0 B12R1.5 CCC(=O)c1ccc(cc1)OC TS11868 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.5 CC[n+]1ccc(cc1)C(=O)OC TS58356 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.5 CCc1ccc(cc1)C(=O)CC TS42487 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.5 CCc1ccc(cc1)C(=O)NN TS11905 [0,0,0,0,0,0|3,0,0]=3 4 B12R1.5 CCc1ccc(cc1)C(=O)OC TS11864 [0,0,0,0,0,0|1,0,0]=1 5 B12R1.5 CNc1ccc(cc1)C(=O)OC TS12013 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.5 COC(=O)c1ccc(cc1)C#C TS42145 [0,0,0,0,0,0|1,0,1]=2 7 B12R1.5 COC(=O)c1ccc(cc1)C#N TS16563 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.5 COC(=O)c1ccc(cc1)C=C TS42431 [0,0,0,0,0,0|1,0,1]=2 9 B12R1.5 COC(=O)c1ccc(cc1)C=O TS93418 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.5 COC(=O)c1ccc(cc1)CBr TS08583 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.5 COC(=O)c1ccc(cc1)CCl TS08584 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.5 COC(=O)c1ccc(cc1)CN TS38169 [0,0,0,0,0,0|2,0,0]=2 13 B12R1.5 COC(=O)c1ccc(cc1)CO TS65237 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.5 COC(=O)c1ccc(cn1)CBr TS24821 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.5 COC(=O)c1ccc(nc1)CCl TS48793 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.5 COC(=O)c1ccc(nc1)CN TS43069 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.5 COC(=O)c1ccc(nc1)CO TS55610 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.5 COC(=O)c1ccc(nn1)NN TS86818 [0,0,0,0,0,0|4,0,0]=4 19 B12R1.5 COC(=O)c1cnc(nc1)SC TS15284 [0,0,0,0,0,0|2,1,0]=3 20 B12R1.5 COc1ccc(cc1)C(=NO)Cl TS15509 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.5 COc1ccc(cc1)C(=O)C#N TS11379 [0,0,0,0,0,0|2,0,0]=2 22 B12R1.5 COc1ccc(cc1)C(=O)C=O TS14914 [0,0,0,0,0,0|2,0,0]=2 23 B12R1.5 COc1ccc(cc1)C(=O)CBr TS08327 [0,0,0,0,0,0|2,0,0]=2 24 B12R1.5 COc1ccc(cc1)C(=O)CCl TS03154 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.5 COc1ccc(cc1)C(=O)CO TS12163 [0,0,0,0,0,0|2,0,0]=2 26 B12R1.5 COc1ccc(cc1)C(=O)NN TS71218 [0,0,0,0,0,0|2,0,0]=2 27 B12R1.5 COc1ccc(cc1)C(=O)OC TS43036 [0,0,0,0,0,0|0,0,0]=0 28 B12R1.5 COc1ccc(cc1)C(=S)SC TS18706 [0,0,0,0,0,0|0,2,0]=2 29 B12R1.5 COc1ccc(cc1)C(CN)O TS38509 [0,0,0,0,0,0|2,0,2]=4 30 B12R1.5 COc1ccc(cc1)[C@H](C#N)O TS42565 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.5 COc1ccc(cc1)[C@H](CCl)O TS49006 [0,0,0,0,0,0|2,0,2]=4 32 B12R1.5 COc1ccc(cn1)C(=O)OC TS16597 [0,0,0,0,0,0|1,0,0]=1 33 B12R1.5 COc1ccc(nc1)C(=O)OC TS85745 [0,0,0,0,0,0|1,0,0]=1 34 B12R1.5 CSc1ccc(cc1)C(=NO)N TS48300 [0,0,0,0,0,0|3,1,0]=4 35 B12R1.5 c1cc(ccc1C#N)C(=O)C=O TS11112 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.5 c1cc(ccc1C#N)C(=O)CBr TS50405 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.5 c1cc(ccc1C#N)C(=O)CBr TS85467 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.5 c1cc(ccc1C#N)C(=O)NO TS11517 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.3 B(c1ccc(cc1)CC)(O)O TS71107 [1,0,0,0,0,0|2,0,1]=4 40 B11R1.3 B(c1ccc(cc1)OC)(O)O TS93919 [1,0,0,0,0,0|1,0,1]=3 41 B11R1.3 B(c1ccc(cc1)SC)(O)O TS70787 [1,0,0,0,0,0|1,1,1]=4 42 B11R1.3 B(c1ccc(nc1)OC)(O)O TS50971 [1,0,0,0,0,0|2,0,1]=4 43 B11R1.3 C#Cc1ccc(cc1)C(=O)O TS71111 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.3 C=Cc1ccc(cc1)C(=O)O TS71307 [1,0,0,0,0,0|1,0,1]=3 45 B11R1.3 CC(=C)c1ccc(cc1)C=O TS01820 [1,0,0,0,0,0|3,0,0]=4 46 B11R1.3 CC(=O)c1ccc(cc1)C#C TS40168 [1,0,0,0,0,0|1,0,1]=3 47 B11R1.3 CC(=O)c1ccc(cc1)C#N TS39459 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.3 CC(=O)c1ccc(cc1)C=C TS07232 [1,0,0,0,0,0|1,0,1]=3 49 B11R1.3 CC(=O)c1ccc(cc1)C=O TS07425 [1,0,0,0,0,0|2,0,0]=3 50 B11R1.3 CC(=O)c1ccc(cc1)OC TS40842 [1,0,0,0,0,0|0,0,0]=1 51 B11R1.3 CC(=O)c1ccc(cc1)SC TS70785 [1,0,0,0,0,0|0,1,0]=2 52 B11R1.3 CC(=O)c1ccc(cn1)OC TS86710 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.3 CC(=O)c1ccc(nc1)C#N TS03208 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.3 CC(=O)c1ccc(nc1)OC TS22855 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.3 CC(C)c1ccc(cc1)OC TS09911 [1,0,0,0,0,0|1,0,1]=3 56 B11R1.3 CC(c1ccc(cc1)OC)O TS10179 [1,0,0,0,0,0|0,0,2]=3 57 B11R1.3 CCc1ccc(cc1)C(=O)C TS40659 [1,0,0,0,0,0|1,0,0]=2 58 B11R1.3 CCc1ccc(cc1)C(=O)Cl TS12610 [1,0,0,0,0,0|2,0,0]=3 59 B11R1.3 CCc1ccc(cc1)C(=O)N TS40757 [1,0,0,0,0,0|2,0,0]=3 60 B11R1.3 CCc1ccc(cc1)C(=O)O TS40858 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.3 CCc1ccc(cc1)C(=S)N TS12083 [1,0,0,0,0,0|2,1,0]=4 62 B11R1.3 CCc1ccc(cc1)C(C)C TS07509 [1,0,0,0,0,0|2,0,1]=4 63 B11R1.3 CCc1ccc(cc1)N(=O)=O TS10018 [1,0,0,0,0,0|2,0,1]=4 64 B11R1.3 CCc1ccc(cc1)[C@@H](C)N TS07597 [1,0,0,0,0,0|2,0,1]=4 65 B11R1.3 CCc1ccc(cc1)[C@H](C)N TS07612 [1,0,0,0,0,0|2,0,1]=4 66 B11R1.3 CCc1ccc(nc1)C(=O)O TS40993 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.3 CNc1ccc(cc1)C(=O)O TS10016 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] TS10159 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.3 COc1ccc(cc1)C(=N)N TS15734 [1,0,0,0,0,0|2,0,0]=3 70 B11R1.3 COc1ccc(cc1)C(=O)Cl TS00259 [1,0,0,0,0,0|1,0,0]=2 71 B11R1.3 COc1ccc(cc1)C(=O)N TS10033 [1,0,0,0,0,0|1,0,0]=2 72 B11R1.3 COc1ccc(cc1)C(=O)O TS92947 [1,0,0,0,0,0|0,0,0]=1 73 B11R1.3 COc1ccc(cc1)C(=O)[O-] TS51125 [1,0,0,0,0,0|0,0,1]=2 74 B11R1.3 COc1ccc(cc1)C(=S)N TS12413 [1,0,0,0,0,0|1,1,0]=3 75 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] TS41252 [1,0,0,0,0,0|1,0,1]=3 76 B11R1.3 COc1ccc(cn1)C(=O)O TS01098 [1,0,0,0,0,0|1,0,0]=2 77 B11R1.3 COc1ccc(cn1)C(=S)N TS44893 [1,0,0,0,0,0|2,1,0]=4 78 B11R1.3 COc1ccc(cn1)[N+](=O)[O-] TS01097 [1,0,0,0,0,0|2,0,1]=4 79 B11R1.3 COc1ccc(nc1)C(=O)O TS03355 [1,0,0,0,0,0|1,0,0]=2 80 B11R1.3 COc1ncc(cn1)C(=O)O TS41335 [1,0,0,0,0,0|2,0,0]=3 81 B11R1.3 CSc1ccc(cc1)C(=O)O TS44887 [1,0,0,0,0,0|0,1,0]=2 82 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] TS45011 [1,0,0,0,0,0|1,1,1]=4 83 B11R1.3 CSc1ncc(cn1)C(=O)O TS87353 [1,0,0,0,0,0|2,1,0]=4 84 B11R1.3 C[C@@H](c1ccc(cc1)OC)N TS46626 [1,0,0,0,0,0|1,0,1]=3 85 B11R1.3 c1cc(ccc1C#N)C(=O)Cl TS42964 [1,0,0,0,0,0|3,0,0]=4 86 B11R1.3 c1cc(ccc1C#N)C(=O)N TS40391 [1,0,0,0,0,0|3,0,0]=4 87 B11R1.3 c1cc(ccc1C#N)C(=O)O TS03058 [1,0,0,0,0,0|2,0,0]=3 88 B11R1.3 c1cc(ccc1C(=O)O)NN TS41114 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.3 c1cc(ccc1C(=O)O)NN TS50823 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.3 c1cc(ccc1C(=O)O)[Hg]Cl TS79372 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.3 c1cc(ccc1C(=O)[O-])[Hg]O TS79553 [1,0,0,0,0,0|2,0,1]=4 92 B11R1.3 c1cc(ccc1C=O)C(=O)O TS33166 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.3 c1cc(ccc1CBr)C(=O)O TS44637 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.3 c1cc(ccc1CCl)C(=O)Cl TS60030 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.3 c1cc(ccc1CCl)C(=O)O TS12925 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.3 c1cc(ccc1CN)C(=O)N TS09895 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.3 c1cc(ccc1CN)C(=O)O TS16888 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.3 c1cc(ccc1CO)C(=O)O TS10123 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.3 c1cc(ccc1[N+](=O)[O-])ON TS93701 [1,0,0,0,0,0|2,0,1]=4 100 B11R1.3 c1cc(ncc1C(=O)O)C#N TS32671 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.3 c1cc(ncc1C(=O)O)NN TS02276 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [1,0,0,0,0,0|2,0,0]=3 103 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [1,0,0,0,0,0|1,0,0]=2 104 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [1,0,0,0,0,0|2,0,0]=3 105 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [1,0,0,0,0,0|2,0,0]=3 106 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [1,0,0,0,0,0|1,0,0]=2 108 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [1,0,0,0,0,0|2,0,1]=4 109 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [1,0,0,0,0,0|1,0,0]=2 112 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [1,0,0,0,0,0|1,0,1]=3 113 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [1,0,0,0,0,0|1,0,0]=2 114 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [1,0,0,0,0,0|1,0,0]=2 115 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [1,0,0,0,0,0|1,0,0]=2 116 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [1,0,0,0,0,0|1,0,0]=2 117 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [1,0,0,0,0,0|1,0,0]=2 118 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [1,0,0,0,0,0|1,0,0]=2 119 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [1,0,0,0,0,0|0,0,0]=1 120 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [1,0,0,0,0,0|0,0,0]=1 121 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [1,0,0,0,0,0|0,0,0]=1 122 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [1,0,0,0,0,0|2,0,0]=3 124 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [1,0,0,0,0,0|2,0,0]=3 125 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [1,0,0,0,0,0|1,0,0]=2 126 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [1,0,0,0,0,0|2,0,0]=3 127 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [1,0,0,0,0,0|2,0,0]=3 130 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [1,0,0,0,0,0|1,0,0]=2 131 B11R1.22 COC(=O)c1ccc(nn1)Cl TS16595 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.22 COC(=O)c1ccc(nn1)N TS91351 [1,0,0,0,0,0|3,0,0]=4 133 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [1,0,0,0,0,0|2,0,0]=3 134 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [1,0,0,0,0,0|1,0,1]=3 135 B11R1.22 COC(=O)c1cnc(cn1)Cl TS03262 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.22 COC(=O)c1cnc(cn1)Cl TS91500 [1,0,0,0,0,0|3,0,0]=4 137 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [1,0,0,0,0,0|2,0,0]=3 138 B11R1.22 COC(=O)c1cnc(nc1)Cl TS87390 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.22 COC(=O)c1cnc(nc1)N TS89966 [1,0,0,0,0,0|3,0,0]=4 140 B11R1.22 COC(=O)c1ncc(cn1)Br TS89654 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.22 COC(=O)c1ncc(cn1)N TS85632 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.22 COC(=O)c1ncc(cn1)N TS92309 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [1,0,0,0,0,0|2,0,0]=3 144 B11R1.22 Cc1ccc(cc1)C(=NO)N TS09881 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.22 Cc1ccc(cc1)C(=O)C#N TS07079 [1,0,0,0,0,0|2,0,0]=3 146 B11R1.22 Cc1ccc(cc1)C(=O)C=O TS43032 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [1,0,0,0,0,0|2,0,0]=3 148 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [1,0,0,0,0,0|2,0,0]=3 149 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [1,0,0,0,0,0|2,0,0]=3 150 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [1,0,0,0,0,0|2,0,0]=3 151 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [1,0,0,0,0,0|2,0,0]=3 152 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [1,0,0,0,0,0|1,0,0]=2 153 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [1,0,0,0,0,0|2,0,0]=3 154 B11R1.22 Cc1ccc(cc1)C(=O)NO TS10030 [1,0,0,0,0,0|2,0,0]=3 155 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [1,0,0,0,0,0|0,0,0]=1 156 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [1,0,0,0,0,0|1,0,0]=2 157 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [1,0,0,0,0,0|1,0,0]=2 158 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [1,0,0,0,0,0|2,0,0]=3 159 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [1,0,0,0,0,0|2,0,0]=3 160 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [1,0,0,0,0,0|2,0,0]=3 161 B11R1.22 c1cc(ccc1C(=NO)N)O TS41106 [1,0,0,0,0,0|3,0,0]=4 162 B11R1.22 c1cc(ccc1C(=O)C#N)Br TS43721 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.22 c1cc(ccc1C(=O)C#N)Cl TS42963 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.22 c1cc(ccc1C(=O)C#N)F TS59853 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS44288 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.22 c1cc(ccc1C(=O)C=O)Br TS71005 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS15718 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.22 c1cc(ccc1C(=O)C=O)Cl TS44934 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.22 c1cc(ccc1C(=O)C=O)O TS12485 [1,0,0,0,0,0|2,0,0]=3 170 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [1,0,0,0,0,0|3,0,0]=4 172 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [1,0,0,0,0,0|3,0,0]=4 175 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [1,0,0,0,0,0|3,0,0]=4 176 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [1,0,0,0,0,0|3,0,0]=4 177 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [1,0,0,0,0,0|2,0,0]=3 178 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [1,0,0,0,0,0|3,0,0]=4 179 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [1,0,0,0,0,0|3,0,0]=4 182 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [1,0,0,0,0,0|3,0,0]=4 183 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [1,0,0,0,0,0|3,0,0]=4 185 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [1,0,0,0,0,0|2,0,0]=3 190 B11R1.22 c1cc(ccc1C(=O)NO)O TS10287 [1,0,0,0,0,0|2,0,0]=3 191 B11R1.83 CC=Cc1ccc(cc1)OC TS40661 [1,0,0,0,0,0|1,0,0]=2 192 B11R1.83 CCCc1ccc(cc1)OC TS40915 [1,0,0,0,0,0|1,0,1]=3 193 B11R1.83 CCc1ccc(cc1)CNC TS40780 [1,0,0,0,0,0|2,0,1]=4 194 B11R1.83 CCc1ccc(cc1)OCC TS40919 [1,0,0,0,0,0|3,0,0]=4 195 B11R1.83 CNCc1ccc(cc1)OC TS03152 [1,0,0,0,0,0|1,0,1]=3 196 B11R1.83 CNCc1ccc(cc1)OC TS03153 [1,0,0,0,0,0|1,0,1]=3 197 B11R1.83 COc1ccc(cc1)C=CBr TS21449 [1,0,0,0,0,0|2,0,0]=3 198 B11R1.83 COc1ccc(cc1)C=CCl TS44956 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.83 COc1ccc(cc1)CC#N TS39555 [1,0,0,0,0,0|2,0,1]=4 200 B11R1.83 COc1ccc(cc1)CC=C TS07478 [1,0,0,0,0,0|1,0,2]=4 201 B11R1.83 COc1ccc(cc1)CC=O TS09869 [1,0,0,0,0,0|2,0,1]=4 202 B11R1.83 COc1ccc(cc1)CCCl TS12933 [1,0,0,0,0,0|2,0,1]=4 203 B11R1.83 COc1ccc(cc1)CCO TS41151 [1,0,0,0,0,0|2,0,1]=4 204 B11R1.83 COc1ccc(cc1)CNN TS87992 [1,0,0,0,0,0|2,0,1]=4 205 B11R1.83 COc1ccc(cc1)CO[NH3+] TS39583 [1,0,0,0,0,0|1,0,1]=3 206 B11R1.83 COc1ccc(cc1)C[N+]#[C-] TS07349 [1,0,0,0,0,0|1,0,2]=4 207 B11R1.83 COc1ccc(cc1)N=C=O TS40726 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.83 COc1ccc(cc1)N=C=S TS42930 [1,0,0,0,0,0|3,0,0]=4 209 B11R1.83 COc1ccc(cc1)NC=O TS41013 [1,0,0,0,0,0|3,0,0]=4 210 B13R1.36 CC(C(=O)c1ccc(cc1)OC)Br TS00841 [0,1,0,0,0,0|1,0,0]=2 211 B13R1.36 CN(C)P(c1ccc(cc1)OC)Cl TS49329 [0,1,0,0,0,0|3,0,0]=4 212 B13R1.39 COc1ccc(cc1)C(=CO)C=O TS47508 [0,1,0,0,0,0|2,0,0]=3 213 B13R1.39 COc1ccc(cc1)C(=NO)C#N TS46073 [0,1,0,0,0,0|2,0,1]=4 214 B13R1.39 COc1ccc(cc1)C(C=O)C=O TS47522 [0,1,0,0,0,0|2,0,1]=4 215 B13R1.39 COc1ccc(cc1)C(OC)OC TS00236 [0,1,0,0,0,0|0,0,2]=3 216 B13R1.95 COC(=O)c1ccc(cc1Br)CBr TS02315 [0,1,0,0,0,0|2,0,0]=3 217 B13R1.95 COc1ccc(c(c1)F)C(=O)OC TS15242 [0,1,0,0,0,0|0,0,0]=1 218 B13R1.95 COc1ccc(c(c1)N)C(=O)OC TS56245 [0,1,0,0,0,0|0,0,0]=1 219 B13R1.95 COc1ccc(c(c1)O)C(=O)OC TS48233 [0,1,0,0,0,0|0,0,0]=1 220 B13R1.95 Cc1c(cnc(n1)OC)C(=O)OC TS14945 [0,1,0,0,0,0|2,0,0]=3 221 B13R1.95 Cc1cc(ccc1C(=O)OC)OC TS14586 [0,1,0,0,0,0|0,0,0]=1 222 B13R1.139 CCOc1ccc(cc1)C(=O)C#N TS45946 [0,1,0,0,0,0|2,0,0]=3 223 B13R1.139 CCOc1ccc(cc1)C(=O)C=O TS47524 [0,1,0,0,0,0|2,0,0]=3 224 B13R1.139 CCOc1ccc(cc1)C(=O)NN TS16667 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.139 CCOc1ccc(cc1)C(=O)OC TS47891 [0,1,0,0,0,0|0,0,0]=1 226 B13R1.139 COC(=O)c1ccc(cc1)CC#N TS01851 [0,1,0,0,0,0|1,0,1]=3 227 B13R1.139 COC(=O)c1ccc(cc1)CCN TS14403 [0,1,0,0,0,0|1,0,0]=2 228 B13R1.139 COC(=O)c1ccc(cc1)CCN TS44747 [0,1,0,0,0,0|1,0,0]=2 229 B13R1.187 COc1ccc(cc1)S(=O)(=O)C=C TS54035 [0,1,0,0,0,0|2,0,1]=4 230 B13R1.187 COc1ccc(cc1)S(=O)(=O)NN TS19396 [0,1,0,0,0,0|3,0,0]=4 231 B13R1.452 CCCC(=O)c1ccc(cc1)OC TS14242 [0,1,0,0,0,0|1,0,0]=2 232 B13R1.452 CCOC(=O)c1ccc(cc1)C#N TS45940 [0,1,0,0,0,0|2,0,0]=3 233 B13R1.452 CCOC(=O)c1ccc(cc1)C=C TS13858 [0,1,0,0,0,0|1,0,1]=3 234 B13R1.452 CCOC(=O)c1ccc(cc1)CBr TS57821 [0,1,0,0,0,0|2,0,0]=3 235 B13R1.452 CCOC(=O)c1ccc(cc1)CCl TS54124 [0,1,0,0,0,0|2,0,0]=3 236 B13R1.452 CCOC(=O)c1ccc(cc1)CN TS47748 [0,1,0,0,0,0|2,0,0]=3 237 B13R1.452 CCOC(=O)c1ccc(cc1)OC TS47900 [0,1,0,0,0,0|0,0,0]=1 238 B13R1.452 CCOC(=O)c1cnc(nc1)SC TS65606 [0,1,0,0,0,0|2,1,0]=4 239 B13R1.452 CCc1ccc(cc1)C(=O)OCC TS47569 [0,1,0,0,0,0|1,0,0]=2 240 B13R1.452 COc1ccc(cc1)C(=O)CC#N TS13682 [0,1,0,0,0,0|1,0,1]=3 241 B13R1.452 COc1ccc(cc1)C(=O)CCCl TS32934 [0,1,0,0,0,0|1,0,0]=2 242 B13R1.452 COc1ccc(cc1)C(=O)N=C=S TS51649 [0,1,0,0,0,0|1,0,1]=3 243 B13R1.452 COc1ccc(cc1)C(CCO)N TS48102 [0,1,0,0,0,0|2,0,1]=4 244 B13R1.452 COc1ccc(cc1)[C@@H](CCO)N TS14816 [0,1,0,0,0,0|2,0,1]=4 245 B13R1.452 COc1ccc(cc1)[C@H](CCO)N TS48115 [0,1,0,0,0,0|2,0,1]=4 246 B13R1.537 B(c1ccc(cc1)C(=O)NC)(O)O TS14330 [0,1,0,0,0,0|3,0,0]=4 247 B13R1.537 B(c1ccc(cc1)C(=O)OC)(O)O TS94283 [0,1,0,0,0,0|2,0,0]=3 248 B13R1.537 CC(=O)c1ccc(cc1)C(=O)OC TS08589 [0,1,0,0,0,0|1,0,0]=2 249 B13R1.537 CC(C)c1ccc(cc1)C(=O)CBr TS57510 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.537 CC(C)c1ccc(cc1)C(=O)NN TS47577 [0,1,0,0,0,0|3,0,0]=4 251 B13R1.537 CC(C)c1ccc(cc1)C(=O)OC TS14220 [0,1,0,0,0,0|1,0,0]=2 252 B13R1.537 CCC(=O)c1ccc(cc1)[N+](=O)[O-] TS14365 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.537 CN(C)c1ccc(cc1)C(=O)CBr TS26796 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.537 CN(C)c1ccc(cc1)C(=O)NN TS59700 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.537 CN(C)c1ccc(cc1)C(=O)OC TS47747 [0,1,0,0,0,0|1,0,0]=2 256 B13R1.537 CNC(=O)c1ccc(cc1)[N+](=O)[O-] TS47864 [0,1,0,0,0,0|3,0,0]=4 257 B13R1.537 COC(=O)c1ccc(cc1)C(=N)N TS26203 [0,1,0,0,0,0|2,0,0]=3 258 B13R1.537 COC(=O)c1ccc(cc1)C(=O)Cl TS56229 [0,1,0,0,0,0|2,0,0]=3 259 B13R1.537 COC(=O)c1ccc(cc1)C(=O)[O-] TS22400 [0,1,0,0,0,0|2,0,0]=3 260 B13R1.537 COC(=O)c1ccc(cc1)[N+](=O)[O-] TS14746 [0,1,0,0,0,0|2,0,0]=3 261 B13R1.537 COC(=O)c1ccc(nc1)C(=O)O TS71322 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.537 c1cc(ccc1C(=O)ON)[N+](=O)[O-] TS93719 [0,1,0,0,0,0|3,0,0]=4 263 B13R1.3088 CCc1ccc(cc1Br)C(=O)OC TS57816 [0,1,0,0,0,0|1,0,0]=2 264 B13R1.3088 CCc1ccc(cc1I)C(=O)OC TS58062 [0,1,0,0,0,0|1,0,0]=2 265 B13R1.3088 CNc1ccc(cc1Br)C(=O)OC TS61955 [0,1,0,0,0,0|1,0,0]=2 266 B13R1.3088 CNc1ccc(cc1I)C(=O)OC TS58140 [0,1,0,0,0,0|1,0,0]=2 267 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CBr TS29963 [0,1,0,0,0,0|2,0,0]=3 268 B13R1.3088 COC(=O)c1ccc(c(c1)Cl)CN TS37806 [0,1,0,0,0,0|2,0,0]=3 269 B13R1.3088 COC(=O)c1ccc(c(c1)F)C#N TS33069 [0,1,0,0,0,0|2,0,0]=3 270 B13R1.3088 COC(=O)c1ccc(c(c1)F)CBr TS70993 [0,1,0,0,0,0|2,0,0]=3 271 B13R1.3088 COC(=O)c1ccc(c(c1)O)CO TS48237 [0,1,0,0,0,0|2,0,0]=3 272 B13R1.3088 COc1ccc(cc1Br)C(=O)CBr TS60694 [0,1,0,0,0,0|2,0,0]=3 273 B13R1.3088 COc1ccc(cc1Br)C(=O)CO TS27268 [0,1,0,0,0,0|2,0,0]=3 274 B13R1.3088 COc1ccc(cc1Br)C(=O)OC TS39542 [0,1,0,0,0,0|0,0,0]=1 275 B13R1.3088 COc1ccc(cc1Cl)C(=O)OC TS60144 [0,1,0,0,0,0|0,0,0]=1 276 B13R1.3088 COc1ccc(cc1F)C(=O)OC TS15243 [0,1,0,0,0,0|0,0,0]=1 277 B13R1.3088 COc1ccc(cc1I)C(=O)OC TS58249 [0,1,0,0,0,0|0,0,0]=1 278 B13R1.3088 COc1ccc(cc1N)C(=O)OC TS59653 [0,1,0,0,0,0|0,0,0]=1 279 B13R1.3088 COc1ccc(cc1O)C(=O)OC TS56274 [0,1,0,0,0,0|0,0,0]=1 280 B11R0.120 COC(=O)CCC(=C)C(=O)OC TS13138 [0,0,1,0,0,0|1,0,2]=4 281 B13R2.186 COc1ccc(cc1)C2(CC2)N TS11721 [0,0,0,1,0,0|2,0,1]=4 282 B13R2.2130 COc1ccc2c(c1)CCC2=O TS71585 [0,0,0,1,0,0|1,0,0]=2 283 B13R2.2130 COc1ccc2c(c1)CCC2N TS11725 [0,0,0,1,0,0|2,0,1]=4 284 B13R2.2130 COc1ccc2c(c1)CNC2=O TS42562 [0,0,0,1,0,0|1,0,0]=2 285 B13R2.2130 COc1ccc2c(c1)COC2=O TS42698 [0,0,0,1,0,0|0,0,0]=1 286 B13R2.2130 COc1ccc2c(c1)[nH]nc2Cl TS93733 [0,0,0,1,0,0|3,0,0]=4 287 B13R2.2130 COc1ccc2c(c1)no[n+]2[O-] TS12145 [0,0,0,1,0,0|2,0,1]=4 288 B13R2.2130 Cc1c2ccc(cc2[nH]n1)OC TS11558 [0,0,0,1,0,0|3,0,0]=4 289 B13R2.2130 Cc1c2ccc(cc2on1)OC TS11696 [0,0,0,1,0,0|3,0,0]=4 290 B13R2.2130 c1cc2c(cc1C#N)CCC2=O TS41764 [0,0,0,1,0,0|3,0,0]=4 291 B13R2.2130 c1cc2c(cc1C#N)COC2=O TS65156 [0,0,0,1,0,0|2,0,0]=3 292 B13R2.2130 c1cc2c(cc1CN)CNC2=O TS92240 [0,0,0,1,0,0|3,0,0]=4 293 B11R1.44 CCc1cc([nH]n1)C(=O)OC TS70558 [0,0,0,0,1,0|3,0,0]=4 294 B11R1.44 COC(=O)c1cc(sc1)C=O TS56256 [0,0,0,0,1,0|3,0,0]=4 295 B11R1.44 COC(=O)c1ccc(o1)CBr TS22522 [0,0,0,0,1,0|3,0,0]=4 296 B11R1.44 COC(=O)c1ccc(o1)CCl TS45864 [0,0,0,0,1,0|3,0,0]=4 297 B11R1.44 COC(=O)c1ccc(s1)C=O TS45123 [0,0,0,0,1,0|3,0,0]=4 298 B13R1.5 CCC(=O)Nc1ccc(cc1)OC TS47733 [0,0,0,0,0,1|1,0,0]=2 299 B13R1.5 CCC(=O)Oc1ccc(cc1)C=O TS47509 [0,0,0,0,0,1|3,0,0]=4 300 B13R1.5 CCC(=O)Oc1ccc(cc1)OC TS47912 [0,0,0,0,0,1|1,0,0]=2 301 B13R1.5 COC(=O)Cc1ccc(cc1)C#N TS01636 [0,0,0,0,0,1|2,0,0]=3 302 B13R1.5 COc1ccc(cc1)CC(=O)NN TS46546 [0,0,0,0,0,1|2,0,0]=3 303 B13R1.5 COc1ccc(cc1)CC(=O)OC TS14607 [0,0,0,0,0,1|0,0,0]=1 304 B13R1.5 COc1ccc(cc1)NC(=O)CBr TS61957 [0,0,0,0,0,1|2,0,0]=3 305 B13R1.5 COc1ccc(cc1)NC(=O)CCl TS37797 [0,0,0,0,0,1|2,0,0]=3 306 B13R1.5 COc1ccc(cc1)NC(=O)OC TS48078 [0,0,0,0,0,1|0,0,0]=1 307 B13R1.5 COc1ccc(cc1)NC(=S)NN TS18484 [0,0,0,0,0,1|2,1,0]=4 308 B10R0.59 COC(=O)CC=CC(=O)OC TS10942 [1,0,1,0,0,0|1,0,1]=4 309 B10R1.3 C#Cc1ccc(cc1)C=O TS71109 [2,0,0,0,0,0|1,0,1]=4 310 B10R1.3 C=Cc1ccc(cc1)C=O TS93446 [2,0,0,0,0,0|1,0,1]=4 311 B10R1.3 CCc1ccc(cc1)C=C TS36711 [2,0,0,0,0,0|1,0,1]=4 312 B10R1.3 CCc1ccc(cc1)C=O TS36835 [2,0,0,0,0,0|1,0,0]=3 313 B10R1.3 CCc1ccc(cc1)CC TS05932 [2,0,0,0,0,0|1,0,1]=4 314 B10R1.3 CCc1ccc(cc1)CO TS06078 [2,0,0,0,0,0|1,0,1]=4 315 B10R1.3 CCc1ccc(cc1)OC TS06096 [2,0,0,0,0,0|0,0,1]=3 316 B10R1.3 CNc1ccc(cc1)OC TS01939 [2,0,0,0,0,0|1,0,0]=3 317 B10R1.3 COc1ccc(cc1)C#C TS03157 [2,0,0,0,0,0|0,0,2]=4 318 B10R1.3 COc1ccc(cc1)C#N TS07812 [2,0,0,0,0,0|1,0,1]=4 319 B10R1.3 COc1ccc(cc1)C=C TS36841 [2,0,0,0,0,0|0,0,1]=3 320 B10R1.3 COc1ccc(cc1)C=O TS36981 [2,0,0,0,0,0|0,0,0]=2 321 B10R1.3 COc1ccc(cc1)CBr TS03143 [2,0,0,0,0,0|1,0,1]=4 322 B10R1.3 COc1ccc(cc1)CCl TS60060 [2,0,0,0,0,0|1,0,1]=4 323 B10R1.3 COc1ccc(cc1)CN TS03142 [2,0,0,0,0,0|1,0,1]=4 324 B10R1.3 COc1ccc(cc1)CS TS03144 [2,0,0,0,0,0|0,1,1]=4 325 B10R1.3 COc1ccc(cc1)C[Zn+] TS50043 [2,0,0,0,0,0|1,0,1]=4 326 B10R1.3 COc1ccc(cc1)NN TS45874 [2,0,0,0,0,0|2,0,0]=4 327 B10R1.3 COc1ccc(cc1)OC TS07887 [2,0,0,0,0,0|0,0,0]=2 328 B10R1.3 COc1ccc(cc1)SC TS41410 [2,0,0,0,0,0|0,1,0]=3 329 B10R1.3 COc1ccc(cc1)[Mg]Br TS44050 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.3 COc1ccc(cc1)[N+]#N TS50040 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.3 COc1ccc(cc1)[N+]#[C-] TS36751 [2,0,0,0,0,0|1,0,1]=4 332 B10R1.3 COc1ccc(cn1)C=O TS55618 [2,0,0,0,0,0|1,0,0]=3 333 B10R1.3 COc1ccc(cn1)CO TS87332 [2,0,0,0,0,0|1,0,1]=4 334 B10R1.3 COc1ccc(nc1)C=O TS87371 [2,0,0,0,0,0|1,0,0]=3 335 B10R1.3 COc1ccc(nc1)CO TS91157 [2,0,0,0,0,0|1,0,1]=4 336 B10R1.3 COc1ccc(nc1)OC TS94185 [2,0,0,0,0,0|1,0,0]=3 337 B10R1.3 COc1ncc(cn1)C=O TS55436 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.3 CSc1ccc(cc1)C=O TS71245 [2,0,0,0,0,0|0,1,0]=3 339 B10R1.3 CSc1ccc(cc1)CO TS41407 [2,0,0,0,0,0|0,1,1]=4 340 B10R1.3 c1cc(ccc1C=O)C#N TS03056 [2,0,0,0,0,0|2,0,0]=4 341 B10R1.3 c1cc(ccc1C=O)C=O TS36801 [2,0,0,0,0,0|2,0,0]=4 342 B10R1.3 c1cc(ccc1CBr)C=O TS08637 [2,0,0,0,0,0|2,0,0]=4 343 B10R1.13 B(c1ccc(cc1)C)(O)O TS06030 [2,0,0,0,0,0|1,0,1]=4 344 B10R1.13 B(c1ccc(cc1)O)(O)O TS94040 [2,0,0,0,0,0|1,0,1]=4 345 B10R1.13 CC(=C)c1ccc(cc1)Cl TS41219 [2,0,0,0,0,0|2,0,0]=4 346 B10R1.13 CC(=C)c1ccc(cc1)F TS36996 [2,0,0,0,0,0|2,0,0]=4 347 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [2,0,0,0,0,0|1,0,0]=3 348 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [2,0,0,0,0,0|1,0,0]=3 349 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [2,0,0,0,0,0|1,0,0]=3 350 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [2,0,0,0,0,0|1,0,0]=3 351 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [2,0,0,0,0,0|1,0,0]=3 352 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [2,0,0,0,0,0|2,0,0]=4 353 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [2,0,0,0,0,0|1,0,0]=3 354 B10R1.13 CC(=O)c1ccc(nc1)Br TS46737 [2,0,0,0,0,0|2,0,0]=4 355 B10R1.13 CC(=O)c1ccc(nc1)F TS46740 [2,0,0,0,0,0|2,0,0]=4 356 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [2,0,0,0,0,0|1,0,1]=4 357 B10R1.13 CC(C)c1ccc(cc1)O TS06072 [2,0,0,0,0,0|1,0,1]=4 358 B10R1.13 CC(c1ccc(cc1)O)O TS06269 [2,0,0,0,0,0|0,0,2]=4 359 B10R1.13 CS(=O)c1ccc(cc1)Br TS49559 [2,0,0,0,0,0|2,0,0]=4 360 B10R1.13 CS(=O)c1ccc(cc1)Cl TS45877 [2,0,0,0,0,0|2,0,0]=4 361 B10R1.13 CS(=O)c1ccc(cc1)O TS10695 [2,0,0,0,0,0|1,0,0]=3 362 B10R1.13 C[n+]1ccc(cc1)C(=O)O TS13411 [2,0,0,0,0,0|1,0,0]=3 363 B10R1.13 Cc1ccc(cc1)C(=C)C TS36715 [2,0,0,0,0,0|1,0,0]=3 364 B10R1.13 Cc1ccc(cc1)C(=N)N TS12939 [2,0,0,0,0,0|2,0,0]=4 365 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [2,0,0,0,0,0|0,0,0]=2 366 B10R1.13 Cc1ccc(cc1)C(=O)Cl TS01653 [2,0,0,0,0,0|1,0,0]=3 367 B10R1.13 Cc1ccc(cc1)C(=O)N TS36926 [2,0,0,0,0,0|1,0,0]=3 368 B10R1.13 Cc1ccc(cc1)C(=O)O TS39764 [2,0,0,0,0,0|0,0,0]=2 369 B10R1.13 Cc1ccc(cc1)C(=S)N TS41055 [2,0,0,0,0,0|1,1,0]=4 370 B10R1.13 Cc1ccc(cc1)C(C)C TS36855 [2,0,0,0,0,0|1,0,1]=4 371 B10R1.13 Cc1ccc(cc1)C(C)C TS84159 [2,0,0,0,0,0|1,0,1]=4 372 B10R1.13 Cc1ccc(cc1)C(C)N TS46732 [2,0,0,0,0,0|1,0,1]=4 373 B10R1.13 Cc1ccc(cc1)C(C)O TS37018 [2,0,0,0,0,0|0,0,2]=4 374 B10R1.13 Cc1ccc(cc1)N(C)C TS34593 [2,0,0,0,0,0|2,0,0]=4 375 B10R1.13 Cc1ccc(cc1)S(=O)C TS10470 [2,0,0,0,0,0|1,0,0]=3 376 B10R1.13 Cc1ccc(cc1)S(=O)C TS10472 [2,0,0,0,0,0|1,0,0]=3 377 B10R1.13 Cc1ccc(cc1)S(=O)Cl TS45876 [2,0,0,0,0,0|2,0,0]=4 378 B10R1.13 Cc1ccc(cc1)S(=O)N TS10591 [2,0,0,0,0,0|2,0,0]=4 379 B10R1.13 Cc1ccc(cc1)S(=O)N TS10598 [2,0,0,0,0,0|2,0,0]=4 380 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS39762 [2,0,0,0,0,0|1,0,1]=4 381 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS42392 [2,0,0,0,0,0|1,0,1]=4 382 B10R1.13 Cc1ccc(cc1)S(=O)[O-] TS67027 [2,0,0,0,0,0|1,0,1]=4 383 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS00309 [2,0,0,0,0,0|1,0,1]=4 384 B10R1.13 Cc1ccc(cc1)[C@@H](C)N TS06017 [2,0,0,0,0,0|1,0,1]=4 385 B10R1.13 Cc1ccc(cc1)[C@H](C)N TS08092 [2,0,0,0,0,0|1,0,1]=4 386 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] TS37094 [2,0,0,0,0,0|1,0,1]=4 387 B10R1.13 Cc1ccc(cn1)C(=O)C TS03210 [2,0,0,0,0,0|1,0,0]=3 388 B10R1.13 Cc1ccc(cn1)C(=O)N TS06052 [2,0,0,0,0,0|2,0,0]=4 389 B10R1.13 Cc1ccc(cn1)C(=O)O TS01267 [2,0,0,0,0,0|1,0,0]=3 390 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [2,0,0,0,0,0|1,0,0]=3 391 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [2,0,0,0,0,0|1,0,0]=3 392 B10R1.13 Cc1cnc(cn1)C(=O)O TS01145 [2,0,0,0,0,0|2,0,0]=4 393 B10R1.13 Cc1cnc(nc1)C(=O)O TS90420 [2,0,0,0,0,0|2,0,0]=4 394 B10R1.13 Cc1ncc(cn1)C(=O)O TS02452 [2,0,0,0,0,0|2,0,0]=4 395 B10R1.13 c1c(cnc(n1)O)C(=O)O TS86644 [2,0,0,0,0,0|2,0,0]=4 396 B10R1.13 c1c(ncc(n1)O)C(=O)O TS03342 [2,0,0,0,0,0|2,0,0]=4 397 B10R1.13 c1cc(=O)occ1C(=O)O TS06408 [2,0,0,0,0,0|1,0,1]=4 398 B10R1.13 c1cc(ccc1C(=N)N)O TS59618 [2,0,0,0,0,0|2,0,0]=4 399 B10R1.13 c1cc(ccc1C(=O)Cl)Br TS49661 [2,0,0,0,0,0|2,0,0]=4 400 B10R1.13 c1cc(ccc1C(=O)Cl)Cl TS33153 [2,0,0,0,0,0|2,0,0]=4 401 B10R1.13 c1cc(ccc1C(=O)Cl)F TS03086 [2,0,0,0,0,0|2,0,0]=4 402 B10R1.13 c1cc(ccc1C(=O)Cl)I TS07802 [2,0,0,0,0,0|2,0,0]=4 403 B10R1.13 c1cc(ccc1C(=O)N)Br TS18936 [2,0,0,0,0,0|2,0,0]=4 404 B10R1.13 c1cc(ccc1C(=O)N)Cl TS10614 [2,0,0,0,0,0|2,0,0]=4 405 B10R1.13 c1cc(ccc1C(=O)N)F TS37268 [2,0,0,0,0,0|2,0,0]=4 406 B10R1.13 c1cc(ccc1C(=O)N)I TS71195 [2,0,0,0,0,0|2,0,0]=4 407 B10R1.13 c1cc(ccc1C(=O)N)N TS39733 [2,0,0,0,0,0|2,0,0]=4 408 B10R1.13 c1cc(ccc1C(=O)N)O TS71168 [2,0,0,0,0,0|1,0,0]=3 409 B10R1.13 c1cc(ccc1C(=O)O)Br TS09594 [2,0,0,0,0,0|1,0,0]=3 410 B10R1.13 c1cc(ccc1C(=O)O)Cl TS10787 [2,0,0,0,0,0|1,0,0]=3 411 B10R1.13 c1cc(ccc1C(=O)O)F TS03084 [2,0,0,0,0,0|1,0,0]=3 412 B10R1.13 c1cc(ccc1C(=O)O)I TS09716 [2,0,0,0,0,0|1,0,0]=3 413 B10R1.13 c1cc(ccc1C(=O)O)N TS08869 [2,0,0,0,0,0|1,0,0]=3 414 B10R1.13 c1cc(ccc1C(=O)O)N TS13413 [2,0,0,0,0,0|1,0,0]=3 415 B10R1.13 c1cc(ccc1C(=O)O)O TS09131 [2,0,0,0,0,0|0,0,0]=2 416 B10R1.13 c1cc(ccc1C(=O)O)S TS39758 [2,0,0,0,0,0|0,1,0]=3 417 B10R1.13 c1cc(ccc1C(=O)[O-])Cl TS14298 [2,0,0,0,0,0|1,0,1]=4 418 B10R1.13 c1cc(ccc1C(=O)[O-])F TS11488 [2,0,0,0,0,0|1,0,1]=4 419 B10R1.13 c1cc(ccc1C(=O)[O-])N TS58696 [2,0,0,0,0,0|1,0,1]=4 420 B10R1.13 c1cc(ccc1C(=O)[O-])O TS42110 [2,0,0,0,0,0|0,0,1]=3 421 B10R1.13 c1cc(ccc1C(=O)[O-])O TS46099 [2,0,0,0,0,0|0,0,1]=3 422 B10R1.13 c1cc(ccc1C(=S)N)O TS03140 [2,0,0,0,0,0|1,1,0]=4 423 B10R1.13 c1cc(ccc1Cl)[Se](=O)O TS50375 [2,0,0,0,0,0|2,0,0]=4 424 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS06354 [2,0,0,0,0,0|1,0,1]=4 425 B10R1.13 c1cc(ccc1[N+](=O)[O-])O TS92945 [2,0,0,0,0,0|1,0,1]=4 426 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [2,0,0,0,0,0|2,0,0]=4 427 B10R1.13 c1cc(ncc1C(=O)O)Br TS16472 [2,0,0,0,0,0|2,0,0]=4 428 B10R1.13 c1cc(ncc1C(=O)O)Cl TS55579 [2,0,0,0,0,0|2,0,0]=4 429 B10R1.13 c1cc(ncc1C(=O)O)F TS01231 [2,0,0,0,0,0|2,0,0]=4 430 B10R1.13 c1cc(ncc1C(=O)O)N TS01208 [2,0,0,0,0,0|2,0,0]=4 431 B10R1.13 c1cc(ncc1C(=O)O)N TS45868 [2,0,0,0,0,0|2,0,0]=4 432 B10R1.13 c1cc(ncc1C(=O)O)O TS87251 [2,0,0,0,0,0|1,0,0]=3 433 B10R1.13 c1cc(ncc1C(=O)O)S TS41509 [2,0,0,0,0,0|1,1,0]=4 434 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [2,0,0,0,0,0|2,0,0]=4 435 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [2,0,0,0,0,0|2,0,0]=4 436 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [2,0,0,0,0,0|2,0,0]=4 437 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [2,0,0,0,0,0|2,0,0]=4 438 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [2,0,0,0,0,0|1,0,0]=3 439 B10R1.13 c1cc(nnc1C(=O)O)O TS88093 [2,0,0,0,0,0|2,0,0]=4 440 B10R1.13 c1cn(=O)ccc1C(=O)O TS39932 [2,0,0,0,0,0|1,0,1]=4 441 B10R1.1 CCCc1ccc(cc1)C TS05929 [2,0,0,0,0,0|1,0,1]=4 442 B10R1.1 CCCc1ccc(cc1)O TS06088 [2,0,0,0,0,0|1,0,1]=4 443 B10R1.1 CCNc1ccc(cc1)C TS36952 [2,0,0,0,0,0|2,0,0]=4 444 B10R1.1 CCOc1ccc(cc1)C TS06082 [2,0,0,0,0,0|2,0,0]=4 445 B10R1.1 CCOc1ccc(cc1)O TS06257 [2,0,0,0,0,0|2,0,0]=4 446 B10R1.1 COCc1ccc(cc1)F TS37375 [2,0,0,0,0,0|1,0,1]=4 447 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [2,0,0,0,0,0|2,0,0]=4 448 B10R1.1 Cc1ccc(cc1)CNC TS01603 [2,0,0,0,0,0|1,0,1]=4 449 B10R1.15 CC=C(C)c1ccccc1 TS36697 [2,0,0,0,0,0|2,0,0]=4 450 B10R1.15 CCC(=C)c1ccccc1 TS36703 [2,0,0,0,0,0|2,0,0]=4 451 B10R1.15 CCC(=O)c1ccccc1 TS00059 [2,0,0,0,0,0|1,0,0]=3 452 B10R1.15 CCC(=O)c1ccccn1 TS36934 [2,0,0,0,0,0|2,0,0]=4 453 B10R1.15 CCC(=O)c1cccnc1 TS36927 [2,0,0,0,0,0|2,0,0]=4 454 B10R1.15 CCC(=O)c1ccncc1 TS36919 [2,0,0,0,0,0|2,0,0]=4 455 B10R1.15 CNC(=O)c1ccccc1 TS01597 [2,0,0,0,0,0|1,0,0]=3 456 B10R1.15 CNC(=O)c1cccnc1 TS06060 [2,0,0,0,0,0|2,0,0]=4 457 B10R1.15 COC(=N)c1ccccc1 TS45386 [2,0,0,0,0,0|1,0,0]=3 458 B10R1.15 COC(=N)c1ccccn1 TS02314 [2,0,0,0,0,0|2,0,0]=4 459 B10R1.15 COC(=O)N1CC=CC=C1 TS06359 [2,0,0,0,0,0|1,0,1]=4 460 B10R1.15 COC(=O)c1ccccc1 TS00163 [2,0,0,0,0,0|0,0,0]=2 461 B10R1.15 COC(=O)c1ccccn1 TS06161 [2,0,0,0,0,0|1,0,0]=3 462 B10R1.15 COC(=O)c1cccnc1 TS37100 [2,0,0,0,0,0|1,0,0]=3 463 B10R1.15 COC(=O)c1cccnn1 TS90030 [2,0,0,0,0,0|2,0,0]=4 464 B10R1.15 COC(=O)c1ccncc1 TS06163 [2,0,0,0,0,0|1,0,0]=3 465 B10R1.15 COC(=O)c1ccncn1 TS59823 [2,0,0,0,0,0|2,0,0]=4 466 B10R1.15 COC(=O)c1ccnnc1 TS90861 [2,0,0,0,0,0|2,0,0]=4 467 B10R1.15 COC(=O)c1cncnc1 TS01558 [2,0,0,0,0,0|2,0,0]=4 468 B10R1.15 COC(=O)c1ncccn1 TS01557 [2,0,0,0,0,0|2,0,0]=4 469 B10R1.15 COS(=O)c1ccccc1 TS10693 [2,0,0,0,0,0|1,0,0]=3 470 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [2,0,0,0,0,0|2,0,0]=4 471 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [2,0,0,0,0,0|2,0,0]=4 472 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [2,0,0,0,0,0|2,0,0]=4 473 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [2,0,0,0,0,0|2,0,0]=4 474 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [2,0,0,0,0,0|2,0,0]=4 475 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [2,0,0,0,0,0|2,0,0]=4 476 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [2,0,0,0,0,0|2,0,0]=4 477 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [2,0,0,0,0,0|2,0,0]=4 478 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [2,0,0,0,0,0|2,0,0]=4 479 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [2,0,0,0,0,0|2,0,0]=4 480 B12R1.6 CCc1ccc(cc1)S(=O)(=O)O TS15627 [1,1,0,0,0,0|2,0,0]=4 481 B12R1.6 CNc1ccc(cc1)S(=O)(=O)O TS50555 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.6 COc1ccc(cc1)P(=O)(Cl)Cl TS52109 [1,1,0,0,0,0|2,0,0]=4 483 B12R1.6 COc1ccc(cc1)P(=O)(O)O TS50656 [1,1,0,0,0,0|1,0,0]=3 484 B12R1.6 COc1ccc(cc1)S(=O)(=O)Cl TS39760 [1,1,0,0,0,0|1,0,1]=4 485 B12R1.6 COc1ccc(cc1)S(=O)(=O)N TS50554 [1,1,0,0,0,0|1,0,1]=4 486 B12R1.6 COc1ccc(cc1)[Si](C)(C)C TS47976 [1,1,0,0,0,0|1,1,0]=4 487 B12R1.48 B(c1ccc(c(c1)C)OC)(O)O TS71212 [1,1,0,0,0,0|1,0,1]=4 488 B12R1.48 B(c1ccc(c(c1)Cl)OC)(O)O TS48977 [1,1,0,0,0,0|1,0,1]=4 489 B12R1.48 B(c1ccc(c(c1)F)OC)(O)O TS85489 [1,1,0,0,0,0|1,0,1]=4 490 B12R1.48 B(c1ccc(c(c1)N)OC)(O)O TS19640 [1,1,0,0,0,0|1,0,1]=4 491 B12R1.48 CC(=O)c1ccc(c(c1)Br)OC TS60195 [1,1,0,0,0,0|0,0,0]=2 492 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC TS15382 [1,1,0,0,0,0|0,0,0]=2 493 B12R1.48 CC(=O)c1ccc(c(c1)F)OC TS65512 [1,1,0,0,0,0|0,0,0]=2 494 B12R1.48 CC(=O)c1ccc(c(c1)I)OC TS31071 [1,1,0,0,0,0|0,0,0]=2 495 B12R1.48 CC(=O)c1ccc(c(c1)O)OC TS12200 [1,1,0,0,0,0|0,0,0]=2 496 B12R1.48 CC(c1ccc(c(c1)F)OC)N TS45010 [1,1,0,0,0,0|1,0,1]=4 497 B12R1.48 CCc1ccc(cc1Br)C(=O)O TS52793 [1,1,0,0,0,0|1,0,0]=3 498 B12R1.48 CCc1ccc(cc1I)C(=O)O TS31070 [1,1,0,0,0,0|1,0,0]=3 499 B12R1.48 CCc1ccc(cc1N)C(=O)O TS08863 [1,1,0,0,0,0|1,0,0]=3 500 B12R1.48 CCc1ccc(cc1O)C(=O)O TS43034 [1,1,0,0,0,0|1,0,0]=3 501 B12R1.48 CNc1ccc(cc1Br)C(=O)O TS24819 [1,1,0,0,0,0|1,0,0]=3 502 B12R1.48 CNc1ccc(cc1I)C(=O)O TS31198 [1,1,0,0,0,0|1,0,0]=3 503 B12R1.48 CNc1ccc(cc1N)C(=O)O TS12227 [1,1,0,0,0,0|1,0,0]=3 504 B12R1.48 COc1c(cc(cn1)C(=O)O)Cl TS65155 [1,1,0,0,0,0|1,0,0]=3 505 B12R1.48 COc1ccc(cc1Br)C(=N)N TS24663 [1,1,0,0,0,0|2,0,0]=4 506 B12R1.48 COc1ccc(cc1Br)C(=O)O TS09328 [1,1,0,0,0,0|0,0,0]=2 507 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] TS53254 [1,1,0,0,0,0|1,0,1]=4 508 B12R1.48 COc1ccc(cc1Cl)C(=O)O TS15714 [1,1,0,0,0,0|0,0,0]=2 509 B12R1.48 COc1ccc(cc1Cl)[N+](=O)[O-] TS08830 [1,1,0,0,0,0|1,0,1]=4 510 B12R1.48 COc1ccc(cc1F)C(=O)O TS65513 [1,1,0,0,0,0|0,0,0]=2 511 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] TS55345 [1,1,0,0,0,0|1,0,1]=4 512 B12R1.48 COc1ccc(cc1I)C(=O)O TS39441 [1,1,0,0,0,0|0,0,0]=2 513 B12R1.48 COc1ccc(cc1I)[N+](=O)[O-] TS54200 [1,1,0,0,0,0|1,0,1]=4 514 B12R1.48 COc1ccc(cc1N)C(=O)N TS12206 [1,1,0,0,0,0|1,0,0]=3 515 B12R1.48 COc1ccc(cc1N)C(=O)O TS43206 [1,1,0,0,0,0|0,0,0]=2 516 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] TS01096 [1,1,0,0,0,0|1,0,1]=4 517 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] TS19862 [1,1,0,0,0,0|1,0,1]=4 518 B12R1.48 COc1ccc(cc1O)C(=O)O TS44828 [1,1,0,0,0,0|0,0,0]=2 519 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] TS12651 [1,1,0,0,0,0|1,0,1]=4 520 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] TS52156 [1,1,0,0,0,0|1,0,1]=4 521 B12R1.48 COc1ccc(nc1Br)C(=O)O TS53250 [1,1,0,0,0,0|1,0,0]=3 522 B12R1.48 C[C@@H](c1ccc(c(c1)F)OC)N TS45009 [1,1,0,0,0,0|1,0,1]=4 523 B12R1.48 Cc1cc(ccc1C#N)C(=O)O TS11368 [1,1,0,0,0,0|2,0,0]=4 524 B12R1.48 Cc1cc(ccc1OC)C(=O)O TS12189 [1,1,0,0,0,0|0,0,0]=2 525 B12R1.48 Cc1cc(ccc1OC)[N+](=O)[O-] TS12371 [1,1,0,0,0,0|1,0,1]=4 526 B12R1.48 c1cc(c(cc1C(=O)O)F)C#N TS07789 [1,1,0,0,0,0|2,0,0]=4 527 B12R1.48 c1cc(c(cc1C(=O)O)O)C=O TS12141 [1,1,0,0,0,0|2,0,0]=4 528 B12R1.113 B(c1ccc(cc1)COC)(O)O TS42982 [1,1,0,0,0,0|1,0,1]=4 529 B12R1.113 B(c1ccc(cc1)OCC)(O)O TS71100 [1,1,0,0,0,0|1,0,1]=4 530 B12R1.113 CC(=O)c1ccc(cc1)CCBr TS39570 [1,1,0,0,0,0|1,0,0]=3 531 B12R1.113 CC(=O)c1ccc(cc1)CCCl TS15067 [1,1,0,0,0,0|1,0,0]=3 532 B12R1.113 CC(=O)c1ccc(cc1)N=C=O TS11375 [1,1,0,0,0,0|1,0,1]=4 533 B12R1.113 CC(=O)c1ccc(cc1)OCF TS44847 [1,1,0,0,0,0|0,0,0]=2 534 B12R1.113 CCCc1ccc(cc1)C(=O)C TS11598 [1,1,0,0,0,0|1,0,0]=3 535 B12R1.113 CCCc1ccc(cc1)C(=O)Cl TS48367 [1,1,0,0,0,0|2,0,0]=4 536 B12R1.113 CCCc1ccc(cc1)C(=O)N TS11728 [1,1,0,0,0,0|2,0,0]=4 537 B12R1.113 CCCc1ccc(cc1)C(=O)O TS11894 [1,1,0,0,0,0|1,0,0]=3 538 B12R1.113 CCNc1ccc(cc1)C(=O)O TS12030 [1,1,0,0,0,0|1,0,0]=3 539 B12R1.113 CCOc1ccc(cc1)C(=O)C TS42745 [1,1,0,0,0,0|0,0,0]=2 540 B12R1.113 CCOc1ccc(cc1)C(=O)C TS92946 [1,1,0,0,0,0|0,0,0]=2 541 B12R1.113 CCOc1ccc(cc1)C(=O)Cl TS71099 [1,1,0,0,0,0|1,0,0]=3 542 B12R1.113 CCOc1ccc(cc1)C(=O)N TS12024 [1,1,0,0,0,0|1,0,0]=3 543 B12R1.113 CCOc1ccc(cc1)C(=O)O TS12183 [1,1,0,0,0,0|0,0,0]=2 544 B12R1.113 CCOc1ccc(cc1)C(=S)N TS14828 [1,1,0,0,0,0|1,1,0]=4 545 B12R1.113 CCOc1ccc(cc1)[C@@H](C)N TS42940 [1,1,0,0,0,0|1,0,1]=4 546 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] TS43199 [1,1,0,0,0,0|1,0,1]=4 547 B12R1.113 CCSc1ccc(cc1)C(=O)O TS15007 [1,1,0,0,0,0|0,1,0]=3 548 B12R1.113 c1cc(ccc1C(=O)O)N=C=S TS47710 [1,1,0,0,0,0|1,0,1]=4 549 B12R1.113 c1cc(ccc1C(=O)O)NC#N TS42409 [1,1,0,0,0,0|1,0,1]=4 550 B12R1.113 c1cc(ccc1CC#N)C(=O)O TS03062 [1,1,0,0,0,0|1,0,1]=4 551 B12R1.113 c1cc(ccc1CCBr)C(=O)O TS39728 [1,1,0,0,0,0|1,0,0]=3 552 B12R1.113 c1cc(ccc1CCCl)C(=O)O TS48660 [1,1,0,0,0,0|1,0,0]=3 553 B12R1.113 c1cc(ccc1CCN)C(=O)O TS12022 [1,1,0,0,0,0|1,0,0]=3 554 B12R1.113 c1cc(ccc1CCN)C(=O)O TS19273 [1,1,0,0,0,0|1,0,0]=3 555 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O TS93282 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.256 CC(=C)c1ccc(cc1)C(=C)C TS41961 [1,1,0,0,0,0|2,0,0]=4 557 B12R1.256 CC(=O)c1ccc(cc1)C(=O)C TS42446 [1,1,0,0,0,0|1,0,0]=3 558 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O TS02948 [1,1,0,0,0,0|1,0,0]=3 559 B12R1.256 CC(=O)c1ccc(cc1)N(C)C TS33161 [1,1,0,0,0,0|1,0,0]=3 560 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] TS11992 [1,1,0,0,0,0|2,0,0]=4 561 B12R1.256 CC(C)c1ccc(cc1)C(=O)C TS39755 [1,1,0,0,0,0|1,0,0]=3 562 B12R1.256 CC(C)c1ccc(cc1)C(=O)O TS39756 [1,1,0,0,0,0|1,0,0]=3 563 B12R1.256 CC(c1ccc(cc1)C(=O)O)Br TS52782 [1,1,0,0,0,0|1,0,0]=3 564 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS22700 [1,1,0,0,0,0|2,0,0]=4 565 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl TS48491 [1,1,0,0,0,0|2,0,0]=4 566 B12R1.256 CS(=O)c1ccc(cc1)C(=O)O TS15277 [1,1,0,0,0,0|0,1,0]=3 567 B12R1.256 c1cc(ccc1C(=N)N)C(=O)O TS19119 [1,1,0,0,0,0|2,0,0]=4 568 B12R1.256 c1cc(ccc1C(=N)N)C(=O)O TS42708 [1,1,0,0,0,0|2,0,0]=4 569 B12R1.256 c1cc(ccc1C(=O)N)C(=O)O TS11995 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.256 c1cc(ccc1C(=O)O)C(=O)O TS16700 [1,1,0,0,0,0|2,0,0]=4 571 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] TS25699 [1,1,0,0,0,0|2,0,0]=4 572 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] TS60157 [1,1,0,0,0,0|2,0,0]=4 573 B12R1.452 B(c1ccc(cc1C)OC)(O)O TS32643 [1,1,0,0,0,0|1,0,1]=4 574 B12R1.452 B(c1ccc(cc1Cl)OC)(O)O TS55225 [1,1,0,0,0,0|1,0,1]=4 575 B12R1.452 B(c1ccc(cc1F)OC)(O)O TS55338 [1,1,0,0,0,0|1,0,1]=4 576 B12R1.452 CC(=O)c1ccc(cc1F)OC TS55332 [1,1,0,0,0,0|0,0,0]=2 577 B12R1.452 CC(=O)c1ccc(cc1N)OC TS60260 [1,1,0,0,0,0|0,0,0]=2 578 B12R1.452 CC(=O)c1ccc(cc1O)OC TS55390 [1,1,0,0,0,0|0,0,0]=2 579 B12R1.452 CC(C)c1ccc(cc1F)OC TS86089 [1,1,0,0,0,0|1,0,1]=4 580 B12R1.452 COc1cc(c(cn1)C(=O)O)N TS89711 [1,1,0,0,0,0|1,0,0]=3 581 B12R1.452 COc1ccc(c(c1)Br)C(=O)O TS53110 [1,1,0,0,0,0|0,0,0]=2 582 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O TS00891 [1,1,0,0,0,0|0,0,0]=2 583 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl TS55336 [1,1,0,0,0,0|1,0,0]=3 584 B12R1.452 COc1ccc(c(c1)F)C(=O)O TS09296 [1,1,0,0,0,0|0,0,0]=2 585 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] TS02761 [1,1,0,0,0,0|1,0,1]=4 586 B12R1.452 COc1ccc(c(c1)I)[N+](=O)[O-] TS54202 [1,1,0,0,0,0|1,0,1]=4 587 B12R1.452 COc1ccc(c(c1)N)C(=O)N TS08947 [1,1,0,0,0,0|1,0,0]=3 588 B12R1.452 COc1ccc(c(c1)N)C(=O)O TS47402 [1,1,0,0,0,0|0,0,0]=2 589 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] TS03354 [1,1,0,0,0,0|1,0,1]=4 590 B12R1.452 COc1ccc(c(c1)O)C(=O)N TS12369 [1,1,0,0,0,0|1,0,0]=3 591 B12R1.452 COc1ccc(c(c1)O)C(=O)O TS60293 [1,1,0,0,0,0|0,0,0]=2 592 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] TS03353 [1,1,0,0,0,0|1,0,1]=4 593 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O TS46395 [1,1,0,0,0,0|1,0,0]=3 594 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])OC TS39450 [1,1,0,0,0,0|1,0,1]=4 595 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O TS71088 [1,1,0,0,0,0|2,0,0]=4 596 B12R1.9 COS(=O)(=O)c1ccc(cc1)Cl TS20283 [1,1,0,0,0,0|2,0,0]=4 597 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC TS15626 [1,1,0,0,0,0|1,0,0]=3 598 B12R1.9 Cc1ccc(cc1)S(=O)(=O)SC TS38318 [1,1,0,0,0,0|1,1,0]=4 599 B12R1.16 CCCC(=O)c1ccc(cc1)Cl TS48368 [1,1,0,0,0,0|2,0,0]=4 600 B12R1.16 CCCC(=O)c1ccc(cc1)F TS43085 [1,1,0,0,0,0|2,0,0]=4 601 B12R1.16 CCCC(=O)c1ccc(cc1)N TS11723 [1,1,0,0,0,0|2,0,0]=4 602 B12R1.16 CCCC(=O)c1ccc(cc1)O TS42742 [1,1,0,0,0,0|1,0,0]=3 603 B12R1.16 CCOC(=N)c1ccc(cc1)C TS37814 [1,1,0,0,0,0|1,0,0]=3 604 B12R1.16 CCOC(=N)c1ccc(cc1)F TS38502 [1,1,0,0,0,0|2,0,0]=4 605 B12R1.16 CCOC(=N)c1ccc(cc1)O TS38165 [1,1,0,0,0,0|1,0,0]=3 606 B12R1.16 CCOC(=O)c1ccc(cc1)Br TS52789 [1,1,0,0,0,0|1,0,0]=3 607 B12R1.16 CCOC(=O)c1ccc(cc1)C TS11853 [1,1,0,0,0,0|0,0,0]=2 608 B12R1.16 CCOC(=O)c1ccc(cc1)Cl TS15387 [1,1,0,0,0,0|1,0,0]=3 609 B12R1.16 CCOC(=O)c1ccc(cc1)F TS12505 [1,1,0,0,0,0|1,0,0]=3 610 B12R1.16 CCOC(=O)c1ccc(cc1)I TS16559 [1,1,0,0,0,0|1,0,0]=3 611 B12R1.16 CCOC(=O)c1ccc(cc1)N TS19282 [1,1,0,0,0,0|1,0,0]=3 612 B12R1.16 CCOC(=O)c1ccc(cc1)N TS55757 [1,1,0,0,0,0|1,0,0]=3 613 B12R1.16 CCOC(=O)c1ccc(cc1)O TS00084 [1,1,0,0,0,0|0,0,0]=2 614 B12R1.16 CCOC(=O)c1ccc(cc1)O TS15928 [1,1,0,0,0,0|0,0,0]=2 615 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] TS64291 [1,1,0,0,0,0|1,0,0]=3 616 B12R1.16 CCOC(=O)c1ccc(cn1)Br TS71441 [1,1,0,0,0,0|2,0,0]=4 617 B12R1.16 CCOC(=O)c1ccc(cn1)Cl TS48792 [1,1,0,0,0,0|2,0,0]=4 618 B12R1.16 CCOC(=O)c1ccc(cn1)N TS12218 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.16 CCOC(=O)c1ccc(nc1)C TS12006 [1,1,0,0,0,0|1,0,0]=3 620 B12R1.16 CCOC(=O)c1ccc(nc1)C TS87974 [1,1,0,0,0,0|1,0,0]=3 621 B12R1.16 CCOC(=O)c1ccc(nc1)Cl TS55576 [1,1,0,0,0,0|2,0,0]=4 622 B12R1.16 CCOC(=O)c1ccc(nc1)N TS12209 [1,1,0,0,0,0|2,0,0]=4 623 B12R1.16 CCOC(=O)c1ccc(nc1)O TS01239 [1,1,0,0,0,0|1,0,0]=3 624 B12R1.16 CCOC(=O)c1cnc(nc1)C TS91213 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.16 Cc1ccc(cc1)C(=O)CC#N TS11129 [1,1,0,0,0,0|1,0,1]=4 626 B12R1.16 Cc1ccc(cc1)C(=O)CCCl TS48365 [1,1,0,0,0,0|1,0,0]=3 627 B12R1.16 Cc1ccc(cc1)C(=O)N=C=S TS46297 [1,1,0,0,0,0|1,0,1]=4 628 B12R1.16 c1cc(ccc1C(=O)CCCl)Br TS27651 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl TS19513 [1,1,0,0,0,0|2,0,0]=4 630 B12R1.20 CC(=O)C(=O)c1ccc(cc1)Cl TS48347 [1,1,0,0,0,0|2,0,0]=4 631 B12R1.20 CC(C(=O)c1ccc(cc1)Br)Br TS35454 [1,1,0,0,0,0|2,0,0]=4 632 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)Br TS09115 [1,1,0,0,0,0|2,0,0]=4 633 B12R1.20 CC(C(=O)c1ccc(cc1)O)Br TS00838 [1,1,0,0,0,0|1,0,0]=3 634 B12R1.20 CC(C)C(=O)c1ccc(cc1)Cl TS48369 [1,1,0,0,0,0|2,0,0]=4 635 B12R1.20 CC(C)C(=O)c1ccc(cc1)F TS08678 [1,1,0,0,0,0|2,0,0]=4 636 B12R1.20 CN(C)C(=O)c1ccc(cc1)I TS33669 [1,1,0,0,0,0|2,0,0]=4 637 B12R1.20 CN(C)C(=O)c1ccc(cc1)N TS03004 [1,1,0,0,0,0|2,0,0]=4 638 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)O TS64974 [1,1,0,0,0,0|2,0,0]=4 639 B12R1.20 c1cc(ccc1C(=O)C(=O)[O-])O TS50654 [1,1,0,0,0,0|2,0,0]=4 640 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F TS25009 [1,1,0,0,0,0|2,0,0]=4 641 B12R1.367 CCC(=O)c1ccc(c(c1)C)C TS11591 [1,1,0,0,0,0|1,0,0]=3 642 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl TS19511 [1,1,0,0,0,0|2,0,0]=4 643 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)F TS48998 [1,1,0,0,0,0|2,0,0]=4 644 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)N TS48495 [1,1,0,0,0,0|2,0,0]=4 645 B12R1.367 CCC(=O)c1ccc(c(c1)F)F TS45098 [1,1,0,0,0,0|2,0,0]=4 646 B12R1.367 CCC(=O)c1ccc(c(c1)O)O TS12197 [1,1,0,0,0,0|1,0,0]=3 647 B12R1.367 COC(=O)c1cc(c(=O)oc1)Br TS25325 [1,1,0,0,0,0|1,0,1]=4 648 B12R1.367 COC(=O)c1cc(c(cn1)O)O TS91711 [1,1,0,0,0,0|1,0,0]=3 649 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br TS56305 [1,1,0,0,0,0|2,0,0]=4 650 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Cl TS20085 [1,1,0,0,0,0|2,0,0]=4 651 B12R1.367 COC(=O)c1cc(c(nc1)N)Br TS16591 [1,1,0,0,0,0|2,0,0]=4 652 B12R1.367 COC(=O)c1cc(c(nc1)O)O TS92420 [1,1,0,0,0,0|1,0,0]=3 653 B12R1.367 COC(=O)c1ccc(c(c1)Br)F TS65232 [1,1,0,0,0,0|1,0,0]=3 654 B12R1.367 COC(=O)c1ccc(c(c1)Br)I TS22773 [1,1,0,0,0,0|1,0,0]=3 655 B12R1.367 COC(=O)c1ccc(c(c1)Br)N TS02975 [1,1,0,0,0,0|1,0,0]=3 656 B12R1.367 COC(=O)c1ccc(c(c1)Br)O TS53113 [1,1,0,0,0,0|0,0,0]=2 657 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl TS19901 [1,1,0,0,0,0|1,0,0]=3 658 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N TS15518 [1,1,0,0,0,0|1,0,0]=3 659 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O TS15704 [1,1,0,0,0,0|0,0,0]=2 660 B12R1.367 COC(=O)c1ccc(c(c1)F)Br TS56288 [1,1,0,0,0,0|1,0,0]=3 661 B12R1.367 COC(=O)c1ccc(c(c1)F)F TS45413 [1,1,0,0,0,0|1,0,0]=3 662 B12R1.367 COC(=O)c1ccc(c(c1)F)O TS45080 [1,1,0,0,0,0|0,0,0]=2 663 B12R1.367 COC(=O)c1ccc(c(c1)I)Cl TS58672 [1,1,0,0,0,0|1,0,0]=3 664 B12R1.367 COC(=O)c1ccc(c(c1)I)N TS39545 [1,1,0,0,0,0|1,0,0]=3 665 B12R1.367 COC(=O)c1ccc(c(c1)I)O TS02307 [1,1,0,0,0,0|0,0,0]=2 666 B12R1.367 COC(=O)c1ccc(c(c1)N)Br TS65465 [1,1,0,0,0,0|1,0,0]=3 667 B12R1.367 COC(=O)c1ccc(c(c1)N)Cl TS08570 [1,1,0,0,0,0|1,0,0]=3 668 B12R1.367 COC(=O)c1ccc(c(c1)N)N TS08563 [1,1,0,0,0,0|1,0,0]=3 669 B12R1.367 COC(=O)c1ccc(c(c1)N)O TS65231 [1,1,0,0,0,0|0,0,0]=2 670 B12R1.367 COC(=O)c1ccc(c(c1)O)F TS33164 [1,1,0,0,0,0|1,0,0]=3 671 B12R1.367 COC(=O)c1ccc(c(c1)O)I TS02316 [1,1,0,0,0,0|1,0,0]=3 672 B12R1.367 COC(=O)c1ccc(c(c1)O)N TS39548 [1,1,0,0,0,0|1,0,0]=3 673 B12R1.367 COC(=O)c1ccc(c(c1)O)O TS08564 [1,1,0,0,0,0|0,0,0]=2 674 B12R1.367 COC(=O)c1ccc(c(n1)N)Br TS25006 [1,1,0,0,0,0|2,0,0]=4 675 B12R1.367 COC(=O)c1ccc(c(n1)O)O TS88111 [1,1,0,0,0,0|1,0,0]=3 676 B12R1.367 Cc1cc(ccc1Br)C(=O)OC TS56289 [1,1,0,0,0,0|1,0,0]=3 677 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC TS48670 [1,1,0,0,0,0|1,0,0]=3 678 B12R1.367 Cc1cc(ccc1I)C(=O)OC TS16570 [1,1,0,0,0,0|1,0,0]=3 679 B12R1.367 Cc1cc(ccc1N)C(=O)OC TS08592 [1,1,0,0,0,0|1,0,0]=3 680 B12R1.367 Cc1cc(ncc1Br)C(=O)OC TS16789 [1,1,0,0,0,0|2,0,0]=4 681 B12R1.367 Cc1cc(ncc1N)C(=O)OC TS85853 [1,1,0,0,0,0|2,0,0]=4 682 B12R1.367 Cc1ccc(cc1Br)C(=O)OC TS56265 [1,1,0,0,0,0|0,0,0]=2 683 B12R1.367 Cc1ccc(cc1C)C(=O)OC TS11874 [1,1,0,0,0,0|0,0,0]=2 684 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC TS32935 [1,1,0,0,0,0|0,0,0]=2 685 B12R1.367 Cc1ccc(cc1I)C(=O)OC TS31074 [1,1,0,0,0,0|0,0,0]=2 686 B12R1.367 Cc1ccc(cc1N)C(=O)OC TS08571 [1,1,0,0,0,0|0,0,0]=2 687 B12R1.367 Cc1ccc(cc1O)C(=O)OC TS70610 [1,1,0,0,0,0|0,0,0]=2 688 B12R1.367 Cn1cc(ccc1=O)C(=O)OC TS85514 [1,1,0,0,0,0|1,0,1]=4 689 B12R1.367 Cn1ccc(cc1=O)C(=O)OC TS89885 [1,1,0,0,0,0|1,0,0]=3 690 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O TS15720 [1,1,0,0,0,0|2,0,0]=4 691 B12R1.367 c1cc(c(cc1C(=O)NN)O)O TS12503 [1,1,0,0,0,0|2,0,0]=4 692 B12R1.1703 CCC(=O)c1ccc(cc1C)C TS11586 [1,1,0,0,0,0|1,0,0]=3 693 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl TS19507 [1,1,0,0,0,0|2,0,0]=4 694 B12R1.1703 CCC(=O)c1ccc(cc1F)F TS47220 [1,1,0,0,0,0|2,0,0]=4 695 B12R1.1703 CCC(=O)c1ccc(cc1O)Br TS52785 [1,1,0,0,0,0|2,0,0]=4 696 B12R1.1703 CCC(=O)c1ccc(cc1O)N TS12033 [1,1,0,0,0,0|2,0,0]=4 697 B12R1.1703 CCC(=O)c1ccc(cc1O)O TS43045 [1,1,0,0,0,0|1,0,0]=3 698 B12R1.1703 CNC(=O)c1ccc(cc1F)Br TS94070 [1,1,0,0,0,0|2,0,0]=4 699 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N TS91343 [1,1,0,0,0,0|2,0,0]=4 700 B12R1.1703 COC(=O)c1ccc(cc1Br)F TS53412 [1,1,0,0,0,0|1,0,0]=3 701 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl TS56235 [1,1,0,0,0,0|1,0,0]=3 702 B12R1.1703 COC(=O)c1ccc(cc1Cl)F TS16079 [1,1,0,0,0,0|1,0,0]=3 703 B12R1.1703 COC(=O)c1ccc(cc1Cl)O TS08828 [1,1,0,0,0,0|0,0,0]=2 704 B12R1.1703 COC(=O)c1ccc(cc1F)F TS56236 [1,1,0,0,0,0|1,0,0]=3 705 B12R1.1703 COC(=O)c1ccc(cc1F)N TS08590 [1,1,0,0,0,0|1,0,0]=3 706 B12R1.1703 COC(=O)c1ccc(cc1N)Br TS56230 [1,1,0,0,0,0|1,0,0]=3 707 B12R1.1703 COC(=O)c1ccc(cc1N)Cl TS56244 [1,1,0,0,0,0|1,0,0]=3 708 B12R1.1703 COC(=O)c1ccc(cc1O)F TS77151 [1,1,0,0,0,0|1,0,0]=3 709 B12R1.1703 COC(=O)c1ccc(cc1O)N TS60146 [1,1,0,0,0,0|1,0,0]=3 710 B12R1.1703 COC(=O)c1ccc(cc1O)O TS44823 [1,1,0,0,0,0|0,0,0]=2 711 B12R1.1703 COC(=O)c1ccc(nc1N)Cl TS90534 [1,1,0,0,0,0|2,0,0]=4 712 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl TS08587 [1,1,0,0,0,0|2,0,0]=4 713 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Br TS70985 [1,1,0,0,0,0|1,0,0]=3 714 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)Cl TS09665 [1,1,0,0,0,0|1,0,0]=3 715 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br TS56286 [1,1,0,0,0,0|1,0,0]=3 716 B12R1.1703 Cc1cc(ccc1C(=O)OC)N TS32962 [1,1,0,0,0,0|1,0,0]=3 717 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br TS16994 [1,1,0,0,0,0|2,0,0]=4 718 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC TS08554 [1,1,0,0,0,0|0,0,0]=2 719 B12R1.1703 Cc1ccc(c(c1)C)C(=O)CBr TS52465 [1,1,0,0,0,0|2,0,0]=4 720 B12R1.1703 Cc1ccc(c(c1)C)C(=O)OC TS42735 [1,1,0,0,0,0|0,0,0]=2 721 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC TS16574 [1,1,0,0,0,0|0,0,0]=2 722 B12R1.1703 Cc1ccc(c(n1)Br)C(=O)OC TS08369 [1,1,0,0,0,0|1,0,0]=3 723 B12R1.1703 c1cc(c(cc1O)O)C(=O)CBr TS53124 [1,1,0,0,0,0|2,0,0]=4 724 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN TS44835 [1,1,0,0,0,0|2,0,0]=4 725 B12R1.4 CC(=O)Cc1ccc(cc1)OC TS03156 [1,1,0,0,0,0|1,0,1]=4 726 B12R1.4 CC(=O)Nc1ccc(cc1)OC TS42885 [1,1,0,0,0,0|2,0,0]=4 727 B12R1.4 CC(C)Nc1ccc(cc1)OC TS12073 [1,1,0,0,0,0|2,0,0]=4 728 B12R1.4 CC(Cc1ccc(cc1)OC)N TS42953 [1,1,0,0,0,0|1,0,1]=4 729 B12R1.4 C[C@H](Cc1ccc(cc1)OC)N TS12061 [1,1,0,0,0,0|1,0,1]=4 730 B12R1.71 CCNCc1ccc(cc1)OC TS12070 [1,1,0,0,0,0|1,0,1]=4 731 B12R1.71 CNCCc1ccc(cc1)OC TS38183 [1,1,0,0,0,0|1,0,1]=4 732 B12R1.71 CNCCc1ccc(cc1)OC TS59871 [1,1,0,0,0,0|1,0,1]=4 733 B12R1.71 COc1ccc(cc1)C#CCO TS11545 [1,1,0,0,0,0|1,0,1]=4 734 B12R1.71 COc1ccc(cc1)CCCCl TS48683 [1,1,0,0,0,0|1,0,1]=4 735 B12R1.71 COc1ccc(cc1)CCCN TS12074 [1,1,0,0,0,0|1,0,1]=4 736 B12R1.71 COc1ccc(cc1)CCCO TS43106 [1,1,0,0,0,0|1,0,1]=4 737 B12R1.71 COc1ccc(cc1)COC=O TS43035 [1,1,0,0,0,0|0,0,2]=4 738 B12R1.71 COc1ccc(cc1)OCCBr TS25017 [1,1,0,0,0,0|2,0,0]=4 739 B12R1.116 CCOc1ccc(cc1)CNC TS42956 [1,1,0,0,0,0|1,0,1]=4 740 B12R1.116 CCOc1ccc(cc1)OCC TS12252 [1,1,0,0,0,0|2,0,0]=4 741 B12R1.116 COCc1ccc(cc1)COC TS12266 [1,1,0,0,0,0|0,0,1]=3 742 B12R1.359 CC(=O)c1cc([nH]c1)C(=O)OC TS43195 [0,1,0,0,1,0|2,0,0]=4 743 B12R1.608 CCc1cc(c(s1)N)C(=O)OC TS48746 [0,1,0,0,1,0|2,0,0]=4 744 B12R1.608 COc1cc(c(s1)C(=O)OC)O TS50716 [0,1,0,0,1,0|1,0,0]=3 745 B14R1.3 CN(C)C(=O)Cc1ccc(cc1)OC TS17683 [0,1,0,0,0,1|1,0,0]=3 746 B14R1.7 CN(C(=O)c1ccc(cc1)OC)OC TS18060 [0,1,0,0,0,1|2,0,0]=4 747 B14R1.954 CCCC(=O)Oc1ccc(cc1)OC TS17840 [0,1,0,0,0,1|1,0,0]=3 748 B14R1.954 CCOC(=O)Cc1ccc(cc1)OC TS51813 [0,1,0,0,0,1|0,0,0]=2 749 B14R1.954 CCOC(=O)Cc1ccc(cc1)SC TS43858 [0,1,0,0,0,1|0,1,0]=3 750 B14R1.954 CCOC(=O)Nc1ccc(cc1)OC TS18058 [0,1,0,0,0,1|0,0,0]=2 751 B14R1.2879 B(c1ccc(cc1)NC(=O)OC)(O)O TS17985 [0,1,0,0,0,1|2,0,0]=4 752 B14R1.2879 CC(C)c1ccc(cc1)NC(=O)NC TS51518 [0,1,0,0,0,1|2,0,0]=4 753 B14R1.141 CN(C)C(=O)c1ccc(cc1)CCN TS17539 [0,2,0,0,0,0|2,0,0]=4 754 B14R1.212 COc1ccc(cc1)C(=O)C(F)(F)F TS19690 [0,2,0,0,0,0|2,0,0]=4 755 B14R1.6402 CC(C)c1ccc(cc1)C(=O)C(C)C TS51164 [0,2,0,0,0,0|2,0,0]=4 756 B14R1.1128 B(c1ccc(c(c1)Cl)C(=O)OC)(O)O TS44588 [0,2,0,0,0,0|2,0,0]=4 757 B14R1.1128 B(c1ccc(c(c1)F)C(=O)OC)(O)O TS02752 [0,2,0,0,0,0|2,0,0]=4 758 B14R1.1128 COC(=O)c1ccc(cc1Br)[N+](=O)[O-] TS08555 [0,2,0,0,0,0|2,0,0]=4 759 B14R1.1128 COC(=O)c1ccc(cc1Cl)[N+](=O)[O-] TS56248 [0,2,0,0,0,0|2,0,0]=4 760 B14R1.1128 COC(=O)c1ccc(cc1F)[N+](=O)[O-] TS18780 [0,2,0,0,0,0|2,0,0]=4 761 B14R1.1128 COC(=O)c1ccc(cc1N)C(=O)[O-] TS51972 [0,2,0,0,0,0|2,0,0]=4 762 B14R1.2294 COc1c(cc(c(n1)Cl)C(=O)OC)F TS91690 [0,2,0,0,0,0|1,0,0]=3 763 B14R1.2294 COc1cc(c(cc1Br)C(=O)OC)O TS29629 [0,2,0,0,0,0|0,0,0]=2 764 B14R1.2294 COc1cc(c(cc1I)C(=O)OC)O TS76223 [0,2,0,0,0,0|0,0,0]=2 765 B14R1.2294 Cc1cc(c(cc1C(=O)OC)Br)OC TS68233 [0,2,0,0,0,0|0,0,0]=2 766 B14R1.2294 Cc1cc(c(cc1C(=O)OC)I)OC TS75869 [0,2,0,0,0,0|0,0,0]=2 767 B14R1.2334 CCC(=O)c1ccc(cc1OC)OC TS17856 [0,2,0,0,0,0|1,0,0]=3 768 B14R1.2334 COc1ccc(c(c1)CBr)C(=O)OC TS08557 [0,2,0,0,0,0|0,0,0]=2 769 B14R1.2334 COc1ccc(c(c1)OC)C(=O)CBr TS22758 [0,2,0,0,0,0|2,0,0]=4 770 B14R1.2334 COc1ccc(c(c1)OC)C(=O)OC TS53644 [0,2,0,0,0,0|0,0,0]=2 771 B14R1.25 CCOC(=O)c1ccc(cc1)N=C=O TS17276 [0,2,0,0,0,0|1,0,1]=4 772 B14R1.25 CCOC(=O)c1ccc(cc1)N=C=S TS16560 [0,2,0,0,0,0|1,0,1]=4 773 B14R1.25 CCOc1ccc(cc1)C(=O)OCC TS51822 [0,2,0,0,0,0|0,0,0]=2 774 B14R1.65 CCCCc1ccc(cc1)C(=O)OC TS17529 [0,2,0,0,0,0|1,0,0]=3 775 B14R1.65 CCCOc1ccc(cc1)C(=O)NN TS51855 [0,2,0,0,0,0|2,0,0]=4 776 B14R1.65 COC(=O)c1ccc(cc1)C#CCO TS51074 [0,2,0,0,0,0|1,0,0]=3 777 B14R1.65 COC(=O)c1ccc(cc1)OCCBr TS68238 [0,2,0,0,0,0|0,0,0]=2 778 B14R1.65 COC(=O)c1ccc(cc1)OCCO TS18218 [0,2,0,0,0,0|0,0,0]=2 779 B14R1.717 CC(=O)Oc1ccc(cc1)C(=O)OC TS17803 [0,2,0,0,0,0|0,0,0]=2 780 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)NN TS51848 [0,2,0,0,0,0|2,0,0]=4 781 B14R1.717 CC(C)Oc1ccc(cc1)C(=O)OC TS51833 [0,2,0,0,0,0|0,0,0]=2 782 B14R1.717 CC=C(C)c1ccc(cc1)OC(=O)C TS17117 [0,2,0,0,0,0|2,0,0]=4 783 B14R1.717 CCC(=O)c1ccc(cc1)CC(C)C TS51160 [0,2,0,0,0,0|2,0,0]=4 784 B14R1.717 COC(=O)c1ccc(cc1)OC(=O)Cl TS44601 [0,2,0,0,0,0|0,0,1]=3 785 B14R1.717 c1cc(ccc1C(=O)CBr)OC(F)F TS30117 [0,2,0,0,0,0|2,0,0]=4 786 B14R1.718 COC(=O)c1ccc(cc1)C(=O)OC TS32688 [0,2,0,0,0,0|0,0,0]=2 787 B14R1.718 COC(=O)c1ccc(nc1)C(=O)OC TS51982 [0,2,0,0,0,0|1,0,0]=3 788 B14R1.718 COC(=O)c1cnc(cn1)C(=O)OC TS18196 [0,2,0,0,0,0|2,0,0]=4 789 B14R1.6720 CCOc1ccc(cc1Br)C(=O)OC TS68229 [0,2,0,0,0,0|0,0,0]=2 790 B14R1.6720 CCOc1ccc(cc1I)C(=O)OC TS75875 [0,2,0,0,0,0|0,0,0]=2 791 B14R1.3287 CCS(=O)(=O)c1ccc(c(c1)N)OC TS44702 [0,2,0,0,0,0|2,0,0]=4 792 B14R1.2 CC(=O)CC(=O)c1ccc(cc1)OC TS01986 [0,2,0,0,0,0|1,0,0]=3 793 B14R1.610 B(c1ccc(cc1)C(=O)OCC)(O)O TS08038 [0,2,0,0,0,0|2,0,0]=4 794 B14R1.610 CCOC(=O)c1ccc(cc1)C(=O)C TS02949 [0,2,0,0,0,0|1,0,0]=3 795 B14R1.610 CCOC(=O)c1ccc(cc1)N(C)C TS74503 [0,2,0,0,0,0|1,0,0]=3 796 B14R1.610 CCOC(=O)c1ccc(cc1)[N+](=O)[O-] TS33171 [0,2,0,0,0,0|2,0,0]=4 797 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)C#N TS63335 [0,2,0,0,0,0|2,0,0]=4 798 B14R1.628 CCOC(=O)c1ccc(c(c1)Br)OC TS68234 [0,2,0,0,0,0|0,0,0]=2 799 B14R1.628 CCOC(=O)c1ccc(c(c1)Cl)OC TS21789 [0,2,0,0,0,0|0,0,0]=2 800 B14R1.628 CCOC(=O)c1ccc(c(c1)I)OC TS60554 [0,2,0,0,0,0|0,0,0]=2 801 B14R1.628 CCOC(=O)c1ccc(c(c1)N)NC TS59772 [0,2,0,0,0,0|1,0,0]=3 802 B14R1.628 CCOC(=O)c1ccc(c(c1)N)OC TS52029 [0,2,0,0,0,0|0,0,0]=2 803 B14R1.628 CCc1ccc(cc1Br)C(=O)OCC TS29031 [0,2,0,0,0,0|1,0,0]=3 804 B14R1.628 CCc1ccc(cc1I)C(=O)OCC TS74916 [0,2,0,0,0,0|1,0,0]=3 805 B14R1.926 COc1ccc(cc1)C(=O)CCCCl TS21413 [0,2,0,0,0,0|1,0,0]=3 806 B14R1.926 COc1ccc(cc1)C(=O)CSC#N TS39197 [0,2,0,0,0,0|0,1,1]=4 807 B14R1.719 CC(C)(C)c1ccc(cc1)C(=O)OC TS39903 [0,2,0,0,0,0|1,0,0]=3 808 B14R1.719 CCC(=O)c1ccc(cc1)C(C)(C)C TS51168 [0,2,0,0,0,0|2,0,0]=4 809 B14R1.719 COC(=O)c1ccc(cc1)C(F)(F)F TS38545 [0,2,0,0,0,0|2,0,0]=4 810 B14R1.719 COC(=O)c1ccc(cc1)S(=O)(=O)C TS85323 [0,2,0,0,0,0|0,1,0]=3 811 B14R1.719 [B-](c1ccc(cc1)C(=O)OC)(F)(F)F TS26783 [0,2,0,0,0,0|2,0,0]=4 812 B14R1.747 B(c1ccc(cc1N)C(=O)OC)(O)O TS47405 [0,2,0,0,0,0|2,0,0]=4 813 B14R1.747 CC(C)c1ccc(cc1Br)C(=O)OC TS29035 [0,2,0,0,0,0|1,0,0]=3 814 B14R1.747 CC(C)c1ccc(cc1I)C(=O)OC TS74917 [0,2,0,0,0,0|1,0,0]=3 815 B14R1.747 CN(C)c1ccc(cc1Br)C(=O)OC TS29159 [0,2,0,0,0,0|1,0,0]=3 816 B14R1.747 CN(C)c1ccc(cc1I)C(=O)OC TS60463 [0,2,0,0,0,0|1,0,0]=3 817 B14R1.747 COC(=O)c1ccc(c(c1)F)[N+](=O)[O-] TS02763 [0,2,0,0,0,0|2,0,0]=4 818 B14R1.747 COC(=O)c1ccc(c(c1)O)[N+](=O)[O-] TS77149 [0,2,0,0,0,0|2,0,0]=4 819 B14R1.747 Cc1cc(ccc1[N+](=O)[O-])C(=O)OC TS18027 [0,2,0,0,0,0|2,0,0]=4 820 B14R1.1864 CCC(=O)c1ccc(c(c1)OC)OC TS51827 [0,2,0,0,0,0|1,0,0]=3 821 B14R1.1864 COC(=O)c1ccc(c(c1)CBr)C#N TS28554 [0,2,0,0,0,0|2,0,0]=4 822 B14R1.1864 COC(=O)c1ccc(c(c1)CBr)CBr TS61687 [0,2,0,0,0,0|2,0,0]=4 823 B14R1.1864 COc1cc(ccc1CBr)C(=O)OC TS56276 [0,2,0,0,0,0|2,0,0]=4 824 B14R1.1864 COc1ccc(cc1OC)C(=O)CBr TS00835 [0,2,0,0,0,0|2,0,0]=4 825 B14R1.1864 COc1ccc(cc1OC)C(=O)NN TS02555 [0,2,0,0,0,0|2,0,0]=4 826 B14R1.1864 COc1ccc(cc1OC)C(=O)OC TS53645 [0,2,0,0,0,0|0,0,0]=2 827 B14R1.12512 CCC(=O)c1cc(c(c(c1)F)OC)F TS37863 [0,2,0,0,0,0|1,0,0]=3 828 B14R1.12512 COc1c(cc(cc1Cl)C(=O)NN)Cl TS56604 [0,2,0,0,0,0|2,0,0]=4 829 B14R1.12512 COc1c(cc(cc1Cl)C(=O)OC)Cl TS25686 [0,2,0,0,0,0|0,0,0]=2 830 B14R1.12512 COc1c(cc(cc1I)C(=O)NN)I TS69803 [0,2,0,0,0,0|2,0,0]=4 831 B14R1.12512 COc1c(cc(cc1I)C(=O)OC)I TS69802 [0,2,0,0,0,0|0,0,0]=2 832 B12R1.24 Cc1cccc(c1Br)C(=O)OC TS08552 [0,0,1,1,0,0|2,0,0]=4 833 B12R1.24 Cc1cccc(c1N)C(=O)OC TS56246 [0,0,1,1,0,0|2,0,0]=4 834 B12R1.24 Cc1cccc(c1O)C(=O)OC TS59794 [0,0,1,1,0,0|2,0,0]=4 835 B12R1.24 Cn1cccc(c1=O)C(=O)OC TS89492 [0,0,1,1,0,0|2,0,0]=4 836 B12R1.78 COc1ccc(c(c1)OC)C=O TS22990 [0,0,1,1,0,0|2,0,0]=4 837 B12R1.78 COc1ccc(c(n1)OC)C=O TS07704 [0,0,1,1,0,0|2,0,0]=4 838 B12R2.9 COc1ccc(cc1)[C@@H]2CO2 TS40847 [1,0,0,1,0,0|0,0,2]=4 839 B12R2.1384 c1cc2c(cc1C(=O)O)C=C2 TS07171 [1,0,0,1,0,0|1,0,1]=4 840 B12R2.612 Cc1ccc2c(c1)CCC2=O TS55480 [1,0,0,1,0,0|1,0,0]=3 841 B12R2.612 Cc1ccc2c(c1)COC2=O TS07420 [1,0,0,1,0,0|0,0,0]=2 842 B12R2.612 c1c2c(cnc1Cl)C(=O)OC2 TS89827 [1,0,0,1,0,0|2,0,0]=4 843 B12R2.612 c1cc2c(cc1Br)CCC2=O TS71462 [1,0,0,1,0,0|2,0,0]=4 844 B12R2.612 c1cc2c(cc1Br)CNC2=O TS16971 [1,0,0,1,0,0|2,0,0]=4 845 B12R2.612 c1cc2c(cc1Br)COC2=O TS03244 [1,0,0,1,0,0|1,0,0]=3 846 B12R2.612 c1cc2c(cc1Cl)CCC2=O TS09822 [1,0,0,1,0,0|2,0,0]=4 847 B12R2.612 c1cc2c(cc1Cl)CNC2=O TS43277 [1,0,0,1,0,0|2,0,0]=4 848 B12R2.612 c1cc2c(cc1Cl)COC2=O TS44932 [1,0,0,1,0,0|1,0,0]=3 849 B12R2.612 c1cc2c(cc1F)CCC2=O TS71530 [1,0,0,1,0,0|2,0,0]=4 850 B12R2.612 c1cc2c(cc1F)COC2=O TS41090 [1,0,0,1,0,0|1,0,0]=3 851 B12R2.612 c1cc2c(cc1I)CCC2=O TS68075 [1,0,0,1,0,0|2,0,0]=4 852 B12R2.612 c1cc2c(cc1I)COC2=O TS29408 [1,0,0,1,0,0|1,0,0]=3 853 B12R2.612 c1cc2c(cc1N)CCC2=O TS71374 [1,0,0,1,0,0|2,0,0]=4 854 B12R2.612 c1cc2c(cc1N)CNC2=O TS59906 [1,0,0,1,0,0|2,0,0]=4 855 B12R2.612 c1cc2c(cc1N)COC2=O TS40734 [1,0,0,1,0,0|1,0,0]=3 856 B12R2.612 c1cc2c(cc1O)CCC2=O TS71567 [1,0,0,1,0,0|1,0,0]=3 857 B12R2.612 c1cc2c(cc1O)COC2=O TS07650 [1,0,0,1,0,0|0,0,0]=2 858 B12R2.612 c1cc2c(cc1O)OCC2=O TS55600 [1,0,0,1,0,0|2,0,0]=4 859 B12R2.44 COc1ccc2c(c1)CCC2 TS40647 [1,0,0,1,0,0|1,0,1]=4 860 B12R2.44 COc1ccc2c(c1)CCN2 TS71586 [1,0,0,1,0,0|2,0,0]=4 861 B12R2.44 COc1ccc2c(c1)CNC2 TS03348 [1,0,0,1,0,0|1,0,1]=4 862 B12R2.44 COc1ccc2c(c1)non2 TS40822 [1,0,0,1,0,0|2,0,0]=4 863 B12R2.44 COc1ccc2cc[nH]c2c1 TS55616 [1,0,0,1,0,0|2,0,0]=4 864 B12R2.44 COc1ccc2cn[nH]c2c1 TS01249 [1,0,0,1,0,0|2,0,0]=4 865 B14R2.2332 COc1ccc2c(c1)CCC(=O)C2 TS13861 [0,0,0,1,0,1|1,0,0]=3 866 B14R2.2332 COc1ccc2c(c1)CCC(=O)N2 TS14032 [0,0,0,1,0,1|1,0,0]=3 867 B14R2.2332 COc1ccc2c(c1)ccc(=O)[nH]2 TS13676 [0,0,0,1,0,1|1,0,1]=4 868 B14R2.2332 COc1ccc2c(c1)ccc(=O)o2 TS46059 [0,0,0,1,0,1|1,0,1]=4 869 B14R2.3274 COc1ccc2c(c1)C(=O)C(=O)N2 TS13978 [0,0,0,1,0,1|2,0,0]=4 870 B14R2.3304 COc1ccc2c(c1)[nH]c(n2)SC TS51871 [0,0,0,1,0,1|1,1,0]=4 871 B14R2.329 CCc1ccc(cc1)C(=O)C2CC2 TS13536 [0,1,0,1,0,0|2,0,0]=4 872 B14R2.329 COc1ccc(cc1)C(=O)C2CC2 TS46104 [0,1,0,1,0,0|1,0,0]=3 873 B14R2.1815 COc1ccc2c(c1)NC(=O)C2=O TS13998 [0,1,0,1,0,0|2,0,0]=4 874 B14R2.1815 Cn1c(c2ccc(cc2n1)OC)I TS35113 [0,1,0,1,0,0|2,0,0]=4 875 B14R2.1 COc1ccc(cc1)c2ccon2 TS45939 [0,1,0,1,0,0|1,0,1]=4 876 B14R2.152 CNc1c2ccc(cc2[nH]n1)OC TS14041 [0,1,0,1,0,0|2,0,0]=4 877 B14R2.152 COc1ccc2c(c1)[nH]cc2C=O TS45941 [0,1,0,1,0,0|2,0,0]=4 878 B14R2.152 COc1ccc2c(c1)[nH]nc2C=O TS13823 [0,1,0,1,0,0|2,0,0]=4 879 B14R2.1801 COc1ccc2c(c1)CCCC2=O TS64838 [0,1,0,1,0,0|1,0,0]=3 880 B14R2.1801 COc1ccc2c(c1)CCNC2=O TS60099 [0,1,0,1,0,0|1,0,0]=3 881 B14R2.1801 COc1ccc2c(c1)COCC2=O TS14178 [0,1,0,1,0,0|0,0,0]=2 882 B14R2.1801 COc1ccc2c(c1)OCCC2=O TS47503 [0,1,0,1,0,0|1,0,0]=3 883 B14R2.1801 COc1ccc2c(c1)cc[nH]c2=O TS13672 [0,1,0,1,0,0|1,0,1]=4 884 B14R2.966 CCC(=O)c1ccc2c(c1)OCO2 TS47514 [0,1,0,1,0,0|1,0,0]=3 885 B14R2.966 COC(=O)c1ccc2c(c1)CCN2 TS46277 [0,1,0,1,0,0|1,0,0]=3 886 B14R2.966 COC(=O)c1ccc2c(c1)CNC2 TS46266 [0,1,0,1,0,0|1,0,0]=3 887 B14R2.966 COC(=O)c1ccc2c(c1)cc[nH]2 TS59799 [0,1,0,1,0,0|1,0,1]=4 888 B14R2.966 COC(=O)c1ccc2c(c1)cc[nH]2 TS61141 [0,1,0,1,0,0|1,0,1]=4 889 B14R2.966 COC(=O)c1ccc2c(c1)cn[nH]2 TS02055 [0,1,0,1,0,0|1,0,1]=4 890 B14R2.966 COC(=O)c1ccc2c(c1)nns2 TS51799 [0,1,0,1,0,0|1,1,0]=4 891 B14R2.966 COC(=O)c1ccc2c(c1)nsn2 TS51797 [0,1,0,1,0,0|1,1,0]=4 892 B14R2.966 COC(=O)c1ccc2cc[nH]c2c1 TS56321 [0,1,0,1,0,0|1,0,1]=4 893 B14R2.966 COC(=O)c1ccc2cn[nH]c2c1 TS08894 [0,1,0,1,0,0|2,0,0]=4 894 B14R2.966 c1cc2c(cc1C(=O)CBr)CCO2 TS26643 [0,1,0,1,0,0|2,0,0]=4 895 B14R2.966 c1cc2c(cc1C(=O)CBr)OCO2 TS57803 [0,1,0,1,0,0|2,0,0]=4 896 B14R2.966 c1cc2c(cc1C(=O)CCl)CCO2 TS53770 [0,1,0,1,0,0|2,0,0]=4 897 B14R2.966 c1cc2c(cc1C(=O)NN)OCO2 TS47872 [0,1,0,1,0,0|2,0,0]=4 898 B14R2.1812 COc1ccc2c(c1)C(=O)OC2=O TS01141 [0,1,0,1,0,0|0,0,1]=3 899 B14R2.5719 c1cc2c(cc1C(=O)O)COC2=O TS47475 [0,1,0,1,0,0|2,0,0]=4 900 B10R0.46 CC(=CC(=O)OC)C(=O)OC TS10946 [0,0,1,0,1,0|1,0,1]=4 901 B10R0.46 COC(=O)CC(=C)C(=O)OC TS10956 [0,0,1,0,1,0|1,0,1]=4 902 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [1,0,0,0,1,0|2,0,0]=4 903 B10R1.31 CCc1ccc(s1)C(=O)C TS41403 [1,0,0,0,1,0|2,0,0]=4 904 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [1,0,0,0,1,0|2,0,0]=4 905 B10R1.31 COc1cc(on1)C(=O)O TS39312 [1,0,0,0,1,0|2,0,0]=4 906 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [1,0,0,0,1,0|1,1,0]=4 907 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [1,0,0,0,1,0|2,0,0]=4 908 B10R1.14 COC(=O)c1cc(c[nH]1)Br TS56284 [1,0,0,0,1,0|2,0,0]=4 909 B10R1.14 COC(=O)c1cc(c[nH]1)I TS28133 [1,0,0,0,1,0|2,0,0]=4 910 B10R1.14 COC(=O)c1cc(cs1)Br TS87681 [1,0,0,0,1,0|2,0,0]=4 911 B10R1.14 COC(=O)c1cc(cs1)Cl TS89093 [1,0,0,0,1,0|2,0,0]=4 912 B10R1.14 COC(=O)c1cc(cs1)N TS65120 [1,0,0,0,1,0|2,0,0]=4 913 B10R1.14 COC(=O)c1cc(no1)O TS59694 [1,0,0,0,1,0|2,0,0]=4 914 B10R1.14 COC(=O)c1cc(sc1)Br TS88321 [1,0,0,0,1,0|2,0,0]=4 915 B10R1.14 COC(=O)c1cc(sc1)Cl TS90596 [1,0,0,0,1,0|2,0,0]=4 916 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [1,0,0,0,1,0|2,0,0]=4 917 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [1,0,0,0,1,0|2,0,0]=4 918 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [1,0,0,0,1,0|1,0,0]=3 919 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [1,0,0,0,1,0|1,0,0]=3 920 B10R1.14 Cc1cc(no1)C(=O)OC TS37467 [1,0,0,0,1,0|2,0,0]=4 921 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [1,0,0,0,1,0|1,0,0]=3 922 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [1,0,0,0,1,0|1,0,0]=3 923 B10R1.14 Cc1nc(co1)C(=O)OC TS06566 [1,0,0,0,1,0|2,0,0]=4 924 B10R1.14 Cc1nc(co1)C(=O)OC TS41497 [1,0,0,0,1,0|2,0,0]=4 925 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [1,0,0,0,1,0|2,0,0]=4 926 B10R1.14 Cn1cc(nc1)C(=O)OC TS33076 [1,0,0,0,1,0|2,0,0]=4 927 B12R1.49 CCC(=O)Nc1ccc(cc1)Br TS24457 [1,0,0,0,0,1|2,0,0]=4 928 B12R1.49 CCC(=O)Nc1ccc(cc1)N TS42774 [1,0,0,0,0,1|2,0,0]=4 929 B12R1.49 CCC(=O)Nc1ccc(cc1)O TS42901 [1,0,0,0,0,1|1,0,0]=3 930 B12R1.49 CCC(=O)Sc1ccc(cc1)C TS14652 [1,0,0,0,0,1|1,0,0]=3 931 B12R1.49 COC(=O)Cc1ccc(cc1)Br TS56291 [1,0,0,0,0,1|1,0,0]=3 932 B12R1.49 COC(=O)Cc1ccc(cc1)N TS38167 [1,0,0,0,0,1|1,0,0]=3 933 B12R1.49 COC(=O)Cc1ccc(cc1)N TS42886 [1,0,0,0,0,1|1,0,0]=3 934 B12R1.49 COC(=O)Cc1ccc(cc1)O TS12194 [1,0,0,0,0,1|0,0,0]=2 935 B12R1.49 Cc1ccc(cc1)CC(=O)OC TS11880 [1,0,0,0,0,1|0,0,0]=2 936 B12R1.49 Cc1ccc(cc1)NC(=O)CCl TS48483 [1,0,0,0,0,1|2,0,0]=4 937 B12R1.49 Cc1ccc(cc1)SC(=O)CCl TS64957 [1,0,0,0,0,1|2,0,0]=4 938 B12R1.49 c1cc(ccc1CC(=O)NN)O TS43066 [1,0,0,0,0,1|2,0,0]=4 939 B12R1.49 c1cc(ccc1NC(=O)CCl)O TS15525 [1,0,0,0,0,1|2,0,0]=4 940 B12R1.435 CCC(=O)c1cccc(c1)OC TS02826 [0,0,0,0,1,1|1,0,0]=3 941 B12R1.435 COC(=O)c1cc(ccn1)CBr TS24824 [0,0,0,0,1,1|2,0,0]=4 942 B12R1.435 COC(=O)c1cc(cnc1)C#N TS42414 [0,0,0,0,1,1|2,0,0]=4 943 B12R1.435 COC(=O)c1cccc(c1)C#C TS42137 [0,0,0,0,1,1|1,0,1]=4 944 B12R1.435 COC(=O)c1cccc(c1)C#N TS33068 [0,0,0,0,1,1|2,0,0]=4 945 B12R1.435 COC(=O)c1cccc(c1)C=O TS56273 [0,0,0,0,1,1|2,0,0]=4 946 B12R1.435 COC(=O)c1cccc(c1)CBr TS02301 [0,0,0,0,1,1|2,0,0]=4 947 B12R1.435 COC(=O)c1cccc(c1)CCl TS60306 [0,0,0,0,1,1|2,0,0]=4 948 B12R1.435 COC(=O)c1cccc(c1)CN TS19284 [0,0,0,0,1,1|2,0,0]=4 949 B12R1.435 COC(=O)c1ccnc(c1)C#N TS42421 [0,0,0,0,1,1|2,0,0]=4 950 B12R1.435 COC(=O)c1ccnc(c1)CN TS56233 [0,0,0,0,1,1|2,0,0]=4 951 B12R1.435 COc1cc(ccn1)C(=O)OC TS88888 [0,0,0,0,1,1|0,0,0]=2 952 B12R1.435 COc1cc(cnc1)C(=O)OC TS43201 [0,0,0,0,1,1|0,0,0]=2 953 B12R1.435 COc1cccc(c1)C(=O)C#N TS11388 [0,0,0,0,1,1|2,0,0]=4 954 B12R1.435 COc1cccc(c1)C(=O)CBr TS01771 [0,0,0,0,1,1|2,0,0]=4 955 B12R1.435 COc1cccc(c1)C(=O)NN TS43055 [0,0,0,0,1,1|2,0,0]=4 956 B12R1.435 COc1cccc(c1)C(=O)OC TS12177 [0,0,0,0,1,1|0,0,0]=2 957 B12R1.435 COc1cccc(n1)C(=O)OC TS12356 [0,0,0,0,1,1|1,0,0]=3 958 B12R1.435 COc1ccnc(c1)C(=O)NN TS43227 [0,0,0,0,1,1|2,0,0]=4 959 B12R1.435 COc1ccnc(c1)C(=O)OC TS12354 [0,0,0,0,1,1|0,0,0]=2 960 B12R1.435 COc1ccnc(c1)C(=O)OC TS19651 [0,0,0,0,1,1|0,0,0]=2 961 B12R1.435 COc1cncc(n1)C(=N)OC TS43229 [0,0,0,0,1,1|2,0,0]=4 962 B12R1.435 COc1cncc(n1)C(=O)OC TS12502 [0,0,0,0,1,1|1,0,0]=3 963 B14R1.5 CCC(=O)C=Cc1ccc(cc1)OC TS17124 [0,0,0,0,0,2|1,0,0]=3 964 B14R1.5 COC(=O)C=Cc1ccc(cc1)C=O TS71145 [0,0,0,0,0,2|2,0,0]=4 965 B14R1.5 COC(=O)C=Cc1ccc(cc1)CBr TS08560 [0,0,0,0,0,2|2,0,0]=4 966 B14R1.5 COC(=O)C=Cc1ccc(cc1)CCl TS43910 [0,0,0,0,0,2|2,0,0]=4 967 B14R1.5 COC(=O)CCc1ccc(cc1)CN TS51676 [0,0,0,0,0,2|2,0,0]=4 968 B14R1.5 COc1ccc(cc1)C=CC(=O)OC TS16572 [0,0,0,0,0,2|0,0,0]=2 969 B14R1.5 COc1ccc(cc1)CCC(=O)OC TS51830 [0,0,0,0,0,2|0,0,0]=2 970 B14R1.5 COc1ccc(cc1)COC(=O)NN TS18252 [0,0,0,0,0,2|2,0,0]=4