0 B10R1.113 B(c1cccc(n1)C)(O)O TS01271 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.113 B(c1ccnc(c1)C)(O)O TS02447 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.113 B(c1ccnc(c1)C)(O)O TS45686 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.113 CC(=O)c1cc(cnc1)Br TS08180 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.113 CC(=O)c1cc(cnc1)F TS37264 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.113 CC(=O)c1ccc[n+](c1)[O-] TS06167 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.113 CC(=O)c1cccc(c1)Br TS09476 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.113 CC(=O)c1cccc(c1)Cl TS41457 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.113 CC(=O)c1cccc(c1)F TS39433 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 CC(=O)c1cccc(c1)I TS02811 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.113 CC(=O)c1cccc(c1)N TS36932 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.113 CC(=O)c1cccc(c1)O TS70618 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.113 CC(=O)c1cccc(n1)Br TS08250 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.113 CC(=O)c1cccc(n1)Cl TS46739 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.113 CC(=O)c1ccnc(c1)Cl TS08148 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.113 CC(=O)c1ccnc(n1)N TS06171 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.113 CC(C)c1cccc(n1)Cl TS55266 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.113 CC(C)c1cccc(n1)N TS01246 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.113 CN(C)c1ccnc(n1)Cl TS10923 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.113 CN1CC(=CC=C1)C(=O)N TS68775 [0,0,0,0,0,0|4,0,0]=4 20 B10R1.113 C[n+]1cccc(c1)C(=O)N TS45572 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.113 Cc1cc(ccn1)C(=O)C TS01801 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.113 Cc1cc(ccn1)C(=O)O TS37098 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.113 Cc1cc(ccn1)[N+](=O)[O-] TS55417 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.113 Cc1cc(cnc1)C(=O)N TS06051 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.113 Cc1cc(cnc1)C(=O)O TS01159 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.113 Cc1cc(cnc1)C(=O)O TS13412 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.113 Cc1cc(ncn1)C(=O)O TS88119 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.113 Cc1cccc(c1)C(=N)N TS12936 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.113 Cc1cccc(c1)C(=O)C TS01793 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.113 Cc1cccc(c1)C(=O)Cl TS60022 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.113 Cc1cccc(c1)C(=O)N TS36933 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.113 Cc1cccc(c1)C(=O)O TS36985 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.113 Cc1cccc(c1)C(=S)N TS41054 [0,0,0,0,0,0|3,1,0]=4 34 B10R1.113 Cc1cccc(c1)C(C)O TS37016 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.113 Cc1cccc(c1)N(C)C TS36944 [0,0,0,0,0,0|4,0,0]=4 36 B10R1.113 Cc1cccc(c1)N(C)N TS37033 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.113 Cc1cccc(c1)[C@@H](C)N TS45396 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.113 Cc1cccc(c1)[C@H](C)N TS45397 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.113 Cc1cccc(c1)[N+](=O)[O-] TS37092 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.113 Cc1cccc(n1)C(=O)C TS08253 [0,0,0,0,0,0|1,0,0]=1 41 B10R1.113 Cc1cccc(n1)C(C)N TS06109 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] TS55467 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.113 Cc1ccnc(c1)C(=O)C TS32774 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.113 Cc1ccnc(c1)C(=O)O TS37096 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.113 Cc1ccnc(n1)C(=N)N TS86869 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.113 Cc1ccnc(n1)C(=O)O TS90875 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.113 Cc1nccc(n1)C(=O)O TS02451 [0,0,0,0,0,0|1,0,0]=1 48 B10R1.113 c1c(cnnc1Cl)C(=O)O TS90511 [0,0,0,0,0,0|4,0,0]=4 49 B10R1.113 c1c(nc(cn1)Cl)C(=O)O TS55584 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.113 c1c(ncnc1O)C(=O)O TS01241 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl TS56222 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.113 c1cc(cc(c1)Br)C(=O)N TS18933 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.113 c1cc(cc(c1)Br)C(=O)O TS19140 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl TS13612 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.113 c1cc(cc(c1)Cl)C(=O)N TS10611 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.113 c1cc(cc(c1)Cl)C(=O)O TS02028 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.113 c1cc(cc(c1)F)C(=O)Cl TS11079 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.113 c1cc(cc(c1)F)C(=O)N TS37271 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.113 c1cc(cc(c1)F)C(=O)O TS06420 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.113 c1cc(cc(c1)F)C(=O)[O-] TS11490 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.113 c1cc(cc(c1)I)C(=O)Cl TS39446 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.113 c1cc(cc(c1)I)C(=O)N TS62384 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.113 c1cc(cc(c1)I)C(=O)O TS70626 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.113 c1cc(cc(c1)N)C(=O)N TS60003 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.113 c1cc(cc(c1)N)C(=O)O TS13414 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.113 c1cc(cc(c1)N)C(=O)O TS37103 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.113 c1cc(cc(c1)N)C(=O)[O-] TS11098 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.113 c1cc(cc(c1)O)C(=O)N TS70620 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.113 c1cc(cc(c1)O)C(=O)O TS06229 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.113 c1cc(cc(c1)O)C(=O)[O-] TS42112 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.113 c1cc(cc(c1)S)C(=O)O TS41386 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.113 c1cc(nc(c1)Br)C(=N)N TS25961 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.113 c1cc(nc(c1)Br)C(=O)N TS19141 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.113 c1cc(nc(c1)Br)C(=O)O TS16477 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.113 c1cc(nc(c1)Br)[N+](=O)[O-] TS08375 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.113 c1cc(nc(c1)Cl)C(=O)O TS55587 [0,0,0,0,0,0|3,0,0]=3 77 B10R1.113 c1cc(nc(c1)Cl)[N+](=O)[O-] TS00941 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.113 c1cc(nc(c1)F)C(=O)O TS01235 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.113 c1cc(nc(c1)I)C(=O)N TS62507 [0,0,0,0,0,0|3,0,0]=3 80 B10R1.113 c1cc(nc(c1)I)C(=O)O TS27851 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.113 c1cc(nc(c1)N)C(=O)O TS01213 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.113 c1cc(nc(c1)O)C(=O)O TS01240 [0,0,0,0,0,0|3,0,0]=3 83 B10R1.113 c1cc(nc(c1)[N+](=O)[O-])N TS55629 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.113 c1cc(oc(=O)c1)C(=O)O TS06409 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.113 c1cnc(=O)[nH]c1C(=O)O TS06412 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.113 c1cnc(cc1C(=O)Cl)Cl TS46031 [0,0,0,0,0,0|3,0,0]=3 87 B10R1.113 c1cnc(cc1C(=O)N)Br TS00863 [0,0,0,0,0,0|3,0,0]=3 88 B10R1.113 c1cnc(cc1C(=O)N)Cl TS07940 [0,0,0,0,0,0|3,0,0]=3 89 B10R1.113 c1cnc(cc1C(=O)N)N TS06173 [0,0,0,0,0,0|3,0,0]=3 90 B10R1.113 c1cnc(cc1C(=O)O)Br TS55109 [0,0,0,0,0,0|3,0,0]=3 91 B10R1.113 c1cnc(cc1C(=O)O)Cl TS85374 [0,0,0,0,0,0|3,0,0]=3 92 B10R1.113 c1cnc(cc1C(=O)O)F TS01028 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.113 c1cnc(cc1C(=O)O)I TS07726 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.113 c1cnc(cc1C(=O)O)N TS47473 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.113 c1cnc(cc1C(=O)O)O TS06352 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.113 c1cnc(cc1[N+](=O)[O-])Br TS55108 [0,0,0,0,0,0|4,0,0]=4 97 B10R1.113 c1cnc(cc1[N+](=O)[O-])Cl TS00893 [0,0,0,0,0,0|4,0,0]=4 98 B10R1.113 c1cnc(cc1[N+](=O)[O-])F TS94879 [0,0,0,0,0,0|4,0,0]=4 99 B10R1.113 c1cnc(cc1[N+](=O)[O-])N TS71261 [0,0,0,0,0,0|4,0,0]=4 100 B10R1.113 c1cnc(cc1[N+](=O)[O-])O TS06413 [0,0,0,0,0,0|4,0,0]=4 101 B10R1.113 c1cnc(nc1C(=O)N)Cl TS88415 [0,0,0,0,0,0|2,0,0]=2 102 B10R1.113 c1cnc(nc1C(=O)O)Cl TS00961 [0,0,0,0,0,0|2,0,0]=2 103 B9R1.2 C#Cc1ccnc(n1)N TS90922 [1,0,0,0,0,0|1,0,2]=4 104 B9R1.2 CCc1cccc(c1)C TS04835 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.2 CCc1cccc(n1)C TS32466 [1,0,0,0,0,0|1,0,1]=3 106 B9R1.2 CCc1cccc(n1)N TS60098 [1,0,0,0,0,0|2,0,1]=4 107 B9R1.2 CCc1ccnc(c1)Br TS48833 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.2 CCc1ccnc(c1)C TS32469 [1,0,0,0,0,0|1,0,1]=3 109 B9R1.2 CCc1ccnc(c1)N TS71108 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.2 CNc1cccc(n1)Cl TS94212 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.2 CNc1ccnc(n1)Cl TS40122 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.2 CNc1ccnc(n1)N TS05024 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.2 COc1cccc(n1)Br TS08366 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.2 COc1cccc(n1)Cl TS55270 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.2 COc1cccc(n1)I TS56597 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.2 COc1cccc(n1)O TS05074 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.2 COc1ccnc(c1)Br TS08328 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.2 COc1ccnc(c1)Cl TS55226 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.2 COc1ccnc(c1)N TS47406 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.2 COc1ccnc(n1)Cl TS55227 [1,0,0,0,0,0|2,0,0]=3 121 B9R1.2 COc1ccnc(n1)I TS01070 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.2 COc1ccnc(n1)N TS47407 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.2 CSc1ccnc(c1)Cl TS11198 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.2 CSc1ccnc(n1)Cl TS11338 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.2 Cc1cc(ccn1)C#N TS04726 [1,0,0,0,0,0|2,0,1]=4 126 B9R1.2 Cc1cc(ccn1)C=O TS02448 [1,0,0,0,0,0|1,0,0]=2 127 B9R1.2 Cc1cc(cnc1)C=O TS01158 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,0,0,0,0,0|2,0,1]=4 129 B9R1.2 Cc1cccc(c1)NC TS32467 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.2 Cc1cccc(c1)OC TS32509 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.2 Cc1cccc(n1)C#N TS55295 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.2 Cc1cccc(n1)C=C TS04794 [1,0,0,0,0,0|1,0,1]=3 133 B9R1.2 Cc1cccc(n1)C=O TS85261 [1,0,0,0,0,0|1,0,0]=2 134 B9R1.2 Cc1cccc(n1)CBr TS30360 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.2 Cc1cccc(n1)CBr TS48832 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.2 Cc1cccc(n1)CCl TS46378 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.2 Cc1cccc(n1)CN TS01962 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.2 Cc1cccc(n1)CO TS04961 [1,0,0,0,0,0|1,0,2]=4 139 B9R1.2 Cc1cccc(n1)OC TS00087 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.2 Cc1ccnc(c1)C=O TS03178 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.2 Cc1ccnc(n1)C=O TS90032 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.2 Cc1ccnc(n1)SC TS85152 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.2 Cc1nccc(n1)C=O TS02450 [1,0,0,0,0,0|0,0,0]=1 144 B9R1.2 c1c(nc(cn1)Cl)C=O TS87072 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.2 c1cc(nc(c1)Br)C=O TS16476 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.2 c1cc(nc(c1)Cl)C=O TS55586 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.2 c1cc(nc(c1)F)C=O TS55360 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.2 c1cnc(cc1C=O)Br TS00862 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.2 c1cnc(cc1C=O)Cl TS55217 [1,0,0,0,0,0|2,0,0]=3 157 B9R1.2 c1cnc(cc1C=O)F TS01027 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.2 c1cnc(cc1C=O)N TS32497 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.2 c1cnc(cc1C=O)O TS55404 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.2 c1cnc(nc1C#N)Cl TS37310 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.2 c1cnc(nc1C=O)Cl TS87068 [1,0,0,0,0,0|1,0,0]=2 162 B9R1.2 c1cnc(nc1CN)O TS88742 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.2 c1cnc(nc1NN)Cl TS55219 [1,0,0,0,0,0|3,0,0]=4 164 B9R1.2 c1cnc(nc1NN)O TS55389 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,0,0|3,0,0]=4 166 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,0,0|1,0,0]=2 171 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.6 CC(=O)c1cccnn1 TS87133 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,0,0|1,0,0]=2 174 B9R1.6 CC(=O)c1ccncn1 TS87400 [1,0,0,0,0,0|0,0,0]=1 175 B9R1.6 CC(=O)c1ccnnc1 TS89714 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.6 CC(=O)c1cnccn1 TS55718 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.6 CC(=O)c1ncccn1 TS91588 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.6 CC(C)c1ccccn1 TS32479 [1,0,0,0,0,0|2,0,1]=4 179 B9R1.6 CC(C)c1ccccn1 TS49188 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.6 CC(C)c1ccncc1 TS09132 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.6 CC(c1ccccn1)N TS47025 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.6 CC(c1ccccn1)N TS59503 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.6 CC(c1ccccn1)O TS08930 [1,0,0,0,0,0|1,0,2]=4 184 B9R1.6 CC(c1ccncc1)N TS51965 [1,0,0,0,0,0|2,0,1]=4 185 B9R1.6 CC(c1ccncc1)N TS59574 [1,0,0,0,0,0|2,0,1]=4 186 B9R1.6 CC(c1ccncn1)N TS91641 [1,0,0,0,0,0|1,0,1]=3 187 B9R1.6 CN(C)c1ccccn1 TS04916 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.6 CN(C)c1ccncc1 TS71094 [1,0,0,0,0,0|3,0,0]=4 189 B9R1.6 CN(C)c1ccncc1 TS79663 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.6 CN(C)c1ccncc1 TS93097 [1,0,0,0,0,0|3,0,0]=4 191 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,0,0,0,0,0|1,0,2]=4 192 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,0,0,0,0,0|1,0,2]=4 193 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,0,0,0,0,0|1,0,2]=4 194 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,0,0,0,0,0|1,0,2]=4 195 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [1,0,0,0,0,0|3,0,0]=4 196 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,0,0|3,0,0]=4 197 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,0,0|3,0,0]=4 198 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,0,0|3,0,0]=4 199 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,0,0|3,0,0]=4 201 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,0,0|3,0,0]=4 203 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,0,0|3,0,0]=4 205 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,0,0|3,0,0]=4 206 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,0,0|3,0,0]=4 209 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,0,0|3,0,0]=4 210 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [1,0,0,0,0,0|3,0,0]=4 211 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [1,0,0,0,0,0|2,0,0]=3 212 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [1,0,0,0,0,0|2,1,0]=4 220 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.6 c1cnccc1C(=N)N TS01862 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.6 c1cnccc1C(=O)Cl TS46358 [1,0,0,0,0,0|2,0,0]=3 225 B9R1.6 c1cnccc1C(=O)N TS74511 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.6 c1cnccc1C(=O)O TS01508 [1,0,0,0,0,0|2,0,0]=3 227 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [1,0,0,0,0,0|2,0,0]=3 228 B9R1.6 c1cnccc1C(=S)N TS06294 [1,0,0,0,0,0|2,1,0]=4 229 B9R1.6 c1cnccc1[N+](=O)[O-] TS05008 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.6 c1cncnc1C(=O)O TS90236 [1,0,0,0,0,0|1,0,0]=2 231 B9R1.6 c1cnncc1C(=O)O TS59368 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.21 CC(=O)c1ccc(c(c1)Br)F TS60007 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.21 CC(=O)c1ccc(c(c1)Br)N TS64986 [0,1,0,0,0,0|3,0,0]=4 234 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl TS02537 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F TS02680 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.21 CC(=O)c1ccc(c(c1)Cl)N TS12728 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O TS45230 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.21 CC(=O)c1ccc(c(c1)F)Br TS08979 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl TS07777 [0,1,0,0,0,0|3,0,0]=4 240 B11R1.21 CC(=O)c1ccc(c(c1)F)O TS41343 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl TS12718 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.21 CC(=O)c1ccc(c(c1)N)F TS65466 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.21 CC(=O)c1ccc(c(c1)O)O TS10132 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.21 Cc1cc(ccc1Br)C(=O)N TS44447 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.21 Cc1cc(ccc1Br)C(=O)O TS09586 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.21 Cc1cc(ccc1Cl)C(=O)C TS12619 [0,1,0,0,0,0|2,0,0]=3 247 B11R1.21 Cc1cc(ccc1Cl)C(=O)O TS29440 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.21 Cc1cc(ccc1F)C(=O)C TS10166 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.21 Cc1cc(ccc1F)C(=O)Cl TS45554 [0,1,0,0,0,0|3,0,0]=4 250 B11R1.21 Cc1cc(ccc1F)C(=O)N TS10310 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.21 Cc1cc(ccc1F)C(=O)O TS71120 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.21 Cc1cc(ccc1I)C(=O)O TS07798 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.21 Cc1cc(ccc1N)C(=O)O TS70890 [0,1,0,0,0,0|3,0,0]=4 254 B11R1.21 Cc1cc(ccc1O)C(=O)C TS03116 [0,1,0,0,0,0|2,0,0]=3 255 B11R1.21 Cc1cc(ccc1O)C(=O)O TS32971 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.21 Cc1ccc(cc1Br)C(=O)C TS60336 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.21 Cc1ccc(cc1C)C(=O)C TS07474 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.21 Cc1ccc(cc1C)C(=O)Cl TS44947 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.21 Cc1ccc(cc1C)C(=O)N TS40750 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.21 Cc1ccc(cc1C)C(=O)O TS40862 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.21 Cc1ccc(cc1F)C(=O)C TS02754 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.21 Cc1ccc(cc1O)C(=O)C TS40839 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.21 Cn1c(=O)ccc(n1)C(=O)O TS86196 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.23 CNC(=O)c1ccnc(c1)Br TS44645 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.23 COC(=O)c1cc(nnc1)Cl TS90959 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.23 COC(=O)c1cccc(n1)Br TS16475 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.23 COC(=O)c1cccc(n1)Cl TS34580 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.23 COC(=O)c1cccc(n1)F TS85361 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.23 COC(=O)c1cccc(n1)I TS68680 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.23 COC(=O)c1cccc(n1)N TS01210 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.23 COC(=O)c1ccnc(c1)Br TS00847 [0,1,0,0,0,0|2,0,0]=3 285 B11R1.23 COC(=O)c1ccnc(c1)Cl TS56251 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.23 COC(=O)c1ccnc(c1)F TS32975 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.23 COC(=O)c1ccnc(c1)I TS68679 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.23 COC(=O)c1ccnc(c1)N TS10155 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.23 COC(=O)c1ccnc(n1)Cl TS88958 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.23 COC(=O)c1cncc(n1)Cl TS16593 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.23 COC(=O)c1cncc(n1)N TS01211 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.23 COC(=O)c1nccc(n1)N TS56280 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.23 Cc1cc(ncn1)C(=O)OC TS90103 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.23 Cc1cccc(c1)C(=O)C#N TS07086 [0,1,0,0,0,0|2,0,1]=4 296 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.23 c1cc(nc(c1)I)C(=O)NN TS29873 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.23 c1cnc(cc1C(=O)CBr)Cl TS56563 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.23 c1cnc(cc1C(=O)NN)Cl TS13080 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.23 c1cnc(cc1C(=O)NN)N TS10161 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br TS02193 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.74 CC(=O)c1cc(cc(c1)Cl)Cl TS65783 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F TS09350 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.74 CC(=O)c1cc(cc(c1)F)F TS08667 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.74 CC(=O)c1cc(cc(c1)O)O TS39572 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.74 CC(C)c1cc(nc(n1)N)Cl TS45389 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.74 CC(C)c1cc(nc(n1)N)O TS10319 [0,1,0,0,0,0|2,0,1]=4 317 B11R1.74 CN(C)c1cc(nc(n1)N)F TS10666 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.74 Cc1cc(cc(c1)C(=O)C)C TS65809 [0,1,0,0,0,0|2,0,0]=3 319 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C TS65812 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.74 Cc1cc(cc(c1)C(=O)O)C TS16729 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.74 Cc1cc(cc(c1)F)C(=O)O TS70586 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.74 Cc1cc(cc(c1)N)C(=O)O TS65474 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.74 Cc1cc(cc(n1)C(=O)O)Br TS44774 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.74 Cc1cc(cc(n1)C(=O)O)Cl TS13066 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.74 Cc1cc(cc(n1)C)C(=O)O TS10020 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)Cl TS07938 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O TS00932 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.74 Cc1cc(cc(n1)N)C(=O)O TS88197 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.74 Cc1cc(nc(c1)Cl)C(=O)O TS08424 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.74 Cc1nc(nc(n1)N(C)C)N TS10325 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.74 c1c(cc(nc1Br)Br)C(=O)O TS00696 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)Cl TS43888 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O TS47303 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.74 c1c(cc(nc1F)F)C(=O)O TS11096 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.74 c1c(cc(nc1O)Cl)C(=O)N TS13262 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.74 c1c(cc(nc1O)O)C(=O)O TS10558 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)Cl TS60243 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.155 Cc1cc(ccn1)S(=O)(=O)O TS45611 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.155 Cc1cccc(n1)S(=O)(=O)N TS45468 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.155 Cc1cccc(n1)S(=O)(=O)O TS45610 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.159 CC(=O)c1cccc(c1Cl)Cl TS50849 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.159 CC(=O)c1cccc(c1F)Br TS08677 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.159 CC(=O)c1cccc(c1F)F TS10653 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.159 CC(=O)c1cccc(c1N)O TS41015 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.159 CC(=O)c1cccc(c1O)Cl TS46713 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.159 CC(=O)c1cccc(c1O)N TS94037 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.159 CC(=O)c1cccc(c1O)N TS94220 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.159 CC(=O)c1cccc(c1O)O TS46700 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.159 CC(=O)c1ccnc(c1N)Cl TS46708 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.159 Cc1c(nccc1[N+](=O)[O-])C TS10148 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.159 Cc1cccc(c1Br)C(=O)O TS08307 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.159 Cc1cccc(c1C)C(=O)C TS07466 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.159 Cc1cccc(c1C)C(=O)Cl TS12620 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.159 Cc1cccc(c1C)C(=O)N TS40746 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.159 Cc1cccc(c1C)C(=O)O TS47166 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.159 Cc1cccc(c1Cl)C(=O)O TS55200 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.159 Cc1cccc(c1F)C(=O)N TS10309 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.159 Cc1cccc(c1F)C(=O)O TS08400 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.159 Cc1cccc(c1I)C(=O)O TS29735 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.159 Cc1cccc(c1N)C(=O)O TS47376 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.159 Cc1cccc(c1O)C(=O)O TS10143 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.159 Cc1cccc(c1O)C(=O)[O-] TS13445 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl TS13081 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Br TS85394 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl TS47152 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.159 c1cnc(c(c1C(=O)O)F)Cl TS65040 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.159 c1cnc(c(c1C(=O)O)F)F TS11097 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.159 c1cnc(c(c1C(=O)O)F)I TS30363 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.159 c1cnc(c(c1C(=O)O)I)Br TS77711 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.159 c1cnc(c(c1C(=O)O)O)Cl TS45690 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.167 CC(=O)c1cc(ccc1Br)Br TS31290 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.167 CC(=O)c1cc(ccc1Br)F TS08814 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl TS47257 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.167 CC(=O)c1cc(ccc1Cl)F TS13263 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.167 CC(=O)c1cc(ccc1Cl)N TS12725 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.167 CC(=O)c1cc(ccc1F)Br TS08178 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.167 CC(=O)c1cc(ccc1F)F TS00671 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.167 CC(=O)c1cc(ccc1F)O TS41349 [0,1,0,0,0,0|3,0,0]=4 379 B11R1.167 CC(=O)c1cc(ccc1O)Br TS71430 [0,1,0,0,0,0|3,0,0]=4 380 B11R1.167 CC(=O)c1cc(ccc1O)Cl TS71491 [0,1,0,0,0,0|3,0,0]=4 381 B11R1.167 CC(=O)c1cc(ccc1O)F TS71535 [0,1,0,0,0,0|3,0,0]=4 382 B11R1.167 CC(=O)c1cc(ccc1O)O TS65012 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.167 CN(C)c1c(cnc(n1)Cl)Br TS16985 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.167 Cc1cc(c(cn1)N)C(=O)O TS88670 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.167 Cc1ccc(c(c1)C(=O)C)C TS07477 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.167 Cc1ccc(c(c1)C(=O)C)F TS65414 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.167 Cc1ccc(c(c1)C(=O)Cl)F TS13266 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.167 Cc1ccc(c(c1)C(=O)N)N TS09882 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.167 Cc1ccc(c(c1)C(=O)N)O TS41004 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br TS44641 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.167 Cc1ccc(c(c1)C(=O)O)C TS39633 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl TS00913 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.167 Cc1ccc(c(c1)C(=O)O)F TS01007 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.167 Cc1ccc(c(c1)C(=O)O)I TS01076 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.167 Cc1ccc(c(c1)C(=O)O)N TS93654 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.167 Cc1ccc(c(c1)C(=O)O)O TS39669 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.167 Cc1ccc(c(n1)[N+](=O)[O-])O TS70617 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.167 Cc1ncc(c(n1)C(=O)O)Br TS55452 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.167 c1c(c(cnc1Br)Br)C(=O)O TS34266 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.167 c1c(c(cnc1Br)N)C(=O)O TS85822 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.167 c1c(c(cnc1Cl)Br)C(=O)O TS16984 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.167 c1c(c(cnc1Cl)Cl)C(=O)O TS00661 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.167 c1c(c(cnc1Cl)N)C(=O)O TS71357 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.167 c1c(c(cnc1F)N)C(=O)O TS10650 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.167 c1c(c(nc(n1)N)C(=O)O)Cl TS45693 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS51386 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl TS63216 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl TS39359 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl TS87041 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl TS89991 [0,1,0,0,0,0|3,0,0]=4 411 B11R1.266 CC(=O)c1cccc(c1)C#C TS40169 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.266 CC(=O)c1cccc(c1)C#N TS65829 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.266 CC(=O)c1cccc(c1)CCl TS12614 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.266 CC(=O)c1cccc(c1)OC TS02817 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.266 CC(=O)c1cccc(n1)C=O TS40719 [0,1,0,0,0,0|1,0,1]=3 416 B11R1.266 CC(=O)c1cccc(n1)OC TS08252 [0,1,0,0,0,0|1,0,0]=2 417 B11R1.266 CC(=O)c1ccnc(n1)SC TS44892 [0,1,0,0,0,0|0,0,0]=1 418 B11R1.266 CC(C)c1cccc(n1)OC TS07961 [0,1,0,0,0,0|2,0,1]=4 419 B11R1.266 CCc1cc(ccn1)C(=S)N TS12285 [0,1,0,0,0,0|2,1,0]=4 420 B11R1.266 CCc1cccc(c1)C(=O)C TS07747 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.266 CCc1cccc(c1)C(=O)O TS09865 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.266 CCc1cccc(n1)C(C)C TS40785 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.266 CNc1cccc(c1)C(=O)O TS41001 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.266 CNc1cncc(n1)C(=O)O TS01188 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.266 COc1cc(ccn1)C(=O)N TS41124 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.266 COc1cc(ccn1)C(=O)O TS01107 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.266 COc1cccc(c1)C(=O)Cl TS12911 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.266 COc1cccc(c1)C(=O)N TS10027 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.266 COc1cccc(c1)C(=O)O TS10134 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.266 COc1cccc(n1)C(=O)N TS41105 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.266 COc1cccc(n1)C(=O)O TS55620 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.266 CSc1cccc(c1)C(=O)O TS65713 [0,1,0,0,0,0|3,0,0]=4 433 B11R1.266 CSc1nccc(n1)C(=O)O TS02455 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.266 c1cc(cc(c1)C(=O)Cl)CCl TS09440 [0,1,0,0,0,0|3,0,0]=4 435 B11R1.266 c1cc(cc(c1)C(=O)N)CCl TS02187 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.266 c1cc(cc(c1)C(=O)O)CBr TS09436 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.266 c1cc(cc(c1)C(=O)O)CCl TS09439 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02659 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.266 c1cc(cc(c1)C(=O)O)CN TS02660 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.266 c1cc(cc(c1)C(=O)O)CO TS65706 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.266 c1cc(nc(c1)C(=O)O)CN TS41110 [0,1,0,0,0,0|2,0,0]=3 442 B11R1.266 c1cnc(cc1C(=O)O)C#N TS40597 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.266 c1cnc(cc1C(=O)O)NN TS88062 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.266 c1cnc(cc1[N+](=O)[O-])CCl TS39267 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.266 c1cnc(cc1[N+](=O)[O-])CO TS87354 [0,1,0,0,0,0|3,0,0]=4 446 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [0,0,0,0,1,0|3,0,0]=4 447 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [0,0,0,0,1,0|3,0,0]=4 448 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [0,0,0,0,1,0|3,0,0]=4 449 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [0,0,0,0,1,0|3,0,0]=4 450 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [0,0,0,0,1,0|2,0,0]=3 451 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [0,0,0,0,1,0|2,0,0]=3 452 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [0,0,0,0,1,0|2,0,0]=3 453 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [0,0,0,0,1,0|2,0,0]=3 454 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [0,0,0,0,1,0|2,0,0]=3 455 B9R1.35 CC(=O)c1cnn(c1)C TS46696 [0,0,0,0,1,0|2,0,0]=3 456 B9R1.35 CC(=O)c1csc(n1)N TS37585 [0,0,0,0,1,0|2,0,0]=3 457 B9R1.35 CC(=O)c1ncc(s1)Br TS87763 [0,0,0,0,1,0|3,0,0]=4 458 B9R1.35 CC(=O)c1ncc(s1)Cl TS91945 [0,0,0,0,1,0|3,0,0]=4 459 B9R1.35 Cc1[nH]c(cn1)[N+](=O)[O-] TS55457 [0,0,0,0,1,0|2,0,1]=4 460 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [0,0,0,0,1,0|0,0,1]=2 461 B9R1.35 Cc1[nH]cc(n1)C(=S)N TS37506 [0,0,0,0,1,0|1,1,1]=4 462 B9R1.35 Cc1[nH]cc(n1)[N+](=O)[O-] TS94753 [0,0,0,0,1,0|2,0,1]=4 463 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [0,0,0,0,1,0|3,0,0]=4 464 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [0,0,0,0,1,0|3,0,0]=4 465 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [0,0,0,0,1,0|3,0,0]=4 466 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [0,0,0,0,1,0|2,0,0]=3 467 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [0,0,0,0,1,0|3,0,0]=4 468 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [0,0,0,0,1,0|2,0,0]=3 469 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [0,0,0,0,1,0|3,0,0]=4 470 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [0,0,0,0,1,0|3,0,0]=4 471 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [0,0,0,0,1,0|1,0,1]=3 472 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [0,0,0,0,1,0|1,0,0]=2 473 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [0,0,0,0,1,0|2,0,0]=3 474 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [0,0,0,0,1,0|2,0,0]=3 475 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [0,0,0,0,1,0|1,0,0]=2 476 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [0,0,0,0,1,0|2,0,0]=3 477 B9R1.35 Cc1ccn(n1)C(=O)N TS70674 [0,0,0,0,1,0|2,0,0]=3 478 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [0,0,0,0,1,0|3,0,0]=4 479 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [0,0,0,0,1,0|2,0,0]=3 480 B9R1.35 Cc1csc(n1)C(C)C TS06617 [0,0,0,0,1,0|2,0,1]=4 481 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [0,0,0,0,1,0|2,0,0]=3 482 B9R1.35 Cc1nc(cs1)C(=N)N TS14117 [0,0,0,0,1,0|3,0,0]=4 483 B9R1.35 Cc1nc(cs1)C(=O)N TS02166 [0,0,0,0,1,0|2,0,0]=3 484 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [0,0,0,0,1,0|2,0,0]=3 485 B9R1.35 Cc1nc(cs1)C(C)N TS37630 [0,0,0,0,1,0|2,0,1]=4 486 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [0,0,0,0,1,0|2,0,0]=3 487 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [0,0,0,0,1,0|2,0,0]=3 488 B9R1.35 Cc1nnc(o1)C(=O)O TS29444 [0,0,0,0,1,0|3,0,0]=4 489 B9R1.35 Cn1cc(cn1)C(=O)O TS00049 [0,0,0,0,1,0|3,0,0]=4 490 B9R1.35 Cn1ccc(n1)C(=O)Cl TS40272 [0,0,0,0,1,0|2,0,0]=3 491 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [0,0,0,0,1,0|2,0,0]=3 492 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [0,0,0,0,1,0|2,0,0]=3 493 B9R1.35 Cn1ccc(n1)[N+](=O)[O-] TS05245 [0,0,0,0,1,0|3,0,0]=4 494 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [0,0,0,0,1,0|3,0,0]=4 495 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [0,0,0,0,1,0|3,0,0]=4 496 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [0,0,0,0,1,0|3,0,0]=4 497 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [0,0,0,0,1,0|3,0,0]=4 498 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [0,0,0,0,1,0|3,0,0]=4 499 B9R1.35 c1c(nc(s1)N)C(=O)N TS40075 [0,0,0,0,1,0|3,0,0]=4 500 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [0,0,0,0,1,0|3,0,0]=4 501 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [0,0,0,0,1,0|3,0,0]=4 502 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [0,0,0,0,1,0|3,0,0]=4 503 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [0,0,0,0,1,0|3,0,0]=4 504 B9R1.35 c1cc([nH]c1C(=O)N)Br TS91618 [0,0,0,0,1,0|2,0,1]=4 505 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [0,0,0,0,1,0|3,0,0]=4 506 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [0,0,0,0,1,0|3,0,0]=4 507 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [0,0,0,0,1,0|3,0,0]=4 508 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [0,0,0,0,1,0|3,0,0]=4 509 B9R1.35 c1cc(sc1C(=O)Cl)Cl TS48026 [0,0,0,0,1,0|3,0,0]=4 510 B9R1.35 c1cc(sc1C(=O)N)Cl TS42360 [0,0,0,0,1,0|3,0,0]=4 511 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [0,0,0,0,1,0|3,0,0]=4 512 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [0,0,0,0,1,0|3,0,0]=4 513 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [0,0,0,0,1,0|3,0,0]=4 514 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [0,0,0,0,1,0|3,0,0]=4 515 B9R1.41 CC(=O)c1c(ccs1)Br TS38751 [0,0,0,0,1,0|3,0,0]=4 516 B9R1.41 CC(=O)c1c(ccs1)Cl TS42249 [0,0,0,0,1,0|3,0,0]=4 517 B9R1.41 CC(=O)c1c(ccs1)N TS47344 [0,0,0,0,1,0|3,0,0]=4 518 B9R1.41 CC(=O)c1cccn1C TS04953 [0,0,0,0,1,0|2,0,0]=3 519 B9R1.41 CC(=O)c1nccn1C TS86142 [0,0,0,0,1,0|3,0,0]=4 520 B9R1.41 Cc1c([nH]cn1)C(=S)S TS11043 [0,0,0,0,1,0|2,1,0]=4 521 B9R1.41 Cc1c(c[nH]n1)C(=O)O TS05143 [0,0,0,0,1,0|2,0,0]=3 522 B9R1.41 Cc1c(c[nH]n1)[N+](=O)[O-] TS05243 [0,0,0,0,1,0|3,0,0]=4 523 B9R1.41 Cc1c(cco1)C(=O)Cl TS40263 [0,0,0,0,1,0|2,0,0]=3 524 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [0,0,0,0,1,0|2,0,0]=3 525 B9R1.41 Cc1c(ccs1)C(=O)N TS37500 [0,0,0,0,1,0|2,0,0]=3 526 B9R1.41 Cc1c(cno1)C(=O)C TS05072 [0,0,0,0,1,0|2,0,0]=3 527 B9R1.41 Cc1c(cno1)C(=O)Cl TS08886 [0,0,0,0,1,0|3,0,0]=4 528 B9R1.41 Cc1c(cno1)C(=O)O TS39785 [0,0,0,0,1,0|3,0,0]=4 529 B9R1.41 Cc1c(con1)C(=O)O TS02851 [0,0,0,0,1,0|2,0,0]=3 530 B9R1.41 Cc1c(nco1)C(=O)O TS55474 [0,0,0,0,1,0|3,0,0]=4 531 B9R1.41 Cc1c(ncs1)C(=O)O TS55484 [0,0,0,0,1,0|3,0,0]=4 532 B9R1.41 Cc1c(ocn1)C(=O)C TS46731 [0,0,0,0,1,0|1,0,0]=2 533 B9R1.41 Cc1c(ocn1)C(=O)Cl TS07135 [0,0,0,0,1,0|2,0,0]=3 534 B9R1.41 Cc1c(ocn1)C(=O)N TS05146 [0,0,0,0,1,0|2,0,0]=3 535 B9R1.41 Cc1c(ocn1)C(=O)O TS03173 [0,0,0,0,1,0|2,0,0]=3 536 B9R1.41 Cc1c(scn1)C(=O)C TS37499 [0,0,0,0,1,0|1,0,0]=2 537 B9R1.41 Cc1c(scn1)C(=O)O TS71243 [0,0,0,0,1,0|2,0,0]=3 538 B9R1.41 Cc1c(snn1)C(=O)Cl TS71221 [0,0,0,0,1,0|3,0,0]=4 539 B9R1.41 Cc1c(snn1)C(=O)O TS71222 [0,0,0,0,1,0|3,0,0]=4 540 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [0,0,0,0,1,0|2,0,0]=3 541 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [0,0,0,0,1,0|3,0,0]=4 542 B9R1.41 Cc1ccoc1C(=O)O TS70657 [0,0,0,0,1,0|3,0,0]=4 543 B9R1.41 Cc1ccsc1C(=O)C TS37389 [0,0,0,0,1,0|2,0,0]=3 544 B9R1.41 Cc1ccsc1C(=O)Cl TS42248 [0,0,0,0,1,0|3,0,0]=4 545 B9R1.41 Cc1ccsc1C(=O)N TS37501 [0,0,0,0,1,0|3,0,0]=4 546 B9R1.41 Cc1ccsc1C(=O)O TS70685 [0,0,0,0,1,0|3,0,0]=4 547 B9R1.41 Cn1c(ccn1)C(=O)O TS16656 [0,0,0,0,1,0|2,0,0]=3 548 B9R1.41 Cn1cccc1C(=O)O TS46984 [0,0,0,0,1,0|3,0,0]=4 549 B9R1.41 c1c(c(n[nH]1)N)C(=O)N TS79016 [0,0,0,0,1,0|3,0,0]=4 550 B9R1.41 c1c(c(n[nH]1)N)C(=O)N TS86252 [0,0,0,0,1,0|3,0,0]=4 551 B9R1.41 c1c(c(n[nH]1)N)C(=O)O TS46439 [0,0,0,0,1,0|3,0,0]=4 552 B9R1.41 c1c(c(ns1)Cl)C(=O)O TS42651 [0,0,0,0,1,0|3,0,0]=4 553 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [0,0,0,0,1,0|3,0,0]=4 554 B9R1.41 c1csc(c1C(=O)N)N TS40037 [0,0,0,0,1,0|3,0,0]=4 555 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [0,0,0,0,1,0|3,0,0]=4 556 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [0,0,0,0,1,0|3,0,0]=4 557 B9R1.41 c1csc(c1C(=O)O)F TS07162 [0,0,0,0,1,0|3,0,0]=4 558 B9R1.41 c1csc(c1C(=O)O)N TS55051 [0,0,0,0,1,0|3,0,0]=4 559 B9R1.41 c1nc(c(s1)C(=O)O)Cl TS71047 [0,0,0,0,1,0|3,0,0]=4 560 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,0,0,0,0,1|3,0,0]=4 561 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,0,0,0,0,1|3,0,0]=4 562 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,0,0,0,0,1|3,0,0]=4 563 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,0,0,0,0,1|3,0,0]=4 564 B11R1.157 CC(=O)Nc1cc(ncn1)N TS88794 [0,0,0,0,0,1|3,0,0]=4 565 B11R1.157 CC(=O)Nc1cc[nH]c(=O)n1 TS33084 [0,0,0,0,0,1|1,0,1]=3 566 B11R1.157 CC(=O)Nc1cccc(c1)Br TS44446 [0,0,0,0,0,1|3,0,0]=4 567 B11R1.157 CC(=O)Nc1cccc(c1)Cl TS12719 [0,0,0,0,0,1|3,0,0]=4 568 B11R1.157 CC(=O)Nc1cccc(c1)F TS10311 [0,0,0,0,0,1|3,0,0]=4 569 B11R1.157 CC(=O)Nc1cccc(c1)N TS09891 [0,0,0,0,0,1|3,0,0]=4 570 B11R1.157 CC(=O)Nc1cccc(c1)N TS15731 [0,0,0,0,0,1|3,0,0]=4 571 B11R1.157 CC(=O)Nc1ccnc(c1)Cl TS45239 [0,0,0,0,0,1|2,0,0]=3 572 B11R1.157 CC(=O)Oc1cccc(c1)F TS41348 [0,0,0,0,0,1|3,0,0]=4 573 B11R1.157 CC(=O)Oc1cccc(c1)O TS10124 [0,0,0,0,0,1|3,0,0]=4 574 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,0,0,0,0,1|2,0,0]=3 575 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [0,0,0,0,0,1|3,0,0]=4 576 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,0,0,0,0,1|3,0,0]=4 577 B11R1.157 Cc1cccc(c1)NC(=O)C TS40761 [0,0,0,0,0,1|2,0,0]=3 578 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [0,0,0,0,0,1|3,0,0]=4 579 B11R1.157 Cc1cccc(c1)OC(=O)C TS40850 [0,0,0,0,0,1|2,0,0]=3 580 B11R1.157 Cc1cccc(c1)OC(=O)Cl TS12924 [0,0,0,0,0,1|3,0,0]=4 581 B11R1.157 Cc1cccc(n1)CC(=O)O TS10024 [0,0,0,0,0,1|2,0,0]=3 582 B11R1.157 Cc1cccc(n1)NC(=O)C TS09892 [0,0,0,0,0,1|1,0,0]=2 583 B11R1.157 c1cnc(cc1CC(=O)O)Br TS44775 [0,0,0,0,0,1|3,0,0]=4 584 B11R1.157 c1cnc(cc1CC(=O)O)N TS10152 [0,0,0,0,0,1|3,0,0]=4 585 B8R1.2 C=Cc1ccccn1 TS31704 [2,0,0,0,0,0|1,0,1]=4 586 B8R1.2 C=Cc1ccncc1 TS33177 [2,0,0,0,0,0|1,0,1]=4 587 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,1]=4 588 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,1]=4 589 B8R1.2 CNc1ccccn1 TS22814 [2,0,0,0,0,0|2,0,0]=4 590 B8R1.2 CNc1ccncc1 TS16891 [2,0,0,0,0,0|2,0,0]=4 591 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|2,0,0]=4 592 B8R1.2 COc1ccncn1 TS31815 [2,0,0,0,0,0|1,0,0]=3 593 B8R1.2 CSc1ccccn1 TS05101 [2,0,0,0,0,0|2,0,0]=4 594 B8R1.2 c1cc(nnc1)C=O TS59366 [2,0,0,0,0,0|2,0,0]=4 595 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|2,0,0]=4 596 B8R1.2 c1ccnc(c1)C=O TS02469 [2,0,0,0,0,0|1,0,0]=3 597 B8R1.2 c1cnc(cn1)C=O TS31759 [2,0,0,0,0,0|2,0,0]=4 598 B8R1.2 c1cnc(nc1)C=O TS02479 [2,0,0,0,0,0|2,0,0]=4 599 B8R1.2 c1cnccc1C=O TS59369 [2,0,0,0,0,0|1,0,0]=3 600 B8R1.2 c1cncnc1C=O TS01666 [2,0,0,0,0,0|0,0,0]=2 601 B8R1.2 c1cncnc1CN TS16892 [2,0,0,0,0,0|1,0,1]=4 602 B8R1.2 c1cncnc1CN TS85609 [2,0,0,0,0,0|1,0,1]=4 603 B8R1.2 c1cncnc1CO TS33139 [2,0,0,0,0,0|0,0,2]=4 604 B8R1.2 c1cnncc1C=O TS87334 [2,0,0,0,0,0|2,0,0]=4 605 B8R1.4 Cc1cc(ccn1)Br TS20656 [2,0,0,0,0,0|2,0,0]=4 606 B8R1.4 Cc1cc(ccn1)Br TS85446 [2,0,0,0,0,0|2,0,0]=4 607 B8R1.4 Cc1cc(ccn1)Cl TS42660 [2,0,0,0,0,0|2,0,0]=4 608 B8R1.4 Cc1cc(ccn1)Cl TS71029 [2,0,0,0,0,0|2,0,0]=4 609 B8R1.4 Cc1cc(ccn1)F TS04247 [2,0,0,0,0,0|2,0,0]=4 610 B8R1.4 Cc1cc(ccn1)I TS22520 [2,0,0,0,0,0|2,0,0]=4 611 B8R1.4 Cc1cc(ccn1)N TS93456 [2,0,0,0,0,0|2,0,0]=4 612 B8R1.4 Cc1cc(ccn1)O TS03105 [2,0,0,0,0,0|1,0,1]=4 613 B8R1.4 Cc1cc(ncn1)C TS02936 [2,0,0,0,0,0|2,0,0]=4 614 B8R1.4 Cc1cc[nH]c(=O)n1 TS87771 [2,0,0,0,0,0|1,0,1]=4 615 B8R1.4 Cc1cccc(c1)C TS04101 [2,0,0,0,0,0|2,0,0]=4 616 B8R1.4 Cc1cccc(n1)Br TS08371 [2,0,0,0,0,0|2,0,0]=4 617 B8R1.4 Cc1cccc(n1)Br TS94756 [2,0,0,0,0,0|2,0,0]=4 618 B8R1.4 Cc1cccc(n1)C TS60248 [2,0,0,0,0,0|1,0,0]=3 619 B8R1.4 Cc1cccc(n1)Cl TS00936 [2,0,0,0,0,0|2,0,0]=4 620 B8R1.4 Cc1cccc(n1)F TS55370 [2,0,0,0,0,0|2,0,0]=4 621 B8R1.4 Cc1cccc(n1)I TS59623 [2,0,0,0,0,0|2,0,0]=4 622 B8R1.4 Cc1cccc(n1)N TS47459 [2,0,0,0,0,0|2,0,0]=4 623 B8R1.4 Cc1cccc(n1)O TS01270 [2,0,0,0,0,0|1,0,1]=4 624 B8R1.4 Cc1cccc(n1)S TS05106 [2,0,0,0,0,0|1,1,0]=4 625 B8R1.4 Cc1ccnc(c1)Br TS08333 [2,0,0,0,0,0|2,0,0]=4 626 B8R1.4 Cc1ccnc(c1)C TS07700 [2,0,0,0,0,0|1,0,0]=3 627 B8R1.4 Cc1ccnc(c1)Cl TS55236 [2,0,0,0,0,0|2,0,0]=4 628 B8R1.4 Cc1ccnc(c1)F TS85429 [2,0,0,0,0,0|2,0,0]=4 629 B8R1.4 Cc1ccnc(c1)I TS33096 [2,0,0,0,0,0|2,0,0]=4 630 B8R1.4 Cc1ccnc(c1)O TS01045 [2,0,0,0,0,0|2,0,0]=4 631 B8R1.4 Cc1ccnc(n1)Br TS08334 [2,0,0,0,0,0|1,0,0]=3 632 B8R1.4 Cc1ccnc(n1)Cl TS00889 [2,0,0,0,0,0|1,0,0]=3 633 B8R1.4 Cc1ccnc(n1)N TS47413 [2,0,0,0,0,0|1,0,0]=3 634 B8R1.4 Cc1ccnc(n1)O TS01046 [2,0,0,0,0,0|1,0,0]=3 635 B8R1.4 Cc1ccnc(n1)S TS36140 [2,0,0,0,0,0|1,0,0]=3 636 B8R1.4 Cc1cncc(n1)C TS31775 [2,0,0,0,0,0|2,0,0]=4 637 B8R1.4 Cc1nccc(n1)Cl TS71022 [2,0,0,0,0,0|1,0,0]=3 638 B8R1.4 Cc1nccc(n1)O TS03106 [2,0,0,0,0,0|0,0,1]=3 639 B8R1.4 c1[nH]c(=O)nc(n1)N TS71393 [2,0,0,0,0,0|2,0,0]=4 640 B8R1.4 c1cnc([nH]c1=O)N TS47400 [2,0,0,0,0,0|1,0,1]=4 641 B8R1.4 c1cnc([nH]c1=O)N TS90232 [2,0,0,0,0,0|1,0,1]=4 642 B8R1.4 c1cnc(nc1Br)Br TS57012 [2,0,0,0,0,0|2,0,0]=4 643 B8R1.4 c1cnc(nc1Br)N TS86309 [2,0,0,0,0,0|2,0,0]=4 644 B8R1.4 c1cnc(nc1Cl)Cl TS00619 [2,0,0,0,0,0|2,0,0]=4 645 B8R1.4 c1cnc(nc1Cl)N TS00748 [2,0,0,0,0,0|2,0,0]=4 646 B8R1.4 c1cnc(nc1F)F TS32174 [2,0,0,0,0,0|2,0,0]=4 647 B8R1.4 c1cnc(nc1N)Cl TS02958 [2,0,0,0,0,0|2,0,0]=4 648 B8R1.4 c1cnc(nc1N)N TS31825 [2,0,0,0,0,0|2,0,0]=4 649 B8R1.4 c1cnc(nc1N)S TS05272 [2,0,0,0,0,0|2,0,0]=4 650 B8R1.4 c1cnc(nc1O)N TS04245 [2,0,0,0,0,0|1,0,1]=4 651 B8R1.4 c1cnc(nc1O)O TS39605 [2,0,0,0,0,0|1,0,1]=4 652 B10R1.2 Cc1c(c(ccn1)C=O)O TS37087 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.2 Cc1cccc(c1C)C=O TS59680 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.2 Cc1cccc(c1F)C=O TS37170 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.2 Cc1cccc(c1O)C=O TS36989 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.2 c1cnc(c(c1C=O)Cl)Cl TS46032 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.2 c1cnc(c(c1C=O)F)Cl TS08399 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.8 CCc1cc(nc(n1)C)Cl TS41732 [1,1,0,0,0,0|0,0,1]=3 659 B10R1.8 CCc1cc(nc(n1)C)O TS71105 [1,1,0,0,0,0|0,0,1]=3 660 B10R1.8 CCc1cc(nc(n1)N)Cl TS10920 [1,1,0,0,0,0|1,0,1]=4 661 B10R1.8 CCc1cc(nc(n1)N)O TS37285 [1,1,0,0,0,0|1,0,1]=4 662 B10R1.8 CCc1cc(nc(n1)S)O TS10702 [1,1,0,0,0,0|1,0,1]=4 663 B10R1.8 CNc1cc(nc(n1)F)F TS40277 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.8 COc1cc(nc(n1)N)Cl TS00740 [1,1,0,0,0,0|2,0,0]=4 665 B10R1.8 COc1cc(nc(n1)N)F TS40060 [1,1,0,0,0,0|2,0,0]=4 666 B10R1.8 COc1cc(nc(n1)N)N TS00684 [1,1,0,0,0,0|2,0,0]=4 667 B10R1.8 Cc1cc(cc(c1)C=O)C TS08854 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.8 Cc1cc(cc(c1)F)C=O TS09382 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.8 Cc1cc(cc(n1)C)C=O TS36916 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.8 Cc1cc(cc(n1)C=O)Br TS18941 [1,1,0,0,0,0|1,0,0]=3 671 B10R1.8 Cc1cc(cc(n1)Cl)C=O TS10619 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.8 Cc1cc(nc(n1)C)NN TS06281 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.8 Cc1cc(nc(n1)Cl)SC TS55231 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.8 Cc1cc(nc(n1)N)OC TS06378 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.8 Cc1nc(cc(n1)Cl)SC TS87876 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.8 Cc1nc(nc(n1)OC)N TS06450 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.8 c1c(cc(nc1Br)Br)C=O TS00695 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.8 c1c(cc(nc1Cl)Cl)C=O TS47302 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.10 Cc1cccc(c1)NC=O TS36924 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.10 Cc1cccc(n1)CCO TS37109 [1,1,0,0,0,0|1,0,1]=4 681 B10R1.10 Cc1cccc(n1)CNC TS65175 [1,1,0,0,0,0|1,0,1]=4 682 B10R1.10 c1cnc(nc1C=NO)O TS37259 [1,1,0,0,0,0|1,0,1]=4 683 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.30 COc1c(cnc(n1)Cl)Br TS16981 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.30 CSc1c(cnc(n1)Cl)Br TS26408 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.30 Cc1ccc(c(c1)C=O)C TS36833 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.30 Cc1ccc(c(c1)C=O)C TS93809 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.30 Cc1ccc(c(c1)C=O)F TS01006 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.30 Cc1ccc(c(c1)C=O)O TS01052 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.30 Cc1ccc(c(n1)C=O)F TS37267 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.30 Cc1ccc(c(n1)OC)Br TS19322 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.30 Cc1ccc(c(n1)OC)F TS06578 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.30 Cc1ccc(c(n1)OC)N TS37184 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.30 Cc1ccc(c(n1)OC)N TS85455 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.30 Cc1ncc(c(n1)OC)N TS71203 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.30 c1c(c(cnc1Cl)Br)C=O TS86358 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.30 c1c(c(cnc1Cl)Cl)C=O TS00660 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.30 c1c(c(cnc1Cl)F)C=O TS07718 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.30 c1c(c(cnc1O)F)C=O TS32991 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.30 c1cc(nc(c1F)C=O)Br TS88872 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.30 c1cc(nc(c1F)C=O)Cl TS39360 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.172 CCc1cccc(c1)C=O TS36830 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.172 CCc1cccc(n1)CO TS46566 [1,1,0,0,0,0|1,0,1]=4 704 B10R1.172 CNc1cccc(n1)OC TS37198 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.172 COc1cc(ccn1)C=O TS55432 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.172 COc1cccc(c1)C=O TS02819 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.172 COc1cccc(n1)C=O TS01259 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.172 COc1cccc(n1)CN TS46568 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.172 COc1cccc(n1)CO TS06371 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.172 COc1cccc(n1)OC TS65016 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.172 COc1ccnc(c1)CO TS46547 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.172 COc1ccnc(c1)OC TS06363 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.172 COc1ccnc(n1)C#N TS88323 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.172 COc1ccnc(n1)OC TS47234 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.172 COc1nccc(n1)CN TS87069 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.172 COc1nccc(n1)CO TS89082 [1,1,0,0,0,0|0,0,2]=4 717 B10R1.172 CSc1ccnc(c1)SC TS45357 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.172 CSc1nccc(n1)C=O TS02454 [1,1,0,0,0,0|0,0,0]=2 719 B10R1.172 CSc1nccc(n1)CBr TS49561 [1,1,0,0,0,0|1,0,1]=4 720 B10R1.172 c1cc(cc(c1)C=O)CBr TS65062 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.172 c1cc(nc(c1)C=O)C=O TS05969 [1,1,0,0,0,0|1,0,1]=4 722 B10R1.172 c1cc(nc(c1)C=O)CF TS37266 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.172 c1cnc(cc1C=O)C#N TS00974 [1,1,0,0,0,0|1,0,1]=4 724 B10R1.172 c1cnc(cc1C=O)CN TS06057 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.176 Cc1c(ccc(n1)C=O)F TS32659 [1,1,0,0,0,0|1,0,0]=3 726 B10R1.176 Cc1c(ccc(n1)OC)Br TS85459 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.176 Cc1c(ccc(n1)OC)F TS71540 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.176 Cc1c(ccc(n1)OC)N TS45872 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.176 Cc1c(ccc(n1)OC)N TS71364 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.176 Cc1cc(ccc1Cl)C=O TS16662 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.176 Cc1cc(ccc1F)C=O TS71119 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.176 Cc1ccc(cc1C)C=O TS05906 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.13 CC(=O)c1ccc(cc1)Cl TS71057 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.13 CC(=O)c1ccc(cc1)F TS93776 [1,1,0,0,0,0|2,0,0]=4 735 B10R1.13 CC(=O)c1ccc(cc1)I TS71192 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.13 CC(=O)c1ccc(cc1)N TS39574 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.13 CC(=O)c1ccc(cc1)N TS45381 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.13 CC(=O)c1ccc(cn1)Br TS08248 [1,1,0,0,0,0|1,0,0]=3 739 B10R1.13 CC(=O)c1ccc(cn1)O TS33043 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.13 CC(=O)c1ccc(nn1)Cl TS88128 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.13 CC(=O)c1ccn(=O)cc1 TS06168 [1,1,0,0,0,0|1,0,1]=4 742 B10R1.13 CC(=O)c1cnc(cn1)Cl TS10794 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.13 CC(=O)c1ncc(cn1)Br TS91771 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.13 CC(=O)c1ncc(cn1)F TS89063 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.13 Cc1ccc(cc1)C(=O)C TS03169 [1,1,0,0,0,0|2,0,0]=4 746 B10R1.13 Cc1ccc(nc1)C(=O)C TS36938 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.13 Cc1ccc(nc1)C(=O)O TS01161 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.13 c1cc(ncc1Br)C(=O)Cl TS49866 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.13 c1cc(ncc1Br)C(=O)N TS16791 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.13 c1cc(ncc1Br)C(=O)O TS71440 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.13 c1cc(ncc1Cl)C(=O)O TS03261 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.13 c1cc(ncc1F)C(=O)O TS03309 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.13 c1cc(ncc1N)C(=O)N TS39339 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.13 c1cc(ncc1N)C(=O)O TS03222 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.13 c1cc(ncc1N)C(=O)O TS45870 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.13 c1cc(ncc1O)C(=O)O TS03341 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.15 C=C(CO)c1ccncc1 TS36912 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.15 CC(=NO)c1ccncc1 TS06055 [1,1,0,0,0,0|1,0,1]=4 759 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.15 CCC(=O)c1ccccn1 TS36934 [1,1,0,0,0,0|1,0,0]=3 761 B10R1.15 CCC(=O)c1ccncc1 TS36919 [1,1,0,0,0,0|1,0,0]=3 762 B10R1.15 CCC(=O)c1cnccn1 TS88981 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.15 CN(C=O)c1ccccn1 TS06069 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.15 CNC(=O)c1ccccc1 TS01597 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.15 COC(=N)c1ccccn1 TS02314 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.15 COC(=O)c1ccccc1 TS00163 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.15 COC(=O)c1ccccn1 TS06161 [1,1,0,0,0,0|1,0,0]=3 768 B10R1.15 COC(=O)c1cccnn1 TS90030 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.15 COC(=O)c1ccncc1 TS06163 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.15 COC(=O)c1ccncn1 TS59823 [1,1,0,0,0,0|0,0,0]=2 771 B10R1.15 COC(=O)c1ccnnc1 TS90861 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.15 COC(=O)c1ncccn1 TS01557 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [1,1,0,0,0,0|2,0,0]=4 777 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [1,1,0,0,0,0|2,0,0]=4 780 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [1,1,0,0,0,0|2,0,0]=4 781 B10R1.15 c1cnccc1C(=O)CBr TS16896 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.15 c1cnccc1C(=O)NN TS06172 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.15 c1cncnc1C(=O)NN TS37167 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.61 CC(=O)c1c(cccn1)F TS08247 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.61 CC(=O)c1c(cccn1)N TS06066 [1,1,0,0,0,0|1,0,0]=3 787 B10R1.61 CC(=O)c1c(cccn1)O TS37090 [1,1,0,0,0,0|1,0,0]=3 788 B10R1.61 CC(=O)c1c(nccn1)Cl TS90872 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.61 CC(=O)c1c(nccn1)N TS87446 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,1,0,0,0,0|2,0,0]=4 793 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,1,0,0,0,0|2,0,0]=4 794 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.61 CC(=O)c1ccncc1Br TS18937 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.61 CC(=O)c1ccncc1Br TS76034 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.61 CC(=O)c1ccncc1F TS08156 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.61 CC(=O)c1ccncc1N TS06058 [1,1,0,0,0,0|1,0,0]=3 799 B10R1.61 Cc1c(nccn1)C(=O)C TS06062 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.61 Cc1cccnc1C(=O)O TS37085 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.61 Cc1cccnc1C(=O)O TS60354 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.61 Cc1cnccc1C(=O)N TS02849 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.61 Cc1cnccc1C(=O)O TS06159 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.61 Cc1cnccc1C(=O)O TS86033 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.61 c1c(c(ncn1)C(=O)O)Br TS71448 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.61 c1c(c(ncn1)C(=O)O)N TS71388 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.61 c1cc(c(nc1)C(=O)N)N TS59602 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.61 c1cc(c(nc1)C(=O)N)O TS06240 [1,1,0,0,0,0|2,0,0]=4 810 B10R1.61 c1cc(c(nc1)C(=O)O)Br TS85444 [1,1,0,0,0,0|2,0,0]=4 811 B10R1.61 c1cc(c(nc1)C(=O)O)Cl TS66011 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.61 c1cc(c(nc1)C(=O)O)F TS70603 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.61 c1cc(c(nc1)C(=O)O)I TS27852 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.61 c1cc(c(nc1)C(=O)O)N TS02640 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.61 c1cc(c(nc1)C(=O)O)O TS02795 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.61 c1cc(c(nc1)C(=O)O)S TS51373 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.61 c1cncc(c1C(=O)N)Br TS65950 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.61 c1cncc(c1C(=O)O)Br TS75153 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.61 c1cncc(c1C(=O)O)Br TS85456 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.61 c1cncc(c1C(=O)O)Cl TS02717 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.61 c1cncc(c1C(=O)O)F TS70583 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.61 c1cncc(c1C(=O)O)I TS70630 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.61 c1cncc(c1C(=O)O)N TS06238 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.61 c1cncc(c1C(=O)O)N TS85384 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.61 c1cncc(c1C(=O)O)N TS87274 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.61 c1cncc(c1C(=O)O)O TS02801 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.61 c1nc(c(nn1)N)C(=O)O TS06417 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [0,1,0,0,1,0|1,0,0]=3 829 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,1,0,0,1,0|2,0,0]=4 830 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [0,1,0,0,1,0|2,0,0]=4 831 B10R1.14 COC(=O)c1cnc(s1)Br TS93874 [0,1,0,0,1,0|2,0,0]=4 832 B10R1.14 COC(=O)c1cnc(s1)N TS08549 [0,1,0,0,1,0|2,0,0]=4 833 B10R1.14 COC(=O)c1csc(n1)Br TS23389 [0,1,0,0,1,0|2,0,0]=4 834 B10R1.14 COC(=O)c1csc(n1)Br TS85380 [0,1,0,0,1,0|2,0,0]=4 835 B10R1.14 COC(=O)c1csc(n1)Cl TS56249 [0,1,0,0,1,0|2,0,0]=4 836 B10R1.14 COC(=O)c1csc(n1)N TS08548 [0,1,0,0,1,0|2,0,0]=4 837 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [0,1,0,0,1,0|2,0,0]=4 838 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [0,1,0,0,1,0|2,0,0]=4 839 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [0,1,0,0,1,0|2,0,0]=4 840 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,1,0,0,1,0|1,0,0]=3 841 B10R1.14 Cc1ccc(s1)C(=O)NN TS10710 [0,1,0,0,1,0|2,0,0]=4 842 B10R1.14 Cc1nc(co1)C(=O)OC TS06566 [0,1,0,0,1,0|1,0,0]=3 843 B10R1.14 Cc1nc(co1)C(=O)OC TS41497 [0,1,0,0,1,0|1,0,0]=3 844 B10R1.14 Cc1nc(cs1)C(=O)NN TS10856 [0,1,0,0,1,0|2,0,0]=4 845 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [0,1,0,0,1,0|1,0,0]=3 846 B10R1.14 Cn1cnc(n1)C(=O)OC TS88313 [0,1,0,0,1,0|2,0,0]=4 847 B10R1.14 c1cc(sc1C(=O)CBr)Br TS00842 [0,1,0,0,1,0|2,0,0]=4 848 B10R1.14 c1cc(sc1C(=O)CBr)Cl TS59946 [0,1,0,0,1,0|2,0,0]=4 849 B10R1.14 c1cc(sc1C(=O)CCl)Br TS26406 [0,1,0,0,1,0|2,0,0]=4 850 B10R1.31 CC(=O)c1ccc(s1)C#N TS10062 [0,1,0,0,1,0|1,0,1]=4 851 B10R1.31 CC(=O)c1ccc(s1)C=O TS41389 [0,1,0,0,1,0|1,0,1]=4 852 B10R1.31 CCc1[nH]cc(n1)C(=O)O TS37354 [0,1,0,0,1,0|1,0,1]=4 853 B10R1.31 CCc1ccc(o1)C(=O)O TS37346 [0,1,0,0,1,0|2,0,0]=4 854 B10R1.31 CCc1ccc(s1)C(=O)C TS41403 [0,1,0,0,1,0|1,0,0]=3 855 B10R1.31 CCc1ccc(s1)C(=O)O TS41629 [0,1,0,0,1,0|2,0,0]=4 856 B10R1.31 CSc1ccc(s1)C(=O)O TS02263 [0,1,0,0,1,0|2,0,0]=4 857 B10R1.31 c1c(nc(s1)CO)C(=O)O TS32883 [0,1,0,0,1,0|2,0,0]=4 858 B10R1.31 c1cc(oc1CN)C(=O)O TS06569 [0,1,0,0,1,0|2,0,0]=4 859 B10R1.31 c1cc(oc1CO)C(=O)O TS03337 [0,1,0,0,1,0|2,0,0]=4 860 B10R1.58 CC(=O)c1cc(c(s1)Cl)Cl TS51957 [0,1,0,0,1,0|2,0,0]=4 861 B10R1.58 Cc1cc(nn1C)C(=O)Cl TS11088 [0,1,0,0,1,0|2,0,0]=4 862 B10R1.58 Cc1cc(nn1C)C(=O)O TS06436 [0,1,0,0,1,0|2,0,0]=4 863 B10R1.58 Cc1cc(oc1C)C(=O)C TS06264 [0,1,0,0,1,0|1,0,0]=3 864 B10R1.58 Cc1cc(oc1C)C(=O)O TS65110 [0,1,0,0,1,0|2,0,0]=4 865 B10R1.58 Cc1cc(sc1C)C(=O)O TS10697 [0,1,0,0,1,0|2,0,0]=4 866 B10R1.58 Cn1c(cc(n1)C(=O)O)N TS87775 [0,1,0,0,1,0|2,0,0]=4 867 B10R1.59 CC1=CC(=O)N(C1)C(=O)C TS06361 [0,1,0,0,1,0|2,0,0]=4 868 B10R1.59 Cc1[nH]c(c(n1)C(=O)N)N TS06449 [0,1,0,0,1,0|1,0,1]=4 869 B10R1.59 Cc1c(nc(o1)C)C(=O)C TS08136 [0,1,0,0,1,0|1,0,0]=3 870 B10R1.59 Cc1c(nc(o1)C)C(=O)Cl TS11181 [0,1,0,0,1,0|2,0,0]=4 871 B10R1.59 Cc1c(nc(o1)C)C(=O)O TS06568 [0,1,0,0,1,0|2,0,0]=4 872 B10R1.59 Cc1c(oc(n1)C)C(=O)C TS06376 [0,1,0,0,1,0|1,0,0]=3 873 B10R1.59 Cc1c(oc(n1)C)C(=O)O TS06572 [0,1,0,0,1,0|2,0,0]=4 874 B10R1.59 Cc1c(sc(n1)C)C(=O)C TS10596 [0,1,0,0,1,0|1,0,0]=3 875 B10R1.59 Cc1c(sc(n1)C)C(=O)N TS10709 [0,1,0,0,1,0|2,0,0]=4 876 B10R1.59 Cc1c(sc(n1)C)C(=O)O TS00649 [0,1,0,0,1,0|2,0,0]=4 877 B10R1.59 Cc1c(sc(n1)N)C(=O)C TS47409 [0,1,0,0,1,0|2,0,0]=4 878 B10R1.59 Cc1cc([nH]c1C(=O)C)C TS37113 [0,1,0,0,1,0|0,0,1]=3 879 B10R1.59 Cc1cc([nH]c1C(=O)O)C TS37283 [0,1,0,0,1,0|1,0,1]=4 880 B10R1.59 Cc1cc(c(o1)C)C(=O)C TS06252 [0,1,0,0,1,0|2,0,0]=4 881 B10R1.59 Cc1cc(c(s1)C)C(=O)C TS10466 [0,1,0,0,1,0|2,0,0]=4 882 B10R1.59 Cc1cc(n(n1)C(=O)N)C TS37284 [0,1,0,0,1,0|2,0,0]=4 883 B10R1.59 Cc1cc(n(n1)C)C(=O)C TS37182 [0,1,0,0,1,0|2,0,0]=4 884 B10R1.59 Cn1cc(c(n1)C(=O)Cl)Br TS50364 [0,1,0,0,1,0|2,0,0]=4 885 B10R1.59 Cn1cc(c(n1)C(=O)O)Br TS38735 [0,1,0,0,1,0|2,0,0]=4 886 B10R1.59 Cn1cc(c(n1)C(=O)O)Cl TS11332 [0,1,0,0,1,0|2,0,0]=4 887 B10R1.39 CCn1cccc1C(=O)C TS37128 [0,1,0,0,1,0|2,0,0]=4 888 B10R1.39 CSc1c(ccs1)C(=O)O TS13542 [0,1,0,0,1,0|2,0,0]=4 889 B10R1.149 COC(=O)c1c(ncs1)N TS70927 [0,1,0,0,1,0|2,0,0]=4 890 B10R1.149 COC(=O)c1ccsc1N TS08550 [0,1,0,0,1,0|2,0,0]=4 891 B10R1.149 Cc1c(cco1)C(=O)OC TS06434 [0,1,0,0,1,0|1,0,0]=3 892 B10R1.149 Cc1c(ccs1)C(=O)OC TS39900 [0,1,0,0,1,0|1,0,0]=3 893 B10R1.149 Cc1c(nco1)C(=O)OC TS37468 [0,1,0,0,1,0|2,0,0]=4 894 B10R1.149 Cc1c(scn1)C(=O)OC TS16575 [0,1,0,0,1,0|1,0,0]=3 895 B10R1.149 Cc1cc[nH]c1C(=O)OC TS89995 [0,1,0,0,1,0|2,0,0]=4 896 B10R1.149 Cc1ccoc1C(=O)OC TS06432 [0,1,0,0,1,0|2,0,0]=4 897 B10R1.149 Cc1ccsc1C(=O)OC TS56278 [0,1,0,0,1,0|2,0,0]=4 898 B10R1.149 Cn1cccc1C(=O)OC TS37280 [0,1,0,0,1,0|2,0,0]=4 899 B10R1.192 Cc1c(c(n[nH]1)C)C(=O)O TS06439 [0,1,0,0,1,0|2,0,0]=4 900 B10R1.192 Cc1c(c(on1)C)C(=O)Cl TS11182 [0,1,0,0,1,0|2,0,0]=4 901 B10R1.192 Cc1c(c(on1)C)C(=O)N TS06438 [0,1,0,0,1,0|2,0,0]=4 902 B10R1.192 Cc1c(c(on1)C)C(=O)O TS37470 [0,1,0,0,1,0|2,0,0]=4 903 B10R1.192 Cc1c(c(on1)N)C(=O)O TS06652 [0,1,0,0,1,0|2,0,0]=4 904 B10R1.192 Cc1c[nH]c(c1C(=O)C)C TS02615 [0,1,0,0,1,0|0,0,1]=3 905 B10R1.192 Cc1c[nH]c(c1C(=O)O)C TS00647 [0,1,0,0,1,0|1,0,1]=4 906 B10R1.192 Cn1c(c(cn1)Br)C(=O)O TS19886 [0,1,0,0,1,0|2,0,0]=4 907 B12R1.19 Cc1c(ccc(n1)NC(=O)C)Br TS24665 [0,1,0,0,0,1|1,0,0]=3 908 B12R1.19 Cc1c(ccc(n1)NC(=O)C)Cl TS15397 [0,1,0,0,0,1|1,0,0]=3 909 B12R1.19 Cc1cc(ccc1Br)NC(=O)C TS24460 [0,1,0,0,0,1|2,0,0]=4 910 B12R1.19 Cc1ccc(cc1C)NC(=O)C TS42600 [0,1,0,0,0,1|2,0,0]=4 911 B12R1.50 Cc1cccc(c1)CC(=O)OC TS42759 [0,1,0,0,0,1|2,0,0]=4 912 B12R1.50 Cc1cccc(c1)OC(=O)NC TS12018 [0,1,0,0,0,1|2,0,0]=4 913 B12R1.101 c1c(nc(nc1O)O)CC(=O)O TS12756 [0,1,0,0,0,1|2,0,0]=4 914 B12R1.127 CC(=O)Nc1c(cnc(n1)Cl)Br TS89604 [0,1,0,0,0,1|1,0,0]=3 915 B12R1.127 Cc1ccc(c(c1)CC(=O)C)C TS42485 [0,1,0,0,0,1|2,0,0]=4 916 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O TS65018 [0,1,0,0,0,1|2,0,0]=4 917 B12R1.127 Cc1ccc(c(c1)OC(=O)C)C TS11870 [0,1,0,0,0,1|2,0,0]=4 918 B12R1.224 Cc1cccc(c1C)NC(=O)C TS11715 [0,1,0,0,0,1|2,0,0]=4 919 B12R1.225 Cc1cccc(n1)C(C(=O)O)N TS12217 [0,1,0,0,0,1|2,0,0]=4 920 B12R1.225 Cc1cccc(n1)C(C(=O)O)O TS43205 [0,1,0,0,0,1|2,0,0]=4 921 B12R1.438 CC(=O)Cc1cccc(c1)OC TS11855 [0,1,0,0,0,1|2,0,0]=4 922 B12R1.438 CC(=O)Nc1cccc(c1)OC TS12011 [0,1,0,0,0,1|2,0,0]=4 923 B12R1.438 CC(=O)Nc1cccc(c1)SC TS14829 [0,1,0,0,0,1|2,0,0]=4 924 B12R1.438 CC(=O)Oc1cccc(c1)OC TS12201 [0,1,0,0,0,1|2,0,0]=4 925 B12R1.48 CC(=O)c1ccc(c(n1)S)C#N TS47548 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.56 CC(=O)c1ccc(c(c1)CCl)O TS08973 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.56 CC(=O)c1ccc(c(c1)OC)F TS71117 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.56 CC(=O)c1ccc(c(c1)OC)N TS12019 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.56 CC(=O)c1ccc(c(c1)OC)O TS55714 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C TS42483 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C TS11849 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.232 Cc1cc(c(cc1Cl)F)C(=O)C TS48997 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.232 Cc1cc(c(cc1O)C)C(=O)C TS42744 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.367 CCC(=O)c1ccc(c(c1)C)C TS11591 [0,2,0,0,0,0|2,0,0]=4 935 B12R1.367 COC(=O)c1ccc(c(n1)N)Br TS25006 [0,2,0,0,0,0|2,0,0]=4 936 B12R1.367 COC(=O)c1ccc(c(n1)O)O TS88111 [0,2,0,0,0,0|2,0,0]=4 937 B12R1.367 Cc1cc(ccc1Br)C(=O)OC TS56289 [0,2,0,0,0,0|2,0,0]=4 938 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC TS48670 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.367 Cc1cc(ccc1I)C(=O)OC TS16570 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.367 Cc1cc(ccc1N)C(=O)OC TS08592 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.367 Cc1ccc(cc1C)C(=O)OC TS11874 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O TS12193 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)C TS11873 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.13 Cc1nccc(n1)C(OC)OC TS44878 [0,2,0,0,0,0|0,0,2]=4 945 B12R1.17 CCCC(=O)c1cccc(c1)C TS42482 [0,2,0,0,0,0|2,0,0]=4 946 B12R1.17 CCOC(=O)c1cccc(c1)C TS11846 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.17 CCOC(=O)c1cccc(n1)Br TS08519 [0,2,0,0,0,0|2,0,0]=4 948 B12R1.17 CCOC(=O)c1ccnc(c1)Br TS24818 [0,2,0,0,0,0|2,0,0]=4 949 B12R1.17 CCOC(=O)c1ccnc(c1)Cl TS55913 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.17 CCOC(=O)c1ccnc(c1)N TS47474 [0,2,0,0,0,0|2,0,0]=4 951 B12R1.17 Cc1cccc(c1)C(=O)CC#N TS02844 [0,2,0,0,0,0|2,0,0]=4 952 B12R1.24 COC(=O)c1ccnc(c1F)Cl TS65229 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.24 COC(=O)c1ccnc(c1N)Cl TS08568 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.24 Cc1cccc(c1Br)C(=O)OC TS08552 [0,2,0,0,0,0|2,0,0]=4 955 B12R1.24 Cc1cccc(c1N)C(=O)NC TS65228 [0,2,0,0,0,0|2,0,0]=4 956 B12R1.24 Cc1cccc(c1N)C(=O)OC TS56246 [0,2,0,0,0,0|2,0,0]=4 957 B12R1.24 Cc1cccc(c1O)C(=O)OC TS59794 [0,2,0,0,0,0|2,0,0]=4 958 B12R1.354 CCC(=O)c1cc(ccc1O)C TS42743 [0,2,0,0,0,0|2,0,0]=4 959 B12R1.354 COC(=O)c1c(ccc(n1)Cl)Cl TS38920 [0,2,0,0,0,0|2,0,0]=4 960 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N TS86451 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.354 COC(=O)c1c(ccc(n1)N)Br TS25007 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.354 COC(=O)c1cc(ncc1Br)Cl TS28102 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.354 COC(=O)c1cc(ncc1N)Br TS87939 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.354 Cc1ccc(c(c1)C(=O)CBr)O TS52794 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.354 Cc1ccc(c(c1)C(=O)OC)I TS31069 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.354 Cc1ccc(c(c1)C(=O)OC)O TS16588 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.354 Cc1ccc(nc1C(=O)OC)Cl TS00162 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.358 COC(=O)c1cc(cc(n1)N)Br TS47389 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.358 COC(=O)c1cc(nc(c1)Br)Br TS89645 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.358 COC(=O)c1cc(nc(c1)Cl)Cl TS39898 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.358 COC(=O)c1cc(nc(n1)Cl)Cl TS56238 [0,2,0,0,0,0|1,0,0]=3 972 B12R1.358 Cc1cc(cc(c1)C(=O)OC)C TS11866 [0,2,0,0,0,0|2,0,0]=4 973 B12R1.358 Cc1cc(cc(n1)Br)C(=O)OC TS85232 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC TS56250 [0,2,0,0,0,0|1,0,0]=3 975 B12R1.358 Cc1cc(nc(n1)Cl)C(=O)NN TS48992 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.358 Cc1cc(nc(n1)Cl)C(=O)OC TS15727 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.435 CCC(=O)c1cccc(c1)OC TS02826 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.435 COC(=O)c1cccc(c1)CBr TS02301 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.435 COC(=O)c1cccc(c1)CCl TS60306 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.435 COC(=O)c1cccc(c1)CN TS19284 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.435 COC(=O)c1cccc(n1)C#N TS11514 [0,2,0,0,0,0|1,0,1]=4 982 B12R1.435 COC(=O)c1cccc(n1)C=O TS11989 [0,2,0,0,0,0|1,0,1]=4 983 B12R1.435 COC(=O)c1cccc(n1)CF TS12661 [0,2,0,0,0,0|1,0,0]=3 984 B12R1.435 COC(=O)c1cccc(n1)CO TS12368 [0,2,0,0,0,0|1,0,0]=3 985 B12R1.435 COC(=O)c1ccnc(c1)C#N TS42421 [0,2,0,0,0,0|1,0,1]=4 986 B12R1.435 COC(=O)c1ccnc(c1)CN TS56233 [0,2,0,0,0,0|1,0,0]=3 987 B12R1.435 COc1cc(ccn1)C(=O)OC TS88888 [0,2,0,0,0,0|1,0,0]=3 988 B12R1.435 COc1cccc(c1)C(=O)CBr TS01771 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.435 COc1cccc(c1)C(=O)OC TS12177 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.435 COc1cccc(n1)C(=O)NN TS12378 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.435 COc1cccc(n1)C(=O)OC TS12356 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.435 COc1cncc(n1)C(=O)OC TS12502 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.11 COc1cc(cc(n1)Cl)C(=O)Cl TS02143 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.11 COc1cc(cc(n1)Cl)C(=O)N TS15724 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.11 COc1cc(cc(n1)Cl)C(=O)O TS55269 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.511 Cc1cc(c(c(c1)C(=O)C)O)C TS08853 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.511 Cc1cc(c(c(c1)N)O)C(=O)C TS12008 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.511 c1(c(nc(nc1O)O)C(=O)O)Cl TS17182 [0,2,0,0,0,0|2,0,0]=4 999 B12R1.894 Cc1ccc(c(c1C)C(=O)C)C TS42484 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.894 Cc1ccc(c(c1Cl)C(=O)C)F TS49000 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.894 Cc1ccc(c(c1F)C(=O)C)Cl TS48995 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.894 Cc1ccc(c(c1F)C(=O)C)F TS45100 [0,2,0,0,0,0|2,0,0]=4 1003 B12R1.46 Cc1ncc(c(n1)C(=O)O)OC TS89724 [0,2,0,0,0,0|1,0,0]=3 1004 B12R1.453 CC(=O)c1cc(ccc1O)OC TS01830 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.453 CCc1ccc(c(c1)C(=O)C)O TS42737 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.453 CN(C)c1c(cnc(n1)OC)Br TS25172 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.453 COc1cc(c(cn1)Br)C(=O)O TS53248 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.453 COc1cc(c(cn1)Cl)C(=O)O TS50613 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.453 COc1cc(c(cn1)F)C(=O)O TS45275 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.453 COc1cc(c(cn1)N)C(=O)O TS71365 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.453 CSc1ncc(c(n1)C(=O)O)Br TS71404 [0,2,0,0,0,0|1,0,0]=3 1012 B12R1.453 CSc1ncc(c(n1)C(=O)O)Cl TS19874 [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.258 CC(=O)c1cccc(c1)C(=O)C TS42434 [0,2,0,0,0,0|2,0,0]=4 1014 B12R1.258 CC(=O)c1cccc(c1)N(C)C TS11719 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.258 CC(=O)c1cccc(n1)C(=O)C TS00683 [0,2,0,0,0,0|1,0,0]=3 1016 B12R1.258 CC(=O)c1cccc(n1)C(=O)O TS11987 [0,2,0,0,0,0|1,0,1]=4 1017 B12R1.258 CC(C)c1cc(ccn1)C(=O)N TS42776 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.258 CC(C)c1cccc(n1)C(=O)O TS85842 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.258 CN(C)c1ccnc(n1)N(C)C TS43128 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.279 CCOc1cc(ccn1)C(=O)O TS43218 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.279 CCOc1cccc(c1)C(=O)C TS42753 [0,2,0,0,0,0|2,0,0]=4 1022 B12R1.279 CCOc1cccc(n1)C(=O)O TS43204 [0,2,0,0,0,0|2,0,0]=4 1023 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|2,0,0]=4 1024 B10R2.32 c1c2c(c[nH]1)C(=O)CC2 TS04860 [0,0,0,1,1,0|2,0,0]=4 1025 B12R2.606 Cc1[nH]c2c(n1)cnc(n2)Cl TS92803 [0,0,0,1,0,1|2,0,0]=4 1026 B12R2.606 Cc1cc2cnc(nc2[nH]1)Cl TS90775 [0,0,0,1,0,1|2,0,0]=4 1027 B12R2.606 c1c2c(cnc1Cl)CC(=O)N2 TS87018 [0,0,0,1,0,1|2,0,0]=4 1028 B12R2.606 c1c2c(nc(n1)Cl)NC(=O)C2 TS89955 [0,0,0,1,0,1|1,0,0]=3 1029 B12R2.606 c1cc(nc2c1CC(=O)N2)Cl TS89332 [0,0,0,1,0,1|2,0,0]=4 1030 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 TS55624 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.132 c1cc(nc2c1CCC2=O)Cl TS43276 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.196 Cc1cccc2c1CCC2=O TS71227 [0,1,0,1,0,0|2,0,0]=4 1033 B8R0.28 CC(=CC=CC(=O)C)C TS35999 [0,0,1,0,1,0|1,0,0]=3 1034 B8R1.1 CCc1[nH]cc(n1)C TS04212 [1,0,0,0,1,0|1,0,1]=4 1035 B8R1.1 CCc1[nH]cc(n1)C TS45131 [1,0,0,0,1,0|1,0,1]=4 1036 B8R1.1 CCc1ccc(s1)C TS36173 [1,0,0,0,1,0|1,0,1]=4 1037 B8R1.1 CCc1nc(cs1)C TS36248 [1,0,0,0,1,0|1,0,1]=4 1038 B8R1.1 Cc1[nH]cc(n1)C=O TS46412 [1,0,0,0,1,0|0,0,1]=3 1039 B8R1.1 Cc1c[nH]c(n1)C=O TS04193 [1,0,0,0,1,0|1,0,0]=3 1040 B8R1.1 Cc1cc(sc1)C=O TS36137 [1,0,0,0,1,0|2,0,0]=4 1041 B8R1.1 Cc1ccc(o1)C=O TS29447 [1,0,0,0,1,0|1,0,0]=3 1042 B8R1.1 Cc1ccc(s1)C=O TS01147 [1,0,0,0,1,0|1,0,0]=3 1043 B8R1.1 Cc1coc(n1)C=O TS90033 [1,0,0,0,1,0|1,0,0]=3 1044 B8R1.1 Cc1csc(n1)C=O TS86523 [1,0,0,0,1,0|1,0,0]=3 1045 B8R1.1 Cc1nc(cs1)C=O TS55442 [1,0,0,0,1,0|1,0,0]=3 1046 B8R1.1 Cc1ncc(o1)C=O TS02441 [1,0,0,0,1,0|1,0,0]=3 1047 B8R1.1 Cc1ncc(s1)OC TS05467 [1,0,0,0,1,0|2,0,0]=4 1048 B8R1.1 Cn1cc(cn1)C=O TS00477 [1,0,0,0,1,0|2,0,0]=4 1049 B8R1.1 Cn1ccc(n1)C=O TS00048 [1,0,0,0,1,0|1,0,0]=3 1050 B8R1.1 c1c(nc(s1)Br)C=O TS55176 [1,0,0,0,1,0|2,0,0]=4 1051 B8R1.1 c1c(nc(s1)C=O)Br TS51392 [1,0,0,0,1,0|2,0,0]=4 1052 B8R1.1 c1c(sc(n1)Br)C=O TS08343 [1,0,0,0,1,0|2,0,0]=4 1053 B8R1.1 c1c(sc(n1)Cl)C=O TS07944 [1,0,0,0,1,0|2,0,0]=4 1054 B8R1.1 c1c(sc(n1)N)C=O TS00789 [1,0,0,0,1,0|2,0,0]=4 1055 B8R1.1 c1cc(oc1C=O)Br TS71428 [1,0,0,0,1,0|2,0,0]=4 1056 B8R1.1 c1cc(oc1C=O)I TS50041 [1,0,0,0,1,0|2,0,0]=4 1057 B8R1.1 c1cc(sc1C=O)Br TS71469 [1,0,0,0,1,0|2,0,0]=4 1058 B8R1.1 c1cc(sc1C=O)Cl TS60086 [1,0,0,0,1,0|2,0,0]=4 1059 B8R1.1 c1cc(sc1C=O)Cl TS77528 [1,0,0,0,1,0|2,0,0]=4 1060 B8R1.11 Cc1c(c[nH]n1)C=O TS70654 [1,0,0,0,1,0|1,0,0]=3 1061 B8R1.11 Cc1c(c[nH]n1)C=O TS91068 [1,0,0,0,1,0|1,0,0]=3 1062 B8R1.11 Cc1c(cco1)SC TS36315 [1,0,0,0,1,0|2,0,0]=4 1063 B8R1.11 Cc1c(nc[nH]1)C=O TS31818 [1,0,0,0,1,0|1,0,1]=4 1064 B8R1.11 Cc1c(scn1)C=C TS05104 [1,0,0,0,1,0|1,0,1]=4 1065 B8R1.11 Cc1c(scn1)C=O TS08697 [1,0,0,0,1,0|1,0,0]=3 1066 B8R1.11 Cc1c(snn1)C=O TS02239 [1,0,0,0,1,0|2,0,0]=4 1067 B8R1.11 Cc1cc[nH]c1C=O TS31796 [1,0,0,0,1,0|2,0,0]=4 1068 B8R1.11 Cc1ccsc1C=O TS70683 [1,0,0,0,1,0|2,0,0]=4 1069 B8R1.11 Cn1c(ccn1)C=O TS16650 [1,0,0,0,1,0|1,0,0]=3 1070 B8R1.11 Cn1cccc1C=O TS31795 [1,0,0,0,1,0|2,0,0]=4 1071 B8R1.11 c1nc(c(s1)C=O)Cl TS85466 [1,0,0,0,1,0|2,0,0]=4 1072 B8R1.7 C1C(=NC=N1)C(=O)O TS04278 [1,0,0,0,1,0|1,0,1]=4 1073 B8R1.7 CC(=C)c1nccs1 TS05103 [1,0,0,0,1,0|2,0,0]=4 1074 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [1,0,0,0,1,0|1,0,1]=4 1075 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [1,0,0,0,1,0|1,0,0]=3 1076 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [1,0,0,0,1,0|0,0,1]=3 1077 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,0,0,0,1,0|0,0,1]=3 1078 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,0,0,0,1,0|0,0,1]=3 1079 B8R1.7 CC(=O)c1ccco1 TS04188 [1,0,0,0,1,0|1,0,0]=3 1080 B8R1.7 CC(=O)c1cccs1 TS08262 [1,0,0,0,1,0|1,0,0]=3 1081 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [1,0,0,0,1,0|0,0,1]=3 1082 B8R1.7 CC(=O)c1ccns1 TS05261 [1,0,0,0,1,0|1,0,0]=3 1083 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,0,0,0,1,0|1,0,0]=3 1084 B8R1.7 CC(=O)c1cncs1 TS46736 [1,0,0,0,1,0|1,0,0]=3 1085 B8R1.7 CC(=O)c1cnns1 TS05327 [1,0,0,0,1,0|2,0,0]=4 1086 B8R1.7 CC(=O)c1nccs1 TS08261 [1,0,0,0,1,0|1,0,0]=3 1087 B8R1.7 CC(=O)n1cccn1 TS04194 [1,0,0,0,1,0|1,0,0]=3 1088 B8R1.7 CC(=O)n1ccnc1 TS93594 [1,0,0,0,1,0|1,0,0]=3 1089 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [1,0,0,0,1,0|2,0,0]=4 1090 B8R1.7 c1c(con1)C(=O)O TS56204 [1,0,0,0,1,0|2,0,0]=4 1091 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [1,0,0,0,1,0|1,0,1]=4 1092 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [1,0,0,0,1,0|1,0,1]=4 1093 B8R1.7 c1c(nco1)C(=O)O TS00378 [1,0,0,0,1,0|2,0,0]=4 1094 B8R1.7 c1c(ncs1)C(=O)N TS01722 [1,0,0,0,1,0|2,0,0]=4 1095 B8R1.7 c1c(nn[nH]1)C(=O)O TS32000 [1,0,0,0,1,0|2,0,0]=4 1096 B8R1.7 c1c(nns1)C(=O)N TS05450 [1,0,0,0,1,0|2,0,0]=4 1097 B8R1.7 c1c(nns1)C(=O)O TS59879 [1,0,0,0,1,0|2,0,0]=4 1098 B8R1.7 c1c(non1)C(=O)O TS59880 [1,0,0,0,1,0|2,0,0]=4 1099 B8R1.7 c1c(nsn1)C(=O)O TS46770 [1,0,0,0,1,0|2,0,0]=4 1100 B8R1.7 c1c(ocn1)C(=O)N TS04275 [1,0,0,0,1,0|2,0,0]=4 1101 B8R1.7 c1c(ocn1)C(=O)O TS01173 [1,0,0,0,1,0|2,0,0]=4 1102 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [1,0,0,0,1,0|1,0,1]=4 1103 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [1,0,0,0,1,0|1,0,1]=4 1104 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [1,0,0,0,1,0|1,0,1]=4 1105 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [1,0,0,0,1,0|1,0,1]=4 1106 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,0,0,0,1,0|2,0,0]=4 1107 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,0,0,0,1,0|2,0,0]=4 1108 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,0,0,0,1,0|2,0,0]=4 1109 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [1,0,0,0,1,0|2,0,0]=4 1110 B8R1.7 c1cc(sc1)C(=O)N TS05268 [1,0,0,0,1,0|2,0,0]=4 1111 B8R1.7 c1cc(sc1)C(=O)O TS59443 [1,0,0,0,1,0|2,0,0]=4 1112 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [1,0,0,0,1,0|2,0,0]=4 1113 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [1,0,0,0,1,0|2,0,0]=4 1114 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [1,0,0,0,1,0|2,0,0]=4 1115 B8R1.7 c1cnoc1C(=O)Cl TS56205 [1,0,0,0,1,0|2,0,0]=4 1116 B8R1.7 c1cnoc1C(=O)N TS04271 [1,0,0,0,1,0|2,0,0]=4 1117 B8R1.7 c1cnsc1C(=O)O TS05447 [1,0,0,0,1,0|2,0,0]=4 1118 B8R1.7 c1coc(n1)C(=O)N TS04277 [1,0,0,0,1,0|2,0,0]=4 1119 B8R1.7 c1coc(n1)C(=O)O TS39923 [1,0,0,0,1,0|2,0,0]=4 1120 B8R1.7 c1cocc1C(=O)Cl TS36565 [1,0,0,0,1,0|2,0,0]=4 1121 B8R1.7 c1cocc1C(=O)O TS02783 [1,0,0,0,1,0|2,0,0]=4 1122 B8R1.7 c1cocc1C(=O)O TS13775 [1,0,0,0,1,0|2,0,0]=4 1123 B8R1.7 c1conc1C(=O)O TS00353 [1,0,0,0,1,0|2,0,0]=4 1124 B8R1.7 c1csc(n1)C(=O)O TS05448 [1,0,0,0,1,0|2,0,0]=4 1125 B8R1.7 c1csc(n1)C(=O)O TS85376 [1,0,0,0,1,0|2,0,0]=4 1126 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,0,0,0,1,0|2,0,0]=4 1127 B8R1.7 c1cscc1C(=O)O TS59444 [1,0,0,0,1,0|2,0,0]=4 1128 B8R1.7 c1csnc1C(=O)O TS91622 [1,0,0,0,1,0|2,0,0]=4 1129 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,0,0,0,0,1|2,0,0]=4 1130 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [1,0,0,0,0,1|1,0,0]=3 1131 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [1,0,0,0,0,1|1,0,0]=3 1132 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [1,0,0,0,0,1|2,0,0]=4 1133 B10R1.18 CC(=O)Nc1ccccn1 TS36993 [1,0,0,0,0,1|1,0,0]=3 1134 B10R1.18 CC(=O)Nc1ccncc1 TS65112 [1,0,0,0,0,1|1,0,0]=3 1135 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [1,0,0,0,0,1|2,0,0]=4 1136 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [1,0,0,0,0,1|2,0,0]=4 1137 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [1,0,0,0,0,1|2,0,0]=4 1138 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [1,0,0,0,0,1|2,0,0]=4 1139 B10R1.18 c1cnccc1CC(=O)N TS36994 [1,0,0,0,0,1|2,0,0]=4 1140 B10R1.18 c1cncnc1CC(=O)O TS88488 [1,0,0,0,0,1|1,0,0]=3