0 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.13 B(c1ccc(cn1)C)(O)O H52517 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 B(c1ccc(nc1)C)(O)O H66327 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,0,0,0,0,0|1,0,0]=1 13 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,0,0,0,0,0|1,0,0]=1 16 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.13 CC(C)c1ccc(cc1)I B25476 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.13 CC(C)c1ccc(cc1)N A14646 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.13 CC(C)c1ccc(cc1)O B22620 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.13 CC(C)c1ccc(cc1)S A16038 [0,0,0,0,0,0|2,0,1]=3 23 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.13 CC(c1ccc(cc1)F)N L04575 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.13 CC(c1ccc(cc1)F)O B22097 [0,0,0,0,0,0|1,0,2]=3 29 B10R1.13 CC(c1ccc(cc1)N)O L03341 [0,0,0,0,0,0|1,0,2]=3 30 B10R1.13 CC(c1ccc(cc1)O)N H63700 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.13 CN(C)c1ccc(cc1)N A10343 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.13 CN(C)c1ccc(cc1)N A14175 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.13 CN(C)c1ccc(cc1)N A15962 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [0,0,0,0,0,0|2,0,1]=3 36 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [0,0,0,0,0,0|2,0,1]=3 37 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [0,0,0,0,0,0|2,0,1]=3 41 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [0,0,0,0,0,0|2,0,1]=3 42 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [0,0,0,0,0,0|2,0,1]=3 43 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,0,0,0,0,0|1,0,0]=1 45 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,0,0,0,0,0|0,0,0]=0 46 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,0,0,0,0,0|1,0,0]=1 47 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,0,0,0,0,0|1,0,0]=1 48 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,0,0,0,0,0|1,0,0]=1 49 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [0,0,0,0,0,0|1,1,0]=2 50 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [0,0,0,0,0,0|1,0,1]=2 51 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,0,0,0,0,0|0,0,2]=2 52 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [0,0,0,0,0,0|1,0,1]=2 55 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [0,0,0,0,0,0|1,0,1]=2 56 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,0,0,0,0,0|1,0,0]=1 58 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] H61750 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.13 c1c(cnc(n1)C(=O)O)Br H64041 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.13 c1c[n+](ccc1[N+](=O)[O-])[O-] B21404 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,0,0,0,0,0|3,0,0]=3 70 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,0,0,0,0,0|2,0,0]=2 76 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,0,0,0,0,0|2,0,0]=2 78 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,0,0,0,0,0|2,0,0]=2 79 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,0,0,0,0,0|2,0,0]=2 80 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,0,0,0,0,0|2,0,0]=2 81 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,0,0,0,0,0|2,0,0]=2 82 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,0,0,0,0,0|2,0,0]=2 83 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,0,0,0,0,0|2,0,0]=2 84 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,0,0,0,0,0|2,0,0]=2 85 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,0,0,0,0,0|2,0,0]=2 86 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,0,0,0,0,0|2,0,0]=2 87 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,0,0,0,0,0|2,0,0]=2 88 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,0,0,0,0,0|2,0,0]=2 89 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,0,0,0,0,0|2,0,0]=2 90 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,0,0,0,0,0|2,0,0]=2 91 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [0,0,0,0,0,0|2,1,0]=3 92 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,0,0,0,0,0|2,1,0]=3 93 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [0,0,0,0,0,0|2,1,0]=3 94 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [0,0,0,0,0,0|2,1,0]=3 95 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [0,0,0,0,0,0|2,1,0]=3 96 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [0,0,0,0,0,0|3,0,1]=4 98 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [0,0,0,0,0,0|3,0,0]=3 102 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [0,0,0,0,0,0|3,0,0]=3 103 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [0,0,0,0,0,0|3,0,0]=3 104 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [0,0,0,0,0,0|3,0,0]=3 105 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [0,0,0,0,0,0|3,0,0]=3 106 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [0,0,0,0,0,0|3,0,0]=3 107 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [0,0,0,0,0,0|3,0,0]=3 108 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [0,0,0,0,0,0|3,0,0]=3 109 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [0,0,0,0,0,0|3,0,0]=3 110 B10R1.13 c1cc(ncc1Br)[N+](=O)[O-] L19748 [0,0,0,0,0,0|4,0,0]=4 111 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [0,0,0,0,0,0|3,0,0]=3 112 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [0,0,0,0,0,0|3,0,0]=3 113 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [0,0,0,0,0,0|3,0,0]=3 114 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,0,0,0,0,0|3,0,0]=3 115 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,0,0,0,0,0|3,0,0]=3 116 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,0,0,0,0,0|3,0,0]=3 117 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,0,0,0,0,0|3,0,0]=3 118 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,0,0,0,0,0|3,0,0]=3 119 B10R1.13 c1cc(ncc1C(=S)N)N H51775 [0,0,0,0,0,0|3,1,0]=4 120 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [0,0,0,0,0,0|3,0,0]=3 121 B10R1.13 c1cc(ncc1Cl)[N+](=O)[O-] H27000 [0,0,0,0,0,0|4,0,0]=4 122 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [0,0,0,0,0,0|3,0,0]=3 123 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [0,0,0,0,0,0|3,0,0]=3 124 B10R1.13 c1cc(ncc1N)C(=S)N H54721 [0,0,0,0,0,0|3,1,0]=4 125 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [0,0,0,0,0,0|3,0,0]=3 126 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br L15661 [0,0,0,0,0,0|4,0,0]=4 127 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl A10709 [0,0,0,0,0,0|4,0,0]=4 128 B10R1.13 c1cc(ncc1[N+](=O)[O-])F H64210 [0,0,0,0,0,0|4,0,0]=4 129 B10R1.13 c1cc(ncc1[N+](=O)[O-])I H27103 [0,0,0,0,0,0|4,0,0]=4 130 B10R1.13 c1cc(ncc1[N+](=O)[O-])N A11352 [0,0,0,0,0,0|4,0,0]=4 131 B10R1.13 c1cc(ncc1[N+](=O)[O-])O A13921 [0,0,0,0,0,0|4,0,0]=4 132 B9R1.1 C#Cc1ccc(cc1)Br L19082 [1,0,0,0,0,0|1,0,2]=4 133 B9R1.1 C#Cc1ccc(cc1)Cl H51058 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.1 C#Cc1ccc(cc1)F H26269 [1,0,0,0,0,0|1,0,2]=4 135 B9R1.1 C=Cc1ccc(cc1)Br A17896 [1,0,0,0,0,0|1,0,1]=3 136 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [1,0,0,0,0,0|1,0,1]=3 137 B9R1.1 C=Cc1ccc(cc1)F A14775 [1,0,0,0,0,0|1,0,1]=3 138 B9R1.1 C=Cc1ccc(cc1)N L11845 [1,0,0,0,0,0|1,0,1]=3 139 B9R1.1 C=Cc1ccc(cc1)O L10902 [1,0,0,0,0,0|1,0,1]=3 140 B9R1.1 CCc1ccc(cc1)Br A13013 [1,0,0,0,0,0|1,0,1]=3 141 B9R1.1 CCc1ccc(cc1)C L02120 [1,0,0,0,0,0|0,0,1]=2 142 B9R1.1 CCc1ccc(cc1)Cl L07931 [1,0,0,0,0,0|1,0,1]=3 143 B9R1.1 CCc1ccc(cc1)F L05940 [1,0,0,0,0,0|1,0,1]=3 144 B9R1.1 CCc1ccc(cc1)I A14138 [1,0,0,0,0,0|1,0,1]=3 145 B9R1.1 CCc1ccc(cc1)N B24652 [1,0,0,0,0,0|1,0,1]=3 146 B9R1.1 CCc1ccc(cc1)O B23433 [1,0,0,0,0,0|1,0,1]=3 147 B9R1.1 CCc1ccc(cc1)S B25026 [1,0,0,0,0,0|1,0,1]=3 148 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [1,0,0,0,0,0|1,0,1]=3 149 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [1,0,0,0,0,0|1,0,1]=3 150 B9R1.1 CCc1ccc(nc1)C L06901 [1,0,0,0,0,0|1,0,1]=3 151 B9R1.1 CNc1ccc(cc1)Br H55273 [1,0,0,0,0,0|2,0,0]=3 152 B9R1.1 CNc1ccc(cc1)Cl B23962 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.1 CNc1ccc(cc1)F H55105 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.1 CNc1ccc(cc1)O 36674 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.1 CNc1ccc(cc1)O A16236 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.1 COc1cc[n+](cc1)[O-] L04709 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.1 COc1cc[n+](cc1)[O-] L17830 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.1 COc1ccc(cc1)Br A11824 [1,0,0,0,0,0|2,0,0]=3 159 B9R1.1 COc1ccc(cc1)Cl A11377 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.1 COc1ccc(cc1)F B23048 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.1 COc1ccc(cc1)I A12144 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.1 COc1ccc(cc1)N A10946 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.1 COc1ccc(cc1)O A14845 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.1 COc1ccc(cc1)O B23530 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.1 COc1ccc(cc1)S A16009 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [1,0,0,0,0,0|2,0,0]=3 169 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.1 COc1ccc(cn1)Br L20017 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.1 COc1ccc(cn1)Cl H59376 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.1 COc1ccc(cn1)F H30991 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.1 COc1ccc(cn1)I H50135 [1,0,0,0,0,0|3,0,0]=4 174 B9R1.1 COc1ccc(cn1)N H27528 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.1 CSc1ccc(cc1)Br A15504 [1,0,0,0,0,0|2,0,0]=3 176 B9R1.1 CSc1ccc(cc1)Cl A11025 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.1 CSc1ccc(cc1)F L04979 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.1 CSc1ccc(cc1)N L04950 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.1 CSc1ccc(cc1)O H26225 [1,0,0,0,0,0|2,0,0]=3 180 B9R1.1 CSc1ccc(cc1)S L09580 [1,0,0,0,0,0|2,0,0]=3 181 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.1 CSc1ccc(cn1)Br H27596 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.1 Cc1ccc(cc1)C#C B24812 [1,0,0,0,0,0|0,0,2]=3 184 B9R1.1 Cc1ccc(cc1)C#N B23029 [1,0,0,0,0,0|1,0,1]=3 185 B9R1.1 Cc1ccc(cc1)C=C L01480 [1,0,0,0,0,0|0,0,1]=2 186 B9R1.1 Cc1ccc(cc1)C=O A11384 [1,0,0,0,0,0|0,0,0]=1 187 B9R1.1 Cc1ccc(cc1)CBr A13297 [1,0,0,0,0,0|1,0,1]=3 188 B9R1.1 Cc1ccc(cc1)CCl A17183 [1,0,0,0,0,0|1,0,1]=3 189 B9R1.1 Cc1ccc(cc1)CN A13768 [1,0,0,0,0,0|1,0,1]=3 190 B9R1.1 Cc1ccc(cc1)CO A15315 [1,0,0,0,0,0|0,0,2]=3 191 B9R1.1 Cc1ccc(cc1)CS A10467 [1,0,0,0,0,0|0,1,1]=3 192 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [1,0,0,0,0,0|1,0,1]=3 193 B9R1.1 Cc1ccc(cc1)NN A14220 [1,0,0,0,0,0|2,0,0]=3 194 B9R1.1 Cc1ccc(cc1)OC A11572 [1,0,0,0,0,0|1,0,0]=2 195 B9R1.1 Cc1ccc(cc1)SC L02933 [1,0,0,0,0,0|1,0,0]=2 196 B9R1.1 Cc1ccc(cn1)C#N L09875 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.1 Cc1ccc(cn1)C=O H66926 [1,0,0,0,0,0|1,0,0]=2 198 B9R1.1 Cc1ccc(nc1)C#N H64539 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.1 c1c(cnc(n1)N)C=O H54440 [1,0,0,0,0,0|3,0,0]=4 200 B9R1.1 c1cc(ccc1C#N)Br A10914 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.1 c1cc(ccc1C#N)Cl A14524 [1,0,0,0,0,0|2,0,1]=4 202 B9R1.1 c1cc(ccc1C#N)F A13028 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.1 c1cc(ccc1C#N)I B25104 [1,0,0,0,0,0|2,0,1]=4 204 B9R1.1 c1cc(ccc1C#N)N A13794 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.1 c1cc(ccc1C#N)O A15803 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.1 c1cc(ccc1C#N)[Zn+] H58211 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.1 c1cc(ccc1C=O)Br A14237 [1,0,0,0,0,0|1,0,0]=2 208 B9R1.1 c1cc(ccc1C=O)Cl A12757 [1,0,0,0,0,0|1,0,0]=2 209 B9R1.1 c1cc(ccc1C=O)F A15383 [1,0,0,0,0,0|1,0,0]=2 210 B9R1.1 c1cc(ccc1C=O)I L17448 [1,0,0,0,0,0|1,0,0]=2 211 B9R1.1 c1cc(ccc1C=O)O A13580 [1,0,0,0,0,0|1,0,0]=2 212 B9R1.1 c1cc(ccc1CBr)Br A10892 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.1 c1cc(ccc1CBr)Cl B22858 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.1 c1cc(ccc1CBr)F A10208 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.1 c1cc(ccc1CBr)I A18200 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.1 c1cc(ccc1CCl)Br L11486 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.1 c1cc(ccc1CCl)Cl A14696 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.1 c1cc(ccc1CCl)F A14686 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.1 c1cc(ccc1CN)Br A10979 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.1 c1cc(ccc1CN)Cl A13984 [1,0,0,0,0,0|2,0,1]=4 221 B9R1.1 c1cc(ccc1CN)F A15486 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.1 c1cc(ccc1CN)I L17450 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.1 c1cc(ccc1CN)I L19967 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.1 c1cc(ccc1CO)Br A13197 [1,0,0,0,0,0|1,0,2]=4 225 B9R1.1 c1cc(ccc1CO)Cl A11504 [1,0,0,0,0,0|1,0,2]=4 226 B9R1.1 c1cc(ccc1CO)F A12336 [1,0,0,0,0,0|1,0,2]=4 227 B9R1.1 c1cc(ccc1CO)I L19278 [1,0,0,0,0,0|1,0,2]=4 228 B9R1.1 c1cc(ccc1CO)N A14130 [1,0,0,0,0,0|1,0,2]=4 229 B9R1.1 c1cc(ccc1CO)O A13132 [1,0,0,0,0,0|1,0,2]=4 230 B9R1.1 c1cc(ccc1CS)Br H26299 [1,0,0,0,0,0|1,1,1]=4 231 B9R1.1 c1cc(ccc1CS)Cl A19876 [1,0,0,0,0,0|1,1,1]=4 232 B9R1.1 c1cc(ccc1CS)F A10126 [1,0,0,0,0,0|1,1,1]=4 233 B9R1.1 c1cc(ccc1C[Mg+])Br H60905 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.1 c1cc(ccc1C[Mg+])Cl H54625 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.1 c1cc(ccc1C[Mg+])F H54990 [1,0,0,0,0,0|2,0,1]=4 236 B9R1.1 c1cc(ccc1C[Zn+])Br H58662 [1,0,0,0,0,0|2,0,1]=4 237 B9R1.1 c1cc(ccc1C[Zn+])Cl H58532 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.1 c1cc(ccc1C[Zn+])F H58847 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.1 c1cc(ccc1NN)Br A15590 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.1 c1cc(ccc1NN)Cl A14518 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.1 c1cc(ccc1NN)F A15624 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.1 c1cc(ccc1NN)I L14806 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.1 c1cc(ccc1[N+]#N)Br B25670 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.1 c1cc(ncc1Br)C=O H50154 [1,0,0,0,0,0|2,0,0]=3 245 B9R1.1 c1cc(ncc1C=O)Br H63867 [1,0,0,0,0,0|2,0,0]=3 246 B9R1.1 c1cc(ncc1C=O)Cl H55550 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [1,0,0,0,0,0|3,0,0]=4 248 B9R1.6 B(c1ccccc1)(O)O A14257 [1,0,0,0,0,0|2,0,1]=4 249 B9R1.6 B(c1ccccc1)(O)O L19459 [1,0,0,0,0,0|2,0,1]=4 250 B9R1.6 CC(=C)c1ccccc1 L03609 [1,0,0,0,0,0|1,0,0]=2 251 B9R1.6 CC(=O)c1ccccc1 A12727 [1,0,0,0,0,0|0,0,0]=1 252 B9R1.6 CC(=O)c1ccccn1 A12688 [1,0,0,0,0,0|1,0,0]=2 253 B9R1.6 CC(=O)c1cccnc1 A14246 [1,0,0,0,0,0|1,0,0]=2 254 B9R1.6 CC(=O)c1ccncc1 A12015 [1,0,0,0,0,0|1,0,0]=2 255 B9R1.6 CC(=O)c1ccnnc1 H66461 [1,0,0,0,0,0|2,0,0]=3 256 B9R1.6 CC(=O)c1cnccn1 A15917 [1,0,0,0,0,0|2,0,0]=3 257 B9R1.6 CC(C)c1ccccc1 A11864 [1,0,0,0,0,0|1,0,1]=3 258 B9R1.6 CC(c1ccccc1)Br A16839 [1,0,0,0,0,0|1,0,1]=3 259 B9R1.6 CC(c1ccccc1)N A15711 [1,0,0,0,0,0|1,0,1]=3 260 B9R1.6 CC(c1ccccc1)O A13837 [1,0,0,0,0,0|0,0,2]=3 261 B9R1.6 CC(c1ccccc1)S H26345 [1,0,0,0,0,0|0,1,1]=3 262 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [1,0,0,0,0,0|1,0,1]=3 263 B9R1.6 CC(c1ccccn1)N H26046 [1,0,0,0,0,0|2,0,1]=4 264 B9R1.6 CC(c1cccnc1)N H26047 [1,0,0,0,0,0|2,0,1]=4 265 B9R1.6 CC(c1ccncc1)N H50303 [1,0,0,0,0,0|2,0,1]=4 266 B9R1.6 CC(c1ccncc1)O H58711 [1,0,0,0,0,0|1,0,2]=4 267 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [1,0,0,0,0,0|3,0,0]=4 268 B9R1.6 CN(C)c1ccccc1 A11916 [1,0,0,0,0,0|2,0,0]=3 269 B9R1.6 CN(C)c1ccccn1 L02513 [1,0,0,0,0,0|3,0,0]=4 270 B9R1.6 CN(C)c1ccncc1 A13016 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.6 CN(C)c1ccncc1 H51715 [1,0,0,0,0,0|3,0,0]=4 272 B9R1.6 CN(c1ccccc1)N B22440 [1,0,0,0,0,0|2,0,0]=3 273 B9R1.6 CP(C)c1ccccc1 A17975 [1,0,0,0,0,0|2,0,0]=3 274 B9R1.6 CS(=O)c1ccccc1 A15009 [1,0,0,0,0,0|1,0,0]=2 275 B9R1.6 C[C@@H](c1ccccc1)N A12632 [1,0,0,0,0,0|1,0,1]=3 276 B9R1.6 C[C@@H](c1ccccc1)N L19118 [1,0,0,0,0,0|1,0,1]=3 277 B9R1.6 C[C@@H](c1ccccc1)O B21188 [1,0,0,0,0,0|0,0,2]=3 278 B9R1.6 C[C@H](c1ccccc1)N A10967 [1,0,0,0,0,0|1,0,1]=3 279 B9R1.6 C[C@H](c1ccccc1)N L19117 [1,0,0,0,0,0|1,0,1]=3 280 B9R1.6 C[C@H](c1ccccc1)O L19296 [1,0,0,0,0,0|0,0,2]=3 281 B9R1.6 C[C@H](c1ccncc1)O H51033 [1,0,0,0,0,0|1,0,2]=4 282 B9R1.6 C[SiH](C)c1ccccc1 L04558 [1,0,0,0,0,0|1,1,0]=3 283 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [1,0,0,0,0,0|1,0,0]=2 284 B9R1.6 c1c(cncn1)C(=O)O H61406 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.6 c1cc(cnc1)C(=N)N B20406 [1,0,0,0,0,0|3,0,0]=4 286 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.6 c1cc(cnc1)C(=O)N A15970 [1,0,0,0,0,0|2,0,0]=3 288 B9R1.6 c1cc(cnc1)C(=O)O A12683 [1,0,0,0,0,0|2,0,0]=3 289 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [1,0,0,0,0,0|2,0,0]=3 290 B9R1.6 c1cc(cnc1)C(=S)N A11144 [1,0,0,0,0,0|2,1,0]=4 291 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [1,0,0,0,0,0|3,0,0]=4 292 B9R1.6 c1cc(nnc1)C(=O)O H34341 [1,0,0,0,0,0|3,0,0]=4 293 B9R1.6 c1ccc(cc1)C(=N)N A16002 [1,0,0,0,0,0|2,0,0]=3 294 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [1,0,0,0,0,0|1,0,0]=2 295 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [1,0,0,0,0,0|1,0,0]=2 296 B9R1.6 c1ccc(cc1)C(=O)F L11464 [1,0,0,0,0,0|1,0,0]=2 297 B9R1.6 c1ccc(cc1)C(=O)N A10501 [1,0,0,0,0,0|1,0,0]=2 298 B9R1.6 c1ccc(cc1)C(=O)O 36230 [1,0,0,0,0,0|1,0,0]=2 299 B9R1.6 c1ccc(cc1)C(=O)O A14062 [1,0,0,0,0,0|1,0,0]=2 300 B9R1.6 c1ccc(cc1)C(=O)O H25864 [1,0,0,0,0,0|1,0,0]=2 301 B9R1.6 c1ccc(cc1)C(=O)O L19473 [1,0,0,0,0,0|1,0,0]=2 302 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [1,0,0,0,0,0|1,0,0]=2 303 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [1,0,0,0,0,0|1,0,0]=2 304 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [1,0,0,0,0,0|1,0,0]=2 305 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [1,0,0,0,0,0|1,0,0]=2 306 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [1,0,0,0,0,0|1,0,0]=2 307 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [1,0,0,0,0,0|1,0,0]=2 308 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [1,0,0,0,0,0|1,0,0]=2 309 B9R1.6 c1ccc(cc1)C(=S)N A12973 [1,0,0,0,0,0|1,1,0]=3 310 B9R1.6 c1ccc(cc1)C(=S)O B24458 [1,0,0,0,0,0|1,0,1]=3 311 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [1,0,0,0,0,0|1,0,1]=3 312 B9R1.6 c1ccc(cc1)P(=O)O A17453 [1,0,0,0,0,0|2,0,0]=3 313 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [1,0,0,0,0,0|3,0,0]=4 314 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [1,0,0,0,0,0|2,0,0]=3 315 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [1,0,0,0,0,0|2,0,0]=3 316 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [1,0,0,0,0,0|2,0,0]=3 317 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [1,0,0,0,0,0|2,0,0]=3 318 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [1,0,0,0,0,0|2,1,0]=4 319 B9R1.6 c1ccnc(c1)C(=N)N A10942 [1,0,0,0,0,0|3,0,0]=4 320 B9R1.6 c1ccnc(c1)C(=O)N A15410 [1,0,0,0,0,0|2,0,0]=3 321 B9R1.6 c1ccnc(c1)C(=O)O A14749 [1,0,0,0,0,0|2,0,0]=3 322 B9R1.6 c1ccnc(c1)C(=S)N H51710 [1,0,0,0,0,0|2,1,0]=4 323 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [1,0,0,0,0,0|3,0,0]=4 324 B9R1.6 c1cnc(cn1)C(=O)Cl H50418 [1,0,0,0,0,0|3,0,0]=4 325 B9R1.6 c1cnc(cn1)C(=O)O A13363 [1,0,0,0,0,0|3,0,0]=4 326 B9R1.6 c1cnc(nc1)C(=O)O H54745 [1,0,0,0,0,0|3,0,0]=4 327 B9R1.6 c1cnccc1C(=N)N A11050 [1,0,0,0,0,0|3,0,0]=4 328 B9R1.6 c1cnccc1C(=O)Cl A10863 [1,0,0,0,0,0|2,0,0]=3 329 B9R1.6 c1cnccc1C(=O)N A18190 [1,0,0,0,0,0|2,0,0]=3 330 B9R1.6 c1cnccc1C(=O)O A18109 [1,0,0,0,0,0|2,0,0]=3 331 B9R1.6 c1cnccc1C(=S)N B25265 [1,0,0,0,0,0|2,1,0]=4 332 B9R1.6 c1cncnc1C(=O)O H60022 [1,0,0,0,0,0|3,0,0]=4 333 B9R1.6 c1cnncc1C(=O)O H27246 [1,0,0,0,0,0|3,0,0]=4 334 B11R1.3 B(c1ccc(cc1)CBr)(O)O L19953 [0,1,0,0,0,0|2,0,1]=4 335 B11R1.3 B(c1ccc(cc1)CC)(O)O B24656 [0,1,0,0,0,0|2,0,1]=4 336 B11R1.3 B(c1ccc(cc1)CCl)(O)O H53328 [0,1,0,0,0,0|2,0,1]=4 337 B11R1.3 B(c1ccc(cc1)CN)(O)O H52855 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.3 B(c1ccc(cc1)CO)(O)O L15194 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.3 B(c1ccc(cc1)OC)(O)O A14462 [0,1,0,0,0,0|2,0,1]=4 340 B11R1.3 B(c1ccc(cc1)SC)(O)O B23454 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.3 C#Cc1ccc(cc1)C(=O)[O-] L19292 [0,1,0,0,0,0|1,0,1]=3 342 B11R1.3 C=Cc1ccc(cc1)C(=O)O A11107 [0,1,0,0,0,0|1,0,1]=3 343 B11R1.3 C=Cc1ccc(cc1)[N+](=O)[O-] H30118 [0,1,0,0,0,0|2,0,1]=4 344 B11R1.3 CC(=O)c1ccc(cc1)C#N A14271 [0,1,0,0,0,0|0,0,1]=2 345 B11R1.3 CC(=O)c1ccc(cc1)NC H55301 [0,1,0,0,0,0|0,0,0]=1 346 B11R1.3 CC(=O)c1ccc(cc1)OC A11162 [0,1,0,0,0,0|0,0,0]=1 347 B11R1.3 CC(=O)c1ccc(cc1)SC L18074 [0,1,0,0,0,0|0,0,0]=1 348 B11R1.3 CC(C)c1ccc(cc1)C#N A11954 [0,1,0,0,0,0|1,0,2]=4 349 B11R1.3 CC(C)c1ccc(cc1)C=O A14019 [0,1,0,0,0,0|1,0,2]=4 350 B11R1.3 CC(C)c1ccc(cc1)CCl L11839 [0,1,0,0,0,0|1,0,1]=3 351 B11R1.3 CC(C)c1ccc(cc1)CN H54044 [0,1,0,0,0,0|1,0,1]=3 352 B11R1.3 CC(C)c1ccc(cc1)CO A12172 [0,1,0,0,0,0|1,0,1]=3 353 B11R1.3 CC(C)c1ccc(cc1)NN A12416 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.3 CC(C)c1ccc(cc1)OC A16970 [0,1,0,0,0,0|1,0,1]=3 355 B11R1.3 CC(C)c1ccc(cc1)OO L06866 [0,1,0,0,0,0|2,0,1]=4 356 B11R1.3 CC(c1ccc(cc1)OC)O L12062 [0,1,0,0,0,0|0,0,2]=3 357 B11R1.3 CCc1ccc(cc1)C(=O)C B21557 [0,1,0,0,0,0|0,0,0]=1 358 B11R1.3 CCc1ccc(cc1)C(=O)Cl A11698 [0,1,0,0,0,0|1,0,0]=2 359 B11R1.3 CCc1ccc(cc1)C(=O)N L08339 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.3 CCc1ccc(cc1)C(=O)O A10235 [0,1,0,0,0,0|1,0,0]=2 361 B11R1.3 CCc1ccc(cc1)C(=S)N H52265 [0,1,0,0,0,0|1,1,0]=3 362 B11R1.3 CN(C)c1ccc(cc1)C#N A13117 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.3 CN(C)c1ccc(cc1)C=O 36684 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.3 CN(C)c1ccc(cc1)C=O A11712 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.3 CN(C)c1ccc(cc1)N=O A18301 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.3 CNc1ccc(cc1)C(=O)O A12426 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.3 CNc1ccc(cc1)[N+](=O)[O-] A15548 [0,1,0,0,0,0|2,0,0]=3 368 B11R1.3 COc1ccc(cc1)C(=O)Cl L13120 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.3 COc1ccc(cc1)C(=O)N B22614 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.3 COc1ccc(cc1)C(=O)O A15697 [0,1,0,0,0,0|1,0,0]=2 371 B11R1.3 COc1ccc(cc1)C(=S)N L10945 [0,1,0,0,0,0|1,1,0]=3 372 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] A19152 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.3 COc1cnc(cn1)C(=O)O H66826 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.3 CSc1ccc(cc1)C(=O)O B25706 [0,1,0,0,0,0|1,0,0]=2 375 B11R1.3 CSc1ccc(cc1)C(=S)N H51848 [0,1,0,0,0,0|1,1,0]=3 376 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] B20339 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.3 C[C@@H](c1ccc(cc1)OC)N L16322 [0,1,0,0,0,0|1,0,1]=3 378 B11R1.3 C[C@H](c1ccc(cc1)OC)N L16321 [0,1,0,0,0,0|1,0,1]=3 379 B11R1.3 c1cc(ccc1C#N)C(=O)Cl B24333 [0,1,0,0,0,0|1,0,1]=3 380 B11R1.3 c1cc(ccc1C#N)C(=O)N B25600 [0,1,0,0,0,0|1,0,1]=3 381 B11R1.3 c1cc(ccc1C#N)C(=O)O A15434 [0,1,0,0,0,0|1,0,1]=3 382 B11R1.3 c1cc(ccc1C#N)[N+](=O)[O-] A12783 [0,1,0,0,0,0|2,0,1]=4 383 B11R1.3 c1cc(ccc1C(=O)O)NN A13874 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.3 c1cc(ccc1C(=O)O)NN B20326 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.3 c1cc(ccc1C=O)C(=O)O A15277 [0,1,0,0,0,0|1,0,1]=3 386 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] A11655 [0,1,0,0,0,0|2,0,1]=4 387 B11R1.3 c1cc(ccc1CBr)C(=O)Br H37682 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.3 c1cc(ccc1CBr)C(=O)O L03371 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.3 c1cc(ccc1CBr)[N+](=O)[O-] A15236 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.3 c1cc(ccc1CCl)C(=O)O B22275 [0,1,0,0,0,0|1,0,0]=2 391 B11R1.3 c1cc(ccc1CCl)[N+](=O)[O-] A15749 [0,1,0,0,0,0|2,0,0]=3 392 B11R1.3 c1cc(ccc1CN)C(=O)O B23519 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.3 c1cc(ccc1CN)[N+](=O)[O-] B21748 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.3 c1cc(ccc1CO)C(=O)O B22183 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] A15742 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.3 c1cc(ccc1[N+]#N)[N+](=O)[O-] H55315 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.3 c1cc(ncc1C#N)C(=O)O H33722 [0,1,0,0,0,0|2,0,1]=4 398 B11R1.3 c1cc(ncc1C(=O)O)C#N L17127 [0,1,0,0,0,0|2,0,1]=4 399 B11R1.19 CC(C)(C)c1ccc(cc1)Br A15924 [0,1,0,0,0,0|2,0,1]=4 400 B11R1.19 CC(C)(C)c1ccc(cc1)I L11603 [0,1,0,0,0,0|2,0,1]=4 401 B11R1.19 CC(C)(C)c1ccc(cc1)N A10925 [0,1,0,0,0,0|2,0,1]=4 402 B11R1.19 CC(C)(C)c1ccc(cc1)O A15871 [0,1,0,0,0,0|2,0,1]=4 403 B11R1.19 CC(C)(C)c1ccc(cc1)S A12148 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.19 CC(C)(C)c1ccc(cc1)S H28235 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.19 CC(C)(C)c1ccc(cc1)[Mg+] H54284 [0,1,0,0,0,0|2,0,1]=4 406 B11R1.19 CC(C)(c1ccc(cc1)Br)O H64919 [0,1,0,0,0,0|1,0,2]=4 407 B11R1.19 CC(C)(c1ccc(cc1)Cl)N H32527 [0,1,0,0,0,0|2,0,1]=4 408 B11R1.19 CC(C)(c1ccc(cc1)N)N H35819 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.19 CS(=O)(=O)c1ccc(cc1)Br A11427 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.19 CS(=O)(=O)c1ccc(cc1)Cl A15429 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.19 CS(=O)(=O)c1ccc(cc1)F A12863 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.19 CS(=O)(=O)c1ccc(cc1)N B23202 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.19 CS(=O)(=O)c1ccc(cc1)N H64697 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.19 CS(=O)(=O)c1ccc(cc1)O H32935 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.19 Cc1ccc(cc1)C(C)(C)C A18214 [0,1,0,0,0,0|1,0,1]=3 416 B11R1.19 Cc1ccc(cc1)C(C)(C)N H66232 [0,1,0,0,0,0|1,0,1]=3 417 B11R1.19 Cc1ccc(cc1)C(F)(F)F L11043 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C A11531 [0,1,0,0,0,0|1,0,0]=2 419 B11R1.19 Cc1ccc(cc1)S(=O)(=O)Cl A14547 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.19 Cc1ccc(cc1)S(=O)(=O)F L12204 [0,1,0,0,0,0|2,0,0]=3 421 B11R1.19 Cc1ccc(cc1)S(=O)(=O)N A12156 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 36506 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O 44002 [0,1,0,0,0,0|2,0,0]=3 424 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O A14119 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O B23279 [0,1,0,0,0,0|2,0,0]=3 426 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H52410 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H52729 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O H56018 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O L09001 [0,1,0,0,0,0|2,0,0]=3 430 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O L19755 [0,1,0,0,0,0|2,0,0]=3 431 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] 20899 [0,1,0,0,0,0|2,0,0]=3 432 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] A15708 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] A17073 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] A19332 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] B21929 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] H55218 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] L00307 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.19 Cc1ccc(cc1)S(=O)(=O)[O-] L11088 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C A17884 [0,1,0,0,0,0|1,1,0]=3 440 B11R1.19 Cc1ccc(cc1)[Si](Cl)(Cl)Cl B21728 [0,1,0,0,0,0|2,1,0]=4 441 B11R1.19 [B-](c1ccc(cc1)C)(F)(F)F L17604 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.19 c1cc(ccc1F)S(=O)(=O)Cl L07299 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.19 c1cc(ccc1F)S(=O)(=O)N H55834 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.19 c1cc(ccc1N)S(=O)(=O)N A13001 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.19 c1cc(ccc1N)S(=O)(=O)O 41540 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.19 c1cc(ccc1N)S(=O)(=O)O A15825 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.19 c1cc(ccc1N)[As](=O)(O)O B24595 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.19 c1cc(ccc1O)S(=O)(=O)O H59917 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.19 c1cc(ccc1O)S(=O)(=O)[O-] A14808 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Br A15909 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Cl A10271 [0,1,0,0,0,0|3,0,0]=4 452 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)I B24416 [0,1,0,0,0,0|3,0,0]=4 453 B11R1.19 c1cc(ccc1S(=O)(=O)N)Br L08602 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.19 c1cc(ccc1S(=O)(=O)N)Cl A16735 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.21 B(c1ccc(c(c1)C)C)(O)O L17461 [0,1,0,0,0,0|2,0,1]=4 456 B11R1.21 B(c1ccc(c(c1)Cl)C)(O)O H28288 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.21 B(c1ccc(c(c1)F)C)(O)O B24512 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.21 B(c1ccc(c(c1)N)C)(O)O L17695 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.21 CC(=O)c1ccc(c(c1)Br)F B22091 [0,1,0,0,0,0|1,0,0]=2 460 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl A13568 [0,1,0,0,0,0|1,0,0]=2 461 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F A15158 [0,1,0,0,0,0|1,0,0]=2 462 B11R1.21 CC(=O)c1ccc(c(c1)F)Br H62040 [0,1,0,0,0,0|1,0,0]=2 463 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl H26373 [0,1,0,0,0,0|1,0,0]=2 464 B11R1.21 CC(=O)c1ccc(c(c1)F)F A15832 [0,1,0,0,0,0|1,0,0]=2 465 B11R1.21 CC(=O)c1ccc(c(c1)F)O L19892 [0,1,0,0,0,0|1,0,0]=2 466 B11R1.21 CC(=O)c1ccc(c(c1)O)F H32965 [0,1,0,0,0,0|1,0,0]=2 467 B11R1.21 CC(C)c1ccc(c(c1)Br)N A14995 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.21 Cc1cc(ccc1Br)C(=O)Cl L16157 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.21 Cc1cc(ccc1Br)C(=O)N L16176 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.21 Cc1cc(ccc1Br)C(=O)O A14302 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.21 Cc1cc(ccc1Br)[N+](=O)[O-] A15450 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.21 Cc1cc(ccc1Cl)C(=O)C L06011 [0,1,0,0,0,0|1,0,0]=2 473 B11R1.21 Cc1cc(ccc1Cl)C(=O)Cl H66109 [0,1,0,0,0,0|2,0,0]=3 474 B11R1.21 Cc1cc(ccc1Cl)C(=O)O L08533 [0,1,0,0,0,0|2,0,0]=3 475 B11R1.21 Cc1cc(ccc1Cl)[N+](=O)[O-] L10832 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.21 Cc1cc(ccc1F)C(=O)C H32499 [0,1,0,0,0,0|1,0,0]=2 477 B11R1.21 Cc1cc(ccc1F)C(=O)Cl B23188 [0,1,0,0,0,0|2,0,0]=3 478 B11R1.21 Cc1cc(ccc1F)C(=O)O B24112 [0,1,0,0,0,0|2,0,0]=3 479 B11R1.21 Cc1cc(ccc1F)C(=S)N H33778 [0,1,0,0,0,0|2,1,0]=4 480 B11R1.21 Cc1cc(ccc1F)[N+](=O)[O-] A14649 [0,1,0,0,0,0|3,0,0]=4 481 B11R1.21 Cc1cc(ccc1I)[N+](=O)[O-] L07842 [0,1,0,0,0,0|3,0,0]=4 482 B11R1.21 Cc1cc(ccc1N)C(=O)O B24579 [0,1,0,0,0,0|2,0,0]=3 483 B11R1.21 Cc1cc(ccc1N)C(=S)N H58969 [0,1,0,0,0,0|2,1,0]=4 484 B11R1.21 Cc1cc(ccc1N)[N+](=O)[O-] A15941 [0,1,0,0,0,0|3,0,0]=4 485 B11R1.21 Cc1cc(ccc1O)C(=O)C A18540 [0,1,0,0,0,0|1,0,0]=2 486 B11R1.21 Cc1cc(ccc1O)C(=O)O H27792 [0,1,0,0,0,0|2,0,0]=3 487 B11R1.21 Cc1ccc(cc1Br)C(=O)O A11496 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.21 Cc1ccc(cc1Br)[N+](=O)[O-] A14865 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.21 Cc1ccc(cc1C)C(=O)C A12187 [0,1,0,0,0,0|0,0,0]=1 490 B11R1.21 Cc1ccc(cc1C)C(=O)N A11995 [0,1,0,0,0,0|1,0,0]=2 491 B11R1.21 Cc1ccc(cc1C)C(=O)O A19260 [0,1,0,0,0,0|1,0,0]=2 492 B11R1.21 Cc1ccc(cc1C)C(=S)N H51793 [0,1,0,0,0,0|1,1,0]=3 493 B11R1.21 Cc1ccc(cc1C)[N+](=O)[O-] L05342 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.21 Cc1ccc(cc1Cl)C(=O)O B21228 [0,1,0,0,0,0|1,0,0]=2 495 B11R1.21 Cc1ccc(cc1Cl)[N+](=O)[O-] B23542 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.21 Cc1ccc(cc1F)C(=O)C B24108 [0,1,0,0,0,0|0,0,0]=1 497 B11R1.21 Cc1ccc(cc1F)C(=O)Cl B22846 [0,1,0,0,0,0|1,0,0]=2 498 B11R1.21 Cc1ccc(cc1F)C(=O)O A12981 [0,1,0,0,0,0|1,0,0]=2 499 B11R1.21 Cc1ccc(cc1F)C(=S)N H26479 [0,1,0,0,0,0|1,1,0]=3 500 B11R1.21 Cc1ccc(cc1F)[N+](=O)[O-] A14464 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.21 Cc1ccc(cc1I)C(=O)O A14197 [0,1,0,0,0,0|1,0,0]=2 502 B11R1.21 Cc1ccc(cc1I)[N+](=O)[O-] B21491 [0,1,0,0,0,0|2,0,0]=3 503 B11R1.21 Cc1ccc(cc1N)C(=O)N B25367 [0,1,0,0,0,0|1,0,0]=2 504 B11R1.21 Cc1ccc(cc1N)C(=O)O A12674 [0,1,0,0,0,0|1,0,0]=2 505 B11R1.21 Cc1ccc(cc1N)[N+](=O)[O-] A17726 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.21 Cc1ccc(cc1O)C(=O)O B21501 [0,1,0,0,0,0|1,0,0]=2 507 B11R1.21 Cc1ccc(cc1O)[N+](=O)[O-] B20472 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O H32384 [0,1,0,0,0,0|3,0,0]=4 509 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O B25586 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O A15737 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)Cl A17006 [0,1,0,0,0,0|2,0,0]=3 512 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F B20217 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F L08188 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.21 c1cc(c(cc1C(=O)N)Br)F H59709 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl A13878 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.21 c1cc(c(cc1C(=O)N)Cl)F A14392 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.21 c1cc(c(cc1C(=O)N)F)Br H59993 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.21 c1cc(c(cc1C(=O)N)F)F A19957 [0,1,0,0,0,0|2,0,0]=3 519 B11R1.21 c1cc(c(cc1C(=O)N)N)Cl B25294 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl L19244 [0,1,0,0,0,0|2,0,0]=3 521 B11R1.21 c1cc(c(cc1C(=O)O)Br)F B24711 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.21 c1cc(c(cc1C(=O)O)Br)O B21338 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Br H27252 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl A15873 [0,1,0,0,0,0|2,0,0]=3 525 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F A12814 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N H55590 [0,1,0,0,0,0|2,0,0]=3 527 B11R1.21 c1cc(c(cc1C(=O)O)Cl)O A12134 [0,1,0,0,0,0|2,0,0]=3 528 B11R1.21 c1cc(c(cc1C(=O)O)F)Br B25475 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl H26161 [0,1,0,0,0,0|2,0,0]=3 530 B11R1.21 c1cc(c(cc1C(=O)O)F)F A15876 [0,1,0,0,0,0|2,0,0]=3 531 B11R1.21 c1cc(c(cc1C(=O)O)F)I H61724 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.21 c1cc(c(cc1C(=O)O)F)N H26092 [0,1,0,0,0,0|2,0,0]=3 533 B11R1.21 c1cc(c(cc1C(=O)O)F)O B22160 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl H33513 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.21 c1cc(c(cc1C(=O)O)I)F H33762 [0,1,0,0,0,0|2,0,0]=3 536 B11R1.21 c1cc(c(cc1C(=O)O)I)N H32263 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.21 c1cc(c(cc1C(=O)O)N)Br H60627 [0,1,0,0,0,0|2,0,0]=3 538 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl A12671 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.21 c1cc(c(cc1C(=O)O)N)F H61233 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.21 c1cc(c(cc1C(=O)O)N)N A14213 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.21 c1cc(c(cc1C(=O)O)N)O A13487 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.21 c1cc(c(cc1C(=O)O)O)F B25340 [0,1,0,0,0,0|2,0,0]=3 543 B11R1.21 c1cc(c(cc1C(=O)O)O)I H27502 [0,1,0,0,0,0|2,0,0]=3 544 B11R1.21 c1cc(c(cc1C(=O)O)O)N A10207 [0,1,0,0,0,0|2,0,0]=3 545 B11R1.21 c1cc(c(cc1C(=O)O)O)O B24016 [0,1,0,0,0,0|2,0,0]=3 546 B11R1.21 c1cc(c(cc1C(=S)N)Cl)Cl H34280 [0,1,0,0,0,0|2,1,0]=4 547 B11R1.21 c1cc(c(cc1C(=S)N)Cl)F L11132 [0,1,0,0,0,0|2,1,0]=4 548 B11R1.21 c1cc(c(cc1C(=S)N)F)F H54564 [0,1,0,0,0,0|2,1,0]=4 549 B11R1.21 c1cc(c(cc1C(=S)N)O)O H54875 [0,1,0,0,0,0|2,1,0]=4 550 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)F H64045 [0,1,0,0,0,0|3,0,0]=4 551 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Br L07573 [0,1,0,0,0,0|3,0,0]=4 552 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)Cl A10620 [0,1,0,0,0,0|3,0,0]=4 553 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)F A16183 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)I A19340 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)N A16586 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O B21561 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)Br H61494 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)F A11060 [0,1,0,0,0,0|3,0,0]=4 559 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)N H55174 [0,1,0,0,0,0|3,0,0]=4 560 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)O A13134 [0,1,0,0,0,0|3,0,0]=4 561 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Br L02597 [0,1,0,0,0,0|3,0,0]=4 562 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)Cl A15102 [0,1,0,0,0,0|3,0,0]=4 563 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)F A17545 [0,1,0,0,0,0|3,0,0]=4 564 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)N L04693 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.21 c1cc(c(cc1[N+](=O)[O-])N)O A13964 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)N B20870 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.21 c1cc(c(cc1[N+](=O)[O-])O)O A12122 [0,1,0,0,0,0|3,0,0]=4 568 B11R1.21 c1cc(nc(c1Cl)Cl)C(=O)O H64320 [0,1,0,0,0,0|3,0,0]=4 569 B11R1.21 c1cc(nc(c1F)Cl)C(=O)O H64734 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,1,0,0,0,0|1,0,0]=2 571 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,1,0,0,0,0|0,0,0]=1 572 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,1,0,0,0,0|1,0,0]=2 573 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,1,0,0,0,0|1,0,0]=2 574 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,1,0,0,0,0|1,0,0]=2 575 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [0,1,0,0,0,0|1,0,0]=2 576 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,1,0,0,0,0|1,0,0]=2 577 B11R1.22 CNC(=O)c1ccc(cn1)Br H54947 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [0,1,0,0,0,0|2,0,0]=3 579 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,1,0,0,0,0|1,0,0]=2 580 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,1,0,0,0,0|1,0,0]=2 581 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,1,0,0,0,0|1,0,0]=2 582 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,1,0,0,0,0|1,0,0]=2 583 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,1,0,0,0,0|1,0,0]=2 584 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,1,0,0,0,0|1,0,0]=2 585 B11R1.22 COC(=O)c1ccc(cn1)Br B25415 [0,1,0,0,0,0|2,0,0]=3 586 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [0,1,0,0,0,0|3,0,0]=4 590 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [0,1,0,0,0,0|3,0,0]=4 591 B11R1.22 COC(=O)c1ncc(cn1)Br H61339 [0,1,0,0,0,0|3,0,0]=4 592 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,1,0,0,0,0|0,0,0]=1 593 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [0,1,0,0,0,0|0,0,0]=1 594 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,1,0,0,0,0|1,0,0]=2 595 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,1,0,0,0,0|0,0,0]=1 596 B11R1.22 Cc1ccc(cc1)\C(=N\O)\N H51704 [0,1,0,0,0,0|1,0,1]=3 597 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,1,0,0,0,0|1,0,0]=2 598 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [0,1,0,0,0,0|1,0,1]=3 599 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,1,0,0,0,0|1,0,0]=2 601 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,1,0,0,0,0|1,0,0]=2 602 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,1,0,0,0,0|1,0,0]=2 603 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,1,0,0,0,0|1,0,0]=2 604 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,1,0,0,0,0|1,0,0]=2 605 B11R1.22 c1cc(ccc1C(=O)NN)Br A18918 [0,1,0,0,0,0|2,0,0]=3 606 B11R1.22 c1cc(ccc1C(=O)NN)Cl A11911 [0,1,0,0,0,0|2,0,0]=3 607 B11R1.22 c1cc(ccc1C(=O)NN)F H53496 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.22 c1cc(ccc1C(=O)NN)N A10963 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.22 c1cc(ccc1C(=O)NN)O A12702 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.22 c1cc(ccc1\C(=N\O)\N)F H66567 [0,1,0,0,0,0|2,0,1]=4 611 B11R1.22 c1cc(ccc1\C(=N\O)\N)N H51788 [0,1,0,0,0,0|2,0,1]=4 612 B11R1.22 c1cc(ccc1\C(=N\O)\N)O H52148 [0,1,0,0,0,0|2,0,1]=4 613 B11R1.166 B(c1ccc(cc1C)C)(O)O B23076 [0,1,0,0,0,0|2,0,1]=4 614 B11R1.166 B(c1ccc(cc1Cl)C)(O)O H28604 [0,1,0,0,0,0|2,0,1]=4 615 B11R1.166 B(c1ccc(cc1F)C)(O)O H53265 [0,1,0,0,0,0|2,0,1]=4 616 B11R1.166 CC(=O)c1c[nH]c(=O)[nH]c1=O 44378 [0,1,0,0,0,0|3,0,0]=4 617 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [0,1,0,0,0,0|1,0,0]=2 618 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,1,0,0,0,0|1,0,0]=2 619 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,1,0,0,0,0|1,0,0]=2 620 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,1,0,0,0,0|1,0,0]=2 621 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [0,1,0,0,0,0|1,0,0]=2 622 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,1,0,0,0,0|1,0,0]=2 623 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [0,1,0,0,0,0|1,0,0]=2 624 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,1,0,0,0,0|1,0,0]=2 625 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,1,0,0,0,0|1,0,0]=2 626 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,1,0,0,0,0|1,0,0]=2 627 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,1,0,0,0,0|1,0,0]=2 628 B11R1.166 CC(c1ccc(cc1Cl)F)O H31958 [0,1,0,0,0,0|1,0,2]=4 629 B11R1.166 Cc1c(cnc(n1)N)C(=O)C B20262 [0,1,0,0,0,0|3,0,0]=4 630 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,1,0,0,0,0|2,0,0]=3 631 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,1,0,0,0,0|1,0,0]=2 632 B11R1.166 Cc1cc(ccc1C(=O)O)Br L03071 [0,1,0,0,0,0|2,0,0]=3 633 B11R1.166 Cc1cc(ccc1C(=O)O)Cl H27262 [0,1,0,0,0,0|2,0,0]=3 634 B11R1.166 Cc1cc(ccc1C(=O)O)F H26801 [0,1,0,0,0,0|2,0,0]=3 635 B11R1.166 Cc1cc(ccc1C(=O)O)N H31657 [0,1,0,0,0,0|2,0,0]=3 636 B11R1.166 Cc1cc(ccc1C(=O)O)O H60810 [0,1,0,0,0,0|2,0,0]=3 637 B11R1.166 Cc1cc(ccc1C(=S)N)Br H55421 [0,1,0,0,0,0|2,1,0]=4 638 B11R1.166 Cc1cc(ccc1C(=S)N)F H33221 [0,1,0,0,0,0|2,1,0]=4 639 B11R1.166 Cc1cc(ccc1C(C)C)N A19754 [0,1,0,0,0,0|2,0,1]=4 640 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])Cl H53471 [0,1,0,0,0,0|3,0,0]=4 641 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F A13944 [0,1,0,0,0,0|3,0,0]=4 642 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])N L13112 [0,1,0,0,0,0|3,0,0]=4 643 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O L03163 [0,1,0,0,0,0|3,0,0]=4 644 B11R1.166 Cc1cc(cnc1C(=O)O)Br H64220 [0,1,0,0,0,0|3,0,0]=4 645 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,1,0,0,0,0|1,0,0]=2 646 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [0,1,0,0,0,0|0,0,0]=1 647 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [0,1,0,0,0,0|1,0,0]=2 648 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,1,0,0,0,0|1,0,0]=2 649 B11R1.166 Cc1ccc(c(c1)C)C(C)O H32141 [0,1,0,0,0,0|0,0,2]=3 650 B11R1.166 Cc1ccc(c(c1)C)[N+](=O)[O-] A16776 [0,1,0,0,0,0|2,0,0]=3 651 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [0,1,0,0,0,0|0,0,0]=1 652 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [0,1,0,0,0,0|1,0,0]=2 653 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,1,0,0,0,0|1,0,0]=2 654 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] A10840 [0,1,0,0,0,0|2,0,0]=3 655 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] L07852 [0,1,0,0,0,0|2,0,0]=3 656 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,1,0,0,0,0|1,0,0]=2 657 B11R1.166 Cc1ccc(c(c1)O)C(C)C A14563 [0,1,0,0,0,0|1,0,1]=3 658 B11R1.166 Cc1ccc(c(c1)O)[N+](=O)[O-] A11729 [0,1,0,0,0,0|2,0,0]=3 659 B11R1.166 Cc1ccc(c(n1)Br)[N+](=O)[O-] H64982 [0,1,0,0,0,0|3,0,0]=4 660 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)Cl H25878 [0,1,0,0,0,0|2,0,0]=3 661 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [0,1,0,0,0,0|2,0,0]=3 662 B11R1.166 Cc1ccc(c(n1)F)[N+](=O)[O-] H64103 [0,1,0,0,0,0|3,0,0]=4 663 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] H61729 [0,1,0,0,0,0|3,0,0]=4 664 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,1,0,0,0,0|2,0,0]=3 665 B11R1.166 Cc1ccc(c(n1)O)C(=S)N H52239 [0,1,0,0,0,0|2,1,0]=4 666 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl H61381 [0,1,0,0,0,0|3,0,0]=4 667 B11R1.166 c1c(cnc(c1Cl)C(=O)N)Cl H66981 [0,1,0,0,0,0|3,0,0]=4 668 B11R1.166 c1c(cnc(c1F)C(=O)N)F L20323 [0,1,0,0,0,0|3,0,0]=4 669 B11R1.166 c1c(cnc(c1F)C(=O)O)Br H64466 [0,1,0,0,0,0|3,0,0]=4 670 B11R1.166 c1c(cnc(c1F)C(=O)O)F L20324 [0,1,0,0,0,0|3,0,0]=4 671 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O H32008 [0,1,0,0,0,0|2,0,0]=3 672 B11R1.166 c1cc(c(cc1Br)Br)[N+](=O)[O-] H61738 [0,1,0,0,0,0|3,0,0]=4 673 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O A11527 [0,1,0,0,0,0|2,0,0]=3 674 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl L20142 [0,1,0,0,0,0|2,0,0]=3 675 B11R1.166 c1cc(c(cc1Br)F)C(=O)N H52336 [0,1,0,0,0,0|2,0,0]=3 676 B11R1.166 c1cc(c(cc1Br)F)C(=O)O B20118 [0,1,0,0,0,0|2,0,0]=3 677 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] H61807 [0,1,0,0,0,0|3,0,0]=4 678 B11R1.166 c1cc(c(cc1Br)N)C(=O)O H55829 [0,1,0,0,0,0|2,0,0]=3 679 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] H64966 [0,1,0,0,0,0|3,0,0]=4 680 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O H59777 [0,1,0,0,0,0|2,0,0]=3 681 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)Cl B20815 [0,1,0,0,0,0|2,0,0]=3 682 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)N A15915 [0,1,0,0,0,0|2,0,0]=3 683 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O A12372 [0,1,0,0,0,0|2,0,0]=3 684 B11R1.166 c1cc(c(cc1Cl)Cl)C(=S)N H26654 [0,1,0,0,0,0|2,1,0]=4 685 B11R1.166 c1cc(c(cc1Cl)Cl)[N+](=O)[O-] B23749 [0,1,0,0,0,0|3,0,0]=4 686 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O B25277 [0,1,0,0,0,0|2,0,0]=3 687 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O A10201 [0,1,0,0,0,0|2,0,0]=3 688 B11R1.166 c1cc(c(cc1Cl)N)C(=S)N H52249 [0,1,0,0,0,0|2,1,0]=4 689 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] A11241 [0,1,0,0,0,0|3,0,0]=4 690 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O B22520 [0,1,0,0,0,0|2,0,0]=3 691 B11R1.166 c1cc(c(cc1F)Br)C(=O)N H62497 [0,1,0,0,0,0|2,0,0]=3 692 B11R1.166 c1cc(c(cc1F)Br)C(=O)O L19321 [0,1,0,0,0,0|2,0,0]=3 693 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] H61466 [0,1,0,0,0,0|3,0,0]=4 694 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl B23439 [0,1,0,0,0,0|2,0,0]=3 695 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O A14953 [0,1,0,0,0,0|2,0,0]=3 696 B11R1.166 c1cc(c(cc1F)Cl)C(=S)N H32001 [0,1,0,0,0,0|2,1,0]=4 697 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] H32906 [0,1,0,0,0,0|3,0,0]=4 698 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl A17920 [0,1,0,0,0,0|2,0,0]=3 699 B11R1.166 c1cc(c(cc1F)F)C(=O)N A10375 [0,1,0,0,0,0|2,0,0]=3 700 B11R1.166 c1cc(c(cc1F)F)C(=O)O A13403 [0,1,0,0,0,0|2,0,0]=3 701 B11R1.166 c1cc(c(cc1F)F)C(=S)N H26758 [0,1,0,0,0,0|2,1,0]=4 702 B11R1.166 c1cc(c(cc1F)F)[N+](=O)[O-] A13249 [0,1,0,0,0,0|3,0,0]=4 703 B11R1.166 c1cc(c(cc1F)I)C(=O)O H55531 [0,1,0,0,0,0|2,0,0]=3 704 B11R1.166 c1cc(c(cc1F)N)C(=O)O B21907 [0,1,0,0,0,0|2,0,0]=3 705 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] H61806 [0,1,0,0,0,0|3,0,0]=4 706 B11R1.166 c1cc(c(cc1F)O)C(=O)O B24992 [0,1,0,0,0,0|2,0,0]=3 707 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] A12568 [0,1,0,0,0,0|3,0,0]=4 708 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O A10116 [0,1,0,0,0,0|2,0,0]=3 709 B11R1.166 c1cc(c(cc1N)Cl)C(=S)N H52142 [0,1,0,0,0,0|2,1,0]=4 710 B11R1.166 c1cc(c(cc1N)Cl)[N+](=O)[O-] H32581 [0,1,0,0,0,0|3,0,0]=4 711 B11R1.166 c1cc(c(cc1N)F)C(=O)O H26146 [0,1,0,0,0,0|2,0,0]=3 712 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] H28895 [0,1,0,0,0,0|3,0,0]=4 713 B11R1.166 c1cc(c(cc1N)N)[N+](=O)[O-] L12166 [0,1,0,0,0,0|3,0,0]=4 714 B11R1.166 c1cc(c(cc1N)O)C(=O)O B23289 [0,1,0,0,0,0|2,0,0]=3 715 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] A14350 [0,1,0,0,0,0|3,0,0]=4 716 B11R1.166 c1cc(c(cc1O)O)C(=O)O A13545 [0,1,0,0,0,0|2,0,0]=3 717 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl L20002 [0,1,0,0,0,0|3,0,0]=4 718 B11R1.166 c1cc(nc(c1C(=O)O)F)Cl H66484 [0,1,0,0,0,0|3,0,0]=4 719 B11R2.34 c1cc(ccc1C2CO2)Br H26818 [0,0,0,1,0,0|1,0,2]=4 720 B11R2.34 c1cc(ccc1C2CO2)Cl H26516 [0,0,0,1,0,0|1,0,2]=4 721 B11R2.34 c1cc(ccc1C2CO2)F H26600 [0,0,0,1,0,0|1,0,2]=4 722 B11R2.34 c1cc(ccc1[C@@H]2CO2)F H33603 [0,0,0,1,0,0|1,0,2]=4 723 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [0,0,0,0,1,0|2,0,0]=3 724 B9R1.35 CC(=O)c1ccc(s1)Br A14826 [0,0,0,0,1,0|2,0,0]=3 725 B9R1.35 CC(=O)c1ccc(s1)Cl A11850 [0,0,0,0,1,0|2,0,0]=3 726 B9R1.35 CC(=O)c1ccc(s1)I L17852 [0,0,0,0,1,0|2,0,0]=3 727 B9R1.35 CC1=CC(=CC1)C(C)C L19126 [0,0,0,0,1,0|1,0,2]=4 728 B9R1.35 Cc1cc([nH]n1)C(=O)O H59899 [0,0,0,0,1,0|3,0,0]=4 729 B9R1.35 Cc1cc(no1)C(=O)Cl H50693 [0,0,0,0,1,0|3,0,0]=4 730 B9R1.35 Cc1cc(no1)C(=O)N H63986 [0,0,0,0,1,0|3,0,0]=4 731 B9R1.35 Cc1cc(no1)C(=O)O L17577 [0,0,0,0,1,0|3,0,0]=4 732 B9R1.35 Cc1cc(on1)C(=O)O H63740 [0,0,0,0,1,0|3,0,0]=4 733 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,0,0,0,1,0|1,0,0]=2 734 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [0,0,0,0,1,0|1,0,0]=2 735 B9R1.35 Cc1ccc(o1)C(=O)Cl H27697 [0,0,0,0,1,0|2,0,0]=3 736 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,0,0,0,1,0|1,0,0]=2 737 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [0,0,0,0,1,0|2,0,0]=3 738 B9R1.35 Cc1ccn(n1)C(=O)N A14584 [0,0,0,0,1,0|3,0,0]=4 739 B9R1.35 Cc1cnc(s1)C(=O)O H63076 [0,0,0,0,1,0|3,0,0]=4 740 B9R1.35 Cc1csc(n1)C(=O)O H63065 [0,0,0,0,1,0|3,0,0]=4 741 B9R1.35 Cn1cc(nc1)C(=O)O H51866 [0,0,0,0,1,0|3,0,0]=4 742 B9R1.35 Cn1ccc(n1)C(=O)O H50317 [0,0,0,0,1,0|3,0,0]=4 743 B9R1.35 c1c(coc1C(=O)N)Br H52355 [0,0,0,0,1,0|3,0,0]=4 744 B9R1.35 c1cc(oc1C(=O)O)Br A14840 [0,0,0,0,1,0|3,0,0]=4 745 B9R1.35 c1cc(sc1C(=O)Cl)Cl H61474 [0,0,0,0,1,0|3,0,0]=4 746 B9R1.35 c1cc(sc1C(=O)O)Br A19242 [0,0,0,0,1,0|3,0,0]=4 747 B9R1.35 c1cc(sc1C(=O)O)Cl A15209 [0,0,0,0,1,0|3,0,0]=4 748 B11R1.20 CC(=O)Cc1ccc(cc1)Br A19028 [0,0,0,0,0,1|1,0,0]=2 749 B11R1.20 CC(=O)Cc1ccc(cc1)F L11720 [0,0,0,0,0,1|1,0,0]=2 750 B11R1.20 CC(=O)Cc1ccc(cc1)O A18936 [0,0,0,0,0,1|1,0,0]=2 751 B11R1.20 CC(=O)Nc1ccc(cc1)Br L02924 [0,0,0,0,0,1|1,0,0]=2 752 B11R1.20 CC(=O)Nc1ccc(cc1)Cl A11214 [0,0,0,0,0,1|1,0,0]=2 753 B11R1.20 CC(=O)Nc1ccc(cc1)F A18974 [0,0,0,0,0,1|1,0,0]=2 754 B11R1.20 CC(=O)Nc1ccc(cc1)N A13937 [0,0,0,0,0,1|1,0,0]=2 755 B11R1.20 CC(=O)Nc1ccc(cc1)N B20740 [0,0,0,0,0,1|1,0,0]=2 756 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [0,0,0,0,0,1|1,0,0]=2 757 B11R1.20 CC(=O)Nc1ccc(cc1)S B23932 [0,0,0,0,0,1|1,0,0]=2 758 B11R1.20 CC(=O)Nc1ccc(cn1)Br H27456 [0,0,0,0,0,1|2,0,0]=3 759 B11R1.20 CC(=O)Nc1ccc(cn1)N L20004 [0,0,0,0,0,1|2,0,0]=3 760 B11R1.20 CC(=O)Oc1ccc(cc1)F B21356 [0,0,0,0,0,1|1,0,0]=2 761 B11R1.20 CC(C)Cc1ccc(cc1)[Mg+] H54201 [0,0,0,0,0,1|2,0,1]=4 762 B11R1.20 CC(Cc1ccc(cc1)F)N H51016 [0,0,0,0,0,1|2,0,1]=4 763 B11R1.20 Cc1ccc(cc1)CC(=O)C B24728 [0,0,0,0,0,1|0,0,0]=1 764 B11R1.20 Cc1ccc(cc1)CC(=O)Cl H37997 [0,0,0,0,0,1|1,0,0]=2 765 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,0,0,0,0,1|1,0,0]=2 766 B11R1.20 Cc1ccc(cc1)CC(=S)N H26278 [0,0,0,0,0,1|1,1,0]=3 767 B11R1.20 Cc1ccc(cc1)NC(=O)C A13721 [0,0,0,0,0,1|0,0,0]=1 768 B11R1.20 Cc1ccc(cc1)NC(=O)N A11150 [0,0,0,0,0,1|1,0,0]=2 769 B11R1.20 Cc1ccc(cc1)NC(=S)N A11098 [0,0,0,0,0,1|1,1,0]=3 770 B11R1.20 Cc1ccc(cc1)OC(=S)Cl B23501 [0,0,0,0,0,1|1,1,0]=3 771 B11R1.20 Cc1ccc(nc1)NC(=S)N H34378 [0,0,0,0,0,1|2,1,0]=4 772 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl A12530 [0,0,0,0,0,1|2,0,0]=3 773 B11R1.20 c1cc(ccc1CC(=O)Cl)F L19235 [0,0,0,0,0,1|2,0,0]=3 774 B11R1.20 c1cc(ccc1CC(=O)N)O A15266 [0,0,0,0,0,1|2,0,0]=3 775 B11R1.20 c1cc(ccc1CC(=O)O)Br A15325 [0,0,0,0,0,1|2,0,0]=3 776 B11R1.20 c1cc(ccc1CC(=O)O)Cl A14974 [0,0,0,0,0,1|2,0,0]=3 777 B11R1.20 c1cc(ccc1CC(=O)O)F A10646 [0,0,0,0,0,1|2,0,0]=3 778 B11R1.20 c1cc(ccc1CC(=O)O)I L13345 [0,0,0,0,0,1|2,0,0]=3 779 B11R1.20 c1cc(ccc1CC(=O)O)N A14675 [0,0,0,0,0,1|2,0,0]=3 780 B11R1.20 c1cc(ccc1CC(=O)O)O A15018 [0,0,0,0,0,1|2,0,0]=3 781 B11R1.20 c1cc(ccc1CC(=O)O)S H27658 [0,0,0,0,0,1|2,0,0]=3 782 B11R1.20 c1cc(ccc1CC(=S)N)Cl H26864 [0,0,0,0,0,1|2,1,0]=4 783 B11R1.20 c1cc(ccc1NC(=O)N)Br L11074 [0,0,0,0,0,1|2,0,0]=3 784 B11R1.20 c1cc(ccc1NC(=O)N)Cl B25090 [0,0,0,0,0,1|2,0,0]=3 785 B11R1.20 c1cc(ccc1NC(=O)N)F L01314 [0,0,0,0,0,1|2,0,0]=3 786 B11R1.20 c1cc(ccc1NC(=S)N)Br L11163 [0,0,0,0,0,1|2,1,0]=4 787 B11R1.20 c1cc(ccc1NC(=S)N)Cl A12651 [0,0,0,0,0,1|2,1,0]=4 788 B11R1.20 c1cc(ccc1NC(=S)N)F L11159 [0,0,0,0,0,1|2,1,0]=4 789 B11R1.20 c1cc(ccc1NC(=S)N)O L12537 [0,0,0,0,0,1|2,1,0]=4 790 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl 31175 [0,0,0,0,0,1|2,0,0]=3 791 B11R1.20 c1cc(ncc1Br)CC(=O)O H33181 [0,0,0,0,0,1|3,0,0]=4 792 B11R1.20 c1cc(ncc1CC(=O)O)Cl H27966 [0,0,0,0,0,1|3,0,0]=4 793 B8R0.28 CC(=C\C=C\C(=O)C)C L09169 [1,0,1,0,0,0|0,0,1]=3 794 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 795 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,1]=3 796 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,1]=3 797 B8R1.2 C=Cc1ccccn1 A14056 [2,0,0,0,0,0|1,0,1]=4 798 B8R1.2 C=Cc1ccncc1 H36621 [2,0,0,0,0,0|1,0,1]=4 799 B8R1.2 C=Cc1ccncc1 L13316 [2,0,0,0,0,0|1,0,1]=4 800 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,1]=4 801 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,1]=3 802 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,1]=4 803 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,1]=4 804 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,1]=4 805 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|1,0,0]=3 806 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|2,0,0]=4 807 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|2,0,0]=4 808 B8R1.2 CNc1ccncc1 L19626 [2,0,0,0,0,0|2,0,0]=4 809 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|1,0,0]=3 810 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|2,0,0]=4 811 B8R1.2 COc1ccncc1 L19625 [2,0,0,0,0,0|2,0,0]=4 812 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|1,0,0]=3 813 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|1,0,0]=3 814 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 815 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 816 B8R1.2 c1c(cncn1)C=O H54448 [2,0,0,0,0,0|2,0,0]=4 817 B8R1.2 c1cc(cnc1)C=O A14607 [2,0,0,0,0,0|1,0,0]=3 818 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|1,0,1]=4 819 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|1,0,1]=4 820 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|1,0,1]=4 821 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|0,0,0]=2 822 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|0,0,0]=2 823 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|0,0,0]=2 824 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,1]=4 825 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,1]=4 826 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|1,0,1]=4 827 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|1,0,1]=4 828 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|1,0,1]=4 829 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|0,0,2]=4 830 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|0,0,2]=4 831 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|0,0,2]=4 832 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|0,1,1]=4 833 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|0,1,1]=4 834 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,1]=4 835 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,1]=4 836 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,1]=4 837 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|1,0,0]=3 838 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|2,0,0]=4 839 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|2,0,0]=4 840 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|1,0,0]=3 841 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 842 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 843 B8R1.2 c1ccnc(c1)C=O A11391 [2,0,0,0,0,0|1,0,0]=3 844 B8R1.2 c1cnccc1C=O A10656 [2,0,0,0,0,0|1,0,0]=3 845 B8R1.3 C1=CC(=O)C=CC1=O A13162 [2,0,0,0,0,0|1,0,0]=3 846 B8R1.3 Cc1cc[n+](cc1)[O-] A17330 [2,0,0,0,0,0|1,0,1]=4 847 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [2,0,0,0,0,0|2,0,0]=4 848 B8R1.3 Cc1ccc(cc1)Br A15843 [2,0,0,0,0,0|1,0,0]=3 849 B8R1.3 Cc1ccc(cc1)C A10534 [2,0,0,0,0,0|0,0,0]=2 850 B8R1.3 Cc1ccc(cc1)Cl L04672 [2,0,0,0,0,0|1,0,0]=3 851 B8R1.3 Cc1ccc(cc1)F A10365 [2,0,0,0,0,0|1,0,0]=3 852 B8R1.3 Cc1ccc(cc1)I A15631 [2,0,0,0,0,0|1,0,0]=3 853 B8R1.3 Cc1ccc(cc1)N A13698 [2,0,0,0,0,0|1,0,0]=3 854 B8R1.3 Cc1ccc(cc1)O A13531 [2,0,0,0,0,0|0,0,1]=3 855 B8R1.3 Cc1ccc(cc1)S B24970 [2,0,0,0,0,0|0,1,0]=3 856 B8R1.3 Cc1ccc(cc1)[S-] H55095 [2,0,0,0,0,0|0,1,0]=3 857 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [2,0,0,0,0,0|1,0,0]=3 858 B8R1.3 Cc1ccc(cn1)Br H27085 [2,0,0,0,0,0|2,0,0]=4 859 B8R1.3 Cc1ccc(cn1)N H27431 [2,0,0,0,0,0|2,0,0]=4 860 B8R1.3 Cc1ccc(cn1)O B25014 [2,0,0,0,0,0|1,0,1]=4 861 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [2,0,0,0,0,0|2,0,0]=4 862 B8R1.3 Cc1ccc(nc1)Br B25083 [2,0,0,0,0,0|2,0,0]=4 863 B8R1.3 Cc1ccc(nc1)Cl H59145 [2,0,0,0,0,0|2,0,0]=4 864 B8R1.3 Cc1ccc(nc1)F L12241 [2,0,0,0,0,0|2,0,0]=4 865 B8R1.3 Cc1ccc(nc1)N A13330 [2,0,0,0,0,0|2,0,0]=4 866 B8R1.3 Cc1ccc(nc1)O L19528 [2,0,0,0,0,0|1,0,1]=4 867 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [2,0,0,0,0,0|2,0,0]=4 868 B8R1.3 Cc1cnc(cn1)C A12352 [2,0,0,0,0,0|2,0,0]=4 869 B8R1.3 c1cc(ccc1Br)Br A10517 [2,0,0,0,0,0|2,0,0]=4 870 B8R1.3 c1cc(ccc1Br)I A13859 [2,0,0,0,0,0|2,0,0]=4 871 B8R1.3 c1cc(ccc1Cl)Br A12160 [2,0,0,0,0,0|2,0,0]=4 872 B8R1.3 c1cc(ccc1Cl)Cl A16290 [2,0,0,0,0,0|2,0,0]=4 873 B8R1.3 c1cc(ccc1Cl)I A13459 [2,0,0,0,0,0|2,0,0]=4 874 B8R1.3 c1cc(ccc1Cl)[Zn+] H58740 [2,0,0,0,0,0|2,0,0]=4 875 B8R1.3 c1cc(ccc1F)Br A11630 [2,0,0,0,0,0|2,0,0]=4 876 B8R1.3 c1cc(ccc1F)Cl A13690 [2,0,0,0,0,0|2,0,0]=4 877 B8R1.3 c1cc(ccc1F)F A16217 [2,0,0,0,0,0|2,0,0]=4 878 B8R1.3 c1cc(ccc1F)I A12008 [2,0,0,0,0,0|2,0,0]=4 879 B8R1.3 c1cc(ccc1F)S A17600 [2,0,0,0,0,0|1,1,0]=4 880 B8R1.3 c1cc(ccc1F)[Mg+] H51169 [2,0,0,0,0,0|2,0,0]=4 881 B8R1.3 c1cc(ccc1F)[Zn+] H58780 [2,0,0,0,0,0|2,0,0]=4 882 B8R1.3 c1cc(ccc1I)I A15335 [2,0,0,0,0,0|2,0,0]=4 883 B8R1.3 c1cc(ccc1N)Br A15126 [2,0,0,0,0,0|2,0,0]=4 884 B8R1.3 c1cc(ccc1N)Cl A12879 [2,0,0,0,0,0|2,0,0]=4 885 B8R1.3 c1cc(ccc1N)Cl L13744 [2,0,0,0,0,0|2,0,0]=4 886 B8R1.3 c1cc(ccc1N)F A15597 [2,0,0,0,0,0|2,0,0]=4 887 B8R1.3 c1cc(ccc1N)I B21936 [2,0,0,0,0,0|2,0,0]=4 888 B8R1.3 c1cc(ccc1N)N A10638 [2,0,0,0,0,0|2,0,0]=4 889 B8R1.3 c1cc(ccc1N)N A12659 [2,0,0,0,0,0|2,0,0]=4 890 B8R1.3 c1cc(ccc1N)N A15680 [2,0,0,0,0,0|2,0,0]=4 891 B8R1.3 c1cc(ccc1N)O A13581 [2,0,0,0,0,0|1,0,1]=4 892 B8R1.3 c1cc(ccc1N)S A14082 [2,0,0,0,0,0|1,1,0]=4 893 B8R1.3 c1cc(ccc1O)Br A14873 [2,0,0,0,0,0|1,0,1]=4 894 B8R1.3 c1cc(ccc1O)Cl A15602 [2,0,0,0,0,0|1,0,1]=4 895 B8R1.3 c1cc(ccc1O)F A11945 [2,0,0,0,0,0|1,0,1]=4 896 B8R1.3 c1cc(ccc1O)I A13455 [2,0,0,0,0,0|1,0,1]=4 897 B8R1.3 c1cc(ccc1O)O A11411 [2,0,0,0,0,0|1,0,1]=4 898 B8R1.3 c1cc(ccc1O)O A16681 [2,0,0,0,0,0|1,0,1]=4 899 B8R1.3 c1cc(ccc1O)S L04429 [2,0,0,0,0,0|1,0,1]=4 900 B8R1.3 c1cc(ccc1S)Br A10555 [2,0,0,0,0,0|1,1,0]=4 901 B8R1.3 c1cc(ccc1S)Cl B23838 [2,0,0,0,0,0|1,1,0]=4 902 B8R1.3 c1cc(ccc1S)S L19440 [2,0,0,0,0,0|1,1,0]=4 903 B8R1.3 c1cc(ccc1[Mg+])Cl H51163 [2,0,0,0,0,0|2,0,0]=4 904 B8R1.3 c1cc(ccc1[Zn+])Br H58429 [2,0,0,0,0,0|2,0,0]=4 905 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,1,0,0,0,0|1,0,1]=4 906 B10R1.1 CCCc1ccc(cc1)I L05767 [1,1,0,0,0,0|1,0,1]=4 907 B10R1.1 CCCc1ccc(cc1)N L03880 [1,1,0,0,0,0|1,0,1]=4 908 B10R1.1 CCCc1ccc(cc1)O A15342 [1,1,0,0,0,0|1,0,1]=4 909 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,1,0,0,0,0|1,0,1]=4 910 B10R1.1 CCOc1ccc(cc1)Br B21398 [1,1,0,0,0,0|1,0,1]=4 911 B10R1.1 CCOc1ccc(cc1)I B21644 [1,1,0,0,0,0|1,0,1]=4 912 B10R1.1 CCOc1ccc(cc1)N A10416 [1,1,0,0,0,0|1,0,1]=4 913 B10R1.1 CCOc1ccc(cc1)O B20584 [1,1,0,0,0,0|1,0,1]=4 914 B10R1.1 CCSc1ccc(cc1)Br L13718 [1,1,0,0,0,0|1,0,1]=4 915 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,1,0,0,0,0|1,0,1]=4 916 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,1,0,0,0,0|1,0,1]=4 917 B10R1.1 CNCc1ccc(cc1)F H54369 [1,1,0,0,0,0|1,0,1]=4 918 B10R1.1 Cc1ccc(cc1)CC#N A12169 [1,1,0,0,0,0|0,0,2]=4 919 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|0,0,1]=3 920 B10R1.1 Cc1ccc(cc1)N=C=O A13577 [1,1,0,0,0,0|0,0,1]=3 921 B10R1.1 Cc1ccc(cc1)N=C=S A11499 [1,1,0,0,0,0|0,1,1]=4 922 B10R1.1 c1cc(ccc1CCCl)F L16719 [1,1,0,0,0,0|1,0,1]=4 923 B10R1.1 c1cc(ccc1CCN)Br H63706 [1,1,0,0,0,0|1,0,1]=4 924 B10R1.1 c1cc(ccc1CCN)Cl H63081 [1,1,0,0,0,0|1,0,1]=4 925 B10R1.1 c1cc(ccc1CCN)F H61791 [1,1,0,0,0,0|1,0,1]=4 926 B10R1.1 c1cc(ccc1CCN)N L15782 [1,1,0,0,0,0|1,0,1]=4 927 B10R1.1 c1cc(ccc1CCN)O A12220 [1,1,0,0,0,0|1,0,1]=4 928 B10R1.1 c1cc(ccc1CCO)Br A14143 [1,1,0,0,0,0|1,0,1]=4 929 B10R1.1 c1cc(ccc1CCO)F L05618 [1,1,0,0,0,0|1,0,1]=4 930 B10R1.1 c1cc(ccc1CCO)N L15223 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.1 c1cc(ccc1CCO)O A14891 [1,1,0,0,0,0|1,0,1]=4 932 B10R1.1 c1cc(ccc1N=C=O)Br L10834 [1,1,0,0,0,0|1,0,1]=4 933 B10R1.1 c1cc(ccc1N=C=O)Cl A14966 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.1 c1cc(ccc1N=C=O)F A12576 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.1 c1cc(ccc1N=C=O)I L16000 [1,1,0,0,0,0|1,0,1]=4 936 B10R1.3 C=Cc1ccc(cc1)C#N B24395 [1,1,0,0,0,0|0,0,2]=4 937 B10R1.3 CCc1ccc(cc1)C#C H26313 [1,1,0,0,0,0|0,0,2]=4 938 B10R1.3 CCc1ccc(cc1)C#N L07921 [1,1,0,0,0,0|0,0,2]=4 939 B10R1.3 CCc1ccc(cc1)C=O B20645 [1,1,0,0,0,0|0,0,0]=2 940 B10R1.3 CCc1ccc(cc1)CC A13343 [1,1,0,0,0,0|0,0,1]=3 941 B10R1.3 CCc1ccc(cc1)CCl H27900 [1,1,0,0,0,0|0,0,1]=3 942 B10R1.3 CCc1ccc(cc1)CO H30459 [1,1,0,0,0,0|0,0,1]=3 943 B10R1.3 CCc1ccc(cc1)OC A10391 [1,1,0,0,0,0|0,0,1]=3 944 B10R1.3 CNc1ccc(cc1)C#N H65148 [1,1,0,0,0,0|1,0,1]=4 945 B10R1.3 CNc1ccc(cc1)OC H65272 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.3 COc1ccc(cc1)C#C H26283 [1,1,0,0,0,0|0,0,2]=4 947 B10R1.3 COc1ccc(cc1)C#N A15945 [1,1,0,0,0,0|1,0,1]=4 948 B10R1.3 COc1ccc(cc1)C=C B22353 [1,1,0,0,0,0|0,0,1]=3 949 B10R1.3 COc1ccc(cc1)C=O A15364 [1,1,0,0,0,0|0,0,0]=2 950 B10R1.3 COc1ccc(cc1)CN A14999 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.3 COc1ccc(cc1)CO A15559 [1,1,0,0,0,0|1,0,0]=3 952 B10R1.3 COc1ccc(cc1)CS B22542 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.3 COc1ccc(cc1)C[Mg+] H54078 [1,1,0,0,0,0|1,0,0]=3 954 B10R1.3 COc1ccc(cc1)NN L06076 [1,1,0,0,0,0|2,0,0]=4 955 B10R1.3 COc1ccc(cc1)OC A12822 [1,1,0,0,0,0|1,0,0]=3 956 B10R1.3 COc1ccc(cc1)[N+]#N H55827 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.3 COc1ccc(cn1)C=O H26515 [1,1,0,0,0,0|1,0,0]=3 958 B10R1.3 CSc1ccc(cc1)C#N L08979 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.3 CSc1ccc(cc1)C=O B25427 [1,1,0,0,0,0|0,0,0]=2 960 B10R1.3 CSc1ccc(cc1)CCl L19877 [1,1,0,0,0,0|1,0,0]=3 961 B10R1.3 CSc1ccc(cc1)CO B22455 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.3 c1cc(ccc1C=O)C#N A14914 [1,1,0,0,0,0|0,0,1]=3 963 B10R1.3 c1cc(ccc1C=O)C=O A14930 [1,1,0,0,0,0|0,0,1]=3 964 B10R1.3 c1cc(ccc1CBr)C#N B20641 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.3 c1cc(ccc1CBr)CBr A13939 [1,1,0,0,0,0|1,0,1]=4 966 B10R1.3 c1cc(ccc1CCl)C#N B22138 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.3 c1cc(ccc1CCl)CCl A13976 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.3 c1cc(ccc1CN)C#N H27473 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.3 c1cc(ccc1CN)CN L02995 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.3 c1cc(ccc1CO)C#N H54283 [1,1,0,0,0,0|1,0,1]=4 971 B10R1.3 c1cc(ccc1CO)CO A14405 [1,1,0,0,0,0|0,0,2]=4 972 B10R1.25 CCc1ccc(cc1O)O B21575 [1,1,0,0,0,0|1,0,1]=4 973 B10R1.25 CCc1ccc(nc1N)C A19048 [1,1,0,0,0,0|1,0,1]=4 974 B10R1.25 CNc1ccc(cc1F)F A15778 [1,1,0,0,0,0|2,0,0]=4 975 B10R1.25 COc1ccc(cc1Br)Br A16200 [1,1,0,0,0,0|2,0,0]=4 976 B10R1.25 COc1ccc(cc1Br)F A11040 [1,1,0,0,0,0|2,0,0]=4 977 B10R1.25 COc1ccc(cc1Cl)Cl B20042 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.25 COc1ccc(cc1Cl)F B25136 [1,1,0,0,0,0|2,0,0]=4 979 B10R1.25 COc1ccc(cc1F)Br A10948 [1,1,0,0,0,0|2,0,0]=4 980 B10R1.25 COc1ccc(cc1F)F B21509 [1,1,0,0,0,0|2,0,0]=4 981 B10R1.25 COc1ccc(cc1F)N A18606 [1,1,0,0,0,0|2,0,0]=4 982 B10R1.25 COc1ccc(cc1F)[Mg+] H54027 [1,1,0,0,0,0|2,0,0]=4 983 B10R1.25 COc1ccc(cc1I)Cl A13840 [1,1,0,0,0,0|2,0,0]=4 984 B10R1.25 COc1ccc(cc1N)Br B25693 [1,1,0,0,0,0|2,0,0]=4 985 B10R1.25 COc1ccc(cc1N)Cl A12887 [1,1,0,0,0,0|2,0,0]=4 986 B10R1.25 COc1ccc(cc1N)Cl A14244 [1,1,0,0,0,0|2,0,0]=4 987 B10R1.25 COc1ccc(cc1N)F H32525 [1,1,0,0,0,0|2,0,0]=4 988 B10R1.25 COc1ccc(cc1N)I B25557 [1,1,0,0,0,0|2,0,0]=4 989 B10R1.25 COc1ccc(cc1O)N L10234 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.25 COc1ccc(cc1[Mg+])Cl H54501 [1,1,0,0,0,0|2,0,0]=4 991 B10R1.25 COc1ccc(cc1[Mg+])F H54083 [1,1,0,0,0,0|2,0,0]=4 992 B10R1.25 COc1ccc(cc1[Zn+])Cl H58435 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.25 Cc1cc(ccc1C=O)Br H61314 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.25 Cc1cc(ccc1C=O)F H26266 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.25 Cc1cc(ccc1OC)Br B21621 [1,1,0,0,0,0|2,0,0]=4 996 B10R1.25 Cc1cc(ccc1OC)Cl B24261 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.25 Cc1cc(ccc1OC)F A16031 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.25 Cc1cc(ccc1SC)O L07353 [1,1,0,0,0,0|2,0,0]=4 999 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [1,1,0,0,0,0|0,0,0]=2 1000 B10R1.25 Cc1ccc(c(c1)C)C=C A14286 [1,1,0,0,0,0|0,0,1]=3 1001 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [1,1,0,0,0,0|0,0,0]=2 1002 B10R1.25 Cc1ccc(c(c1)C)CCl L02810 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.25 Cc1ccc(c(c1)C)CO L02899 [1,1,0,0,0,0|0,0,2]=4 1004 B10R1.25 Cc1ccc(c(c1)C)NN B21009 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.25 Cc1ccc(c(c1)F)C#N H26415 [1,1,0,0,0,0|1,0,1]=4 1006 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [1,1,0,0,0,0|0,0,0]=2 1007 B10R1.25 Cc1ccc(c(c1)F)CBr H26440 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.25 Cc1ccc(c(c1)F)CN H26267 [1,1,0,0,0,0|1,0,1]=4 1009 B10R1.25 Cc1ccc(c(c1)F)OC H26194 [1,1,0,0,0,0|1,0,0]=3 1010 B10R1.25 Cc1ccc(c(c1)N)C#N 43260 [1,1,0,0,0,0|1,0,1]=4 1011 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [1,1,0,0,0,0|0,0,0]=2 1012 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [1,1,0,0,0,0|1,0,0]=3 1013 B10R1.25 c1cc(c(cc1Br)Cl)C=O H27418 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.25 c1cc(c(cc1Br)F)C=O A16112 [1,1,0,0,0,0|1,0,0]=3 1015 B10R1.25 c1cc(c(cc1Br)O)C=O H54850 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.25 c1cc(c(cc1Cl)Cl)C=O A12525 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.25 c1cc(c(cc1Cl)F)C=O A16110 [1,1,0,0,0,0|1,0,0]=3 1018 B10R1.25 c1cc(c(cc1F)Cl)C=O A15345 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.25 c1cc(c(cc1F)F)C=O A17052 [1,1,0,0,0,0|1,0,0]=3 1020 B10R1.25 c1cc(c(cc1F)O)C=O H26149 [1,1,0,0,0,0|1,0,0]=3 1021 B10R1.25 c1cc(c(cc1O)Cl)C=O H55771 [1,1,0,0,0,0|1,0,0]=3 1022 B10R1.25 c1cc(c(cc1O)F)C=O H26218 [1,1,0,0,0,0|1,0,0]=3 1023 B10R1.25 c1cc(c(cc1O)O)C=O A12868 [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.25 c1cc(nc(c1C=O)F)F H64422 [1,1,0,0,0,0|2,0,0]=4 1025 B10R1.176 CCc1ccc(c(c1)O)O A12048 [1,1,0,0,0,0|1,0,1]=4 1026 B10R1.176 CNc1ccc(c(c1)Cl)Cl L10631 [1,1,0,0,0,0|2,0,0]=4 1027 B10R1.176 COc1ccc(c(c1)Br)Cl A18660 [1,1,0,0,0,0|2,0,0]=4 1028 B10R1.176 COc1ccc(c(c1)Cl)Cl A17242 [1,1,0,0,0,0|2,0,0]=4 1029 B10R1.176 COc1ccc(c(c1)Cl)F B22425 [1,1,0,0,0,0|2,0,0]=4 1030 B10R1.176 COc1ccc(c(c1)Cl)O A16652 [1,1,0,0,0,0|2,0,0]=4 1031 B10R1.176 COc1ccc(c(c1)F)Br H27319 [1,1,0,0,0,0|2,0,0]=4 1032 B10R1.176 COc1ccc(c(c1)F)F A12474 [1,1,0,0,0,0|2,0,0]=4 1033 B10R1.176 COc1ccc(c(c1)F)N H32885 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.176 COc1ccc(c(c1)N)Cl L13490 [1,1,0,0,0,0|2,0,0]=4 1035 B10R1.176 COc1ccc(c(c1)N)Cl L20162 [1,1,0,0,0,0|2,0,0]=4 1036 B10R1.176 COc1ccc(c(c1)N)N A12363 [1,1,0,0,0,0|2,0,0]=4 1037 B10R1.176 COc1ccc(c(c1)N)N A15557 [1,1,0,0,0,0|2,0,0]=4 1038 B10R1.176 COc1ccc(c(c1)N)O H33724 [1,1,0,0,0,0|2,0,0]=4 1039 B10R1.176 Cc1cc(ccc1Br)OC A12318 [1,1,0,0,0,0|2,0,0]=4 1040 B10R1.176 Cc1cc(ccc1Cl)OC B23825 [1,1,0,0,0,0|2,0,0]=4 1041 B10R1.176 Cc1cc(ccc1F)C=O B23526 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.176 Cc1cc(ccc1F)OC A18694 [1,1,0,0,0,0|2,0,0]=4 1043 B10R1.176 Cc1cc(ccc1N)OC L14910 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.176 Cc1cc(ccc1[Mg+])OC H54554 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.176 Cc1ccc(cc1Br)C#N H27806 [1,1,0,0,0,0|1,0,1]=4 1046 B10R1.176 Cc1ccc(cc1C)C#N A14379 [1,1,0,0,0,0|1,0,1]=4 1047 B10R1.176 Cc1ccc(cc1C)C=O A15388 [1,1,0,0,0,0|0,0,0]=2 1048 B10R1.176 Cc1ccc(cc1C)CN H50280 [1,1,0,0,0,0|1,0,1]=4 1049 B10R1.176 Cc1ccc(cc1C)CO B24926 [1,1,0,0,0,0|0,0,2]=4 1050 B10R1.176 Cc1ccc(cc1C)NN A13027 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.176 Cc1ccc(cc1C)OC B22735 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.176 Cc1ccc(cc1Cl)C#N H55833 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.176 Cc1ccc(cc1Cl)CO 43819 [1,1,0,0,0,0|0,0,2]=4 1054 B10R1.176 Cc1ccc(cc1Cl)NN B22053 [1,1,0,0,0,0|2,0,0]=4 1055 B10R1.176 Cc1ccc(cc1Cl)OC H27401 [1,1,0,0,0,0|1,0,0]=3 1056 B10R1.176 Cc1ccc(cc1F)C#N B20764 [1,1,0,0,0,0|1,0,1]=4 1057 B10R1.176 Cc1ccc(cc1F)C=O B23736 [1,1,0,0,0,0|0,0,0]=2 1058 B10R1.176 Cc1ccc(cc1F)CBr H26349 [1,1,0,0,0,0|1,0,1]=4 1059 B10R1.176 Cc1ccc(cc1F)CN L19171 [1,1,0,0,0,0|1,0,1]=4 1060 B10R1.176 Cc1ccc(cc1F)CO L19170 [1,1,0,0,0,0|0,0,2]=4 1061 B10R1.176 Cc1ccc(cc1F)OC H32472 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.176 Cc1ccc(cc1N)OC H60177 [1,1,0,0,0,0|1,0,0]=3 1063 B10R1.176 c1cc(c(cc1C=O)Br)Br L13762 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.176 c1cc(c(cc1C=O)Br)F A15198 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.176 c1cc(c(cc1C=O)Br)O B24729 [1,1,0,0,0,0|1,0,0]=3 1066 B10R1.176 c1cc(c(cc1C=O)Cl)Cl B24706 [1,1,0,0,0,0|1,0,0]=3 1067 B10R1.176 c1cc(c(cc1C=O)Cl)F A19923 [1,1,0,0,0,0|1,0,0]=3 1068 B10R1.176 c1cc(c(cc1C=O)Cl)O A17515 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.176 c1cc(c(cc1C=O)F)Br H57833 [1,1,0,0,0,0|1,0,0]=3 1070 B10R1.176 c1cc(c(cc1C=O)F)Cl 41365 [1,1,0,0,0,0|1,0,0]=3 1071 B10R1.176 c1cc(c(cc1C=O)F)F A14028 [1,1,0,0,0,0|1,0,0]=3 1072 B10R1.176 c1cc(c(cc1C=O)F)O L19325 [1,1,0,0,0,0|1,0,0]=3 1073 B10R1.176 c1cc(c(cc1C=O)I)F H33615 [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.176 c1cc(c(cc1C=O)O)O A11558 [1,1,0,0,0,0|1,0,0]=3 1075 B10R1.15 CC(C#N)c1ccccc1 A13636 [1,1,0,0,0,0|1,0,1]=4 1076 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|0,0,1]=3 1077 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,1,0,0,0,0|1,0,1]=4 1078 B10R1.15 CC(CN)c1ccccc1 H36338 [1,1,0,0,0,0|1,0,1]=4 1079 B10R1.15 CC(CO)c1ccccc1 B23473 [1,1,0,0,0,0|0,0,2]=4 1080 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,1,0,0,0,0|0,0,0]=2 1081 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.15 CCC(=O)c1ccncc1 L11552 [1,1,0,0,0,0|1,0,0]=3 1083 B10R1.15 CCC(C)c1ccccc1 B22962 [1,1,0,0,0,0|1,0,1]=4 1084 B10R1.15 CCC(c1ccccc1)O A10830 [1,1,0,0,0,0|0,0,2]=4 1085 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,1,0,0,0,0|1,0,1]=4 1086 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,1,0,0,0,0|0,0,2]=4 1087 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,1,0,0,0,0|0,0,2]=4 1089 B10R1.15 CN(C=O)c1ccccc1 A11829 [1,1,0,0,0,0|1,0,0]=3 1090 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,1,0,0,0,0|0,0,0]=2 1091 B10R1.15 COC(=O)c1ccccc1 44368 [1,1,0,0,0,0|0,0,0]=2 1092 B10R1.15 COC(=O)c1ccccc1 A12404 [1,1,0,0,0,0|0,0,0]=2 1093 B10R1.15 COC(=O)c1ccccn1 H54530 [1,1,0,0,0,0|1,0,0]=3 1094 B10R1.15 COC(=O)c1cccnc1 B23908 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.15 COC(=O)c1ccncc1 B23263 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.15 COC(=O)c1ccnnc1 H27449 [1,1,0,0,0,0|2,0,0]=4 1097 B10R1.15 COC(=O)c1cnccn1 A12028 [1,1,0,0,0,0|2,0,0]=4 1098 B10R1.15 CSC(=N)c1ccccn1 H51786 [1,1,0,0,0,0|2,0,0]=4 1099 B10R1.15 CSC(=N)c1cccnc1 H51776 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.15 CSC(=N)c1ccncc1 H51774 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,1,0,0,0,0|0,0,2]=4 1102 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,1,0,0,0,0|0,0,2]=4 1103 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [1,1,0,0,0,0|0,0,1]=3 1104 B10R1.15 C\C(=N/O)\c1ccccn1 H52232 [1,1,0,0,0,0|1,0,1]=4 1105 B10R1.15 C\C(=N/O)\c1cccnc1 H52154 [1,1,0,0,0,0|1,0,1]=4 1106 B10R1.15 C\C(=N/O)\c1ccncc1 H52207 [1,1,0,0,0,0|1,0,1]=4 1107 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [1,1,0,0,0,0|2,0,0]=4 1108 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [1,1,0,0,0,0|2,0,0]=4 1109 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [1,1,0,0,0,0|0,0,1]=3 1110 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,1,0,0,0,0|0,0,0]=2 1111 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,1,0,0,0,0|0,0,0]=2 1112 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,1,0,0,0,0|0,0,0]=2 1113 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|0,0,0]=2 1114 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,1,0,0,0,0|1,0,0]=3 1115 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [1,1,0,0,0,0|1,0,0]=3 1116 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [1,1,0,0,0,0|1,0,1]=4 1117 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,1,0,0,0,0|0,0,2]=4 1118 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,1,0,0,0,0|0,0,2]=4 1119 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,1,0,0,0,0|0,0,2]=4 1120 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,1,0,0,0,0|0,0,2]=4 1122 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,1,0,0,0,0|1,0,1]=4 1123 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,1,0,0,0,0|0,0,2]=4 1124 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,1,0,0,0,0|0,0,2]=4 1125 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,1,0,0,0,0|1,0,1]=4 1126 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,1,0,0,0,0|0,0,2]=4 1127 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.15 c1cnccc1C(=O)CBr H32285 [1,1,0,0,0,0|1,0,0]=3 1129 B10R1.15 c1cnccc1C(=O)NN A10583 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.28 CC(C)(C)c1ccccc1 A12378 [1,1,0,0,0,0|1,0,1]=4 1131 B10R1.28 CC(C)(C)c1ccccc1 L19048 [1,1,0,0,0,0|1,0,1]=4 1132 B10R1.28 CC(C)(c1ccccc1)N H26845 [1,1,0,0,0,0|1,0,1]=4 1133 B10R1.28 CC(C)(c1ccccc1)O A15580 [1,1,0,0,0,0|0,0,2]=4 1134 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.28 CP(=O)(c1ccccc1)O A19774 [1,1,0,0,0,0|1,0,0]=3 1136 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.28 C[N+](C)(C)c1ccccc1 A14402 [1,1,0,0,0,0|2,0,0]=4 1138 B10R1.28 C[N+](C)(C)c1ccccc1 A15326 [1,1,0,0,0,0|2,0,0]=4 1139 B10R1.28 C[N+](C)(C)c1ccccc1 B22851 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [1,1,0,0,0,0|1,0,0]=3 1141 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [1,1,0,0,0,0|1,0,0]=3 1142 B10R1.28 C[Si](C)(C)c1ccccc1 L02876 [1,1,0,0,0,0|1,1,0]=4 1143 B10R1.28 C[Si](C)(c1ccccc1)Cl A15638 [1,1,0,0,0,0|1,1,0]=4 1144 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [1,1,0,0,0,0|0,1,1]=4 1145 B10R1.28 C[Si](C)(c1ccccc1)[O-] H28457 [1,1,0,0,0,0|0,1,1]=4 1146 B10R1.28 C[Si](c1ccccc1)(Cl)Cl B23999 [1,1,0,0,0,0|1,1,0]=4 1147 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl A13777 [1,1,0,0,0,0|2,0,0]=4 1148 B10R1.28 c1ccc(cc1)P(=O)(O)O B22939 [1,1,0,0,0,0|2,0,0]=4 1149 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl A10849 [1,1,0,0,0,0|2,0,0]=4 1150 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl L19465 [1,1,0,0,0,0|2,0,0]=4 1151 B10R1.28 c1ccc(cc1)S(=O)(=O)F L04689 [1,1,0,0,0,0|2,0,0]=4 1152 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [1,1,0,0,0,0|2,0,0]=4 1153 B10R1.28 c1ccc(cc1)S(=O)(=O)O A16148 [1,1,0,0,0,0|2,0,0]=4 1154 B10R1.28 c1ccc(cc1)S(=O)(=O)O L19077 [1,1,0,0,0,0|2,0,0]=4 1155 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] L12072 [1,1,0,0,0,0|2,0,0]=4 1156 B10R1.28 c1ccc(cc1)[As](=O)(O)O A10625 [1,1,0,0,0,0|2,0,0]=4 1157 B10R1.61 CC(=O)c1ccccc1Br A11982 [1,1,0,0,0,0|0,0,0]=2 1158 B10R1.61 CC(=O)c1ccccc1Cl A15232 [1,1,0,0,0,0|0,0,0]=2 1159 B10R1.61 CC(=O)c1ccccc1F A15128 [1,1,0,0,0,0|0,0,0]=2 1160 B10R1.61 CC(=O)c1ccccc1I B25345 [1,1,0,0,0,0|0,0,0]=2 1161 B10R1.61 CC(=O)c1ccccc1N A10895 [1,1,0,0,0,0|0,0,0]=2 1162 B10R1.61 CC(=O)c1ccccc1O A12550 [1,1,0,0,0,0|0,0,0]=2 1163 B10R1.61 CC(C)c1ccccc1Br L00941 [1,1,0,0,0,0|1,0,1]=4 1164 B10R1.61 CC(C)c1ccccc1I L01533 [1,1,0,0,0,0|1,0,1]=4 1165 B10R1.61 CC(C)c1ccccc1N A14671 [1,1,0,0,0,0|1,0,1]=4 1166 B10R1.61 CC(C)c1ccccc1O A12027 [1,1,0,0,0,0|1,0,1]=4 1167 B10R1.61 CC(c1ccccc1Cl)O B24800 [1,1,0,0,0,0|0,0,2]=4 1168 B10R1.61 CC(c1ccccc1F)O H31900 [1,1,0,0,0,0|0,0,2]=4 1169 B10R1.61 CN(C)c1ccccc1Br B25564 [1,1,0,0,0,0|2,0,0]=4 1170 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [1,1,0,0,0,0|0,0,2]=4 1171 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [1,1,0,0,0,0|0,0,2]=4 1172 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [1,1,0,0,0,0|0,0,2]=4 1173 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [1,1,0,0,0,0|2,0,0]=4 1174 B10R1.61 Cc1ccccc1C(=C)C H26073 [1,1,0,0,0,0|1,0,0]=3 1175 B10R1.61 Cc1ccccc1C(=O)C A11695 [1,1,0,0,0,0|0,0,0]=2 1176 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [1,1,0,0,0,0|1,0,0]=3 1177 B10R1.61 Cc1ccccc1C(=O)O A13856 [1,1,0,0,0,0|1,0,0]=3 1178 B10R1.61 Cc1ccccc1C(=S)N H51790 [1,1,0,0,0,0|1,1,0]=4 1179 B10R1.61 Cc1ccccc1C(C)O L08065 [1,1,0,0,0,0|0,0,2]=4 1180 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.61 Cc1ccncc1C(=O)C H33380 [1,1,0,0,0,0|1,0,0]=3 1182 B10R1.61 Cc1ccncc1C(=O)O B22367 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [1,1,0,0,0,0|2,0,0]=4 1189 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [1,1,0,0,0,0|2,0,0]=4 1194 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [1,1,0,0,0,0|2,0,0]=4 1195 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [1,1,0,0,0,0|1,0,0]=3 1198 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [1,1,0,0,0,0|1,0,0]=3 1199 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [1,1,0,0,0,0|1,0,0]=3 1200 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [1,1,0,0,0,0|1,0,0]=3 1201 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [1,1,0,0,0,0|1,0,0]=3 1202 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [1,1,0,0,0,0|1,0,0]=3 1203 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [1,1,0,0,0,0|1,0,0]=3 1204 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [1,1,0,0,0,0|1,0,0]=3 1206 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [1,1,0,0,0,0|1,0,0]=3 1207 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [1,1,0,0,0,0|1,0,0]=3 1208 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [1,1,0,0,0,0|1,0,0]=3 1209 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [1,1,0,0,0,0|1,0,0]=3 1210 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [1,1,0,0,0,0|1,0,0]=3 1211 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [1,1,0,0,0,0|1,0,0]=3 1212 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [1,1,0,0,0,0|1,0,0]=3 1214 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [1,1,0,0,0,0|1,0,0]=3 1215 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [1,1,0,0,0,0|1,0,0]=3 1216 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [1,1,0,0,0,0|1,0,0]=3 1217 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [1,1,0,0,0,0|1,1,0]=4 1219 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [1,1,0,0,0,0|1,1,0]=4 1220 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [1,1,0,0,0,0|1,1,0]=4 1221 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [1,1,0,0,0,0|2,0,0]=4 1222 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br A11686 [1,1,0,0,0,0|2,0,0]=4 1223 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F A13852 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I A12100 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.61 c1cncc(c1C(=O)O)F L20042 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.61 c1cncc(c1C(=O)O)N H28714 [1,1,0,0,0,0|2,0,0]=4 1232 B10R1.61 c1cncc(c1C(=O)O)O H63465 [1,1,0,0,0,0|2,0,0]=4 1233 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [1,1,0,0,0,0|2,0,0]=4 1234 B10R1.61 c1cncc(c1N)C(=O)O H50032 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.61 c1cncc(c1O)C(=O)O H32282 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [1,1,0,0,0,0|1,0,0]=3 1237 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [1,1,0,0,0,0|1,0,0]=3 1238 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [1,1,0,0,0,0|0,0,0]=2 1239 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [1,1,0,0,0,0|0,0,0]=2 1240 B10R1.113 CC(=O)c1cccc(c1)F A11733 [1,1,0,0,0,0|0,0,0]=2 1241 B10R1.113 CC(=O)c1cccc(c1)N A12503 [1,1,0,0,0,0|0,0,0]=2 1242 B10R1.113 CC(=O)c1cccc(c1)O A12547 [1,1,0,0,0,0|0,0,0]=2 1243 B10R1.113 CC(=O)c1cccc(n1)Br H55981 [1,1,0,0,0,0|1,0,0]=3 1244 B10R1.113 CC(=O)c1ccnc(c1)Cl H33619 [1,1,0,0,0,0|1,0,0]=3 1245 B10R1.113 CC(C)c1cccc(c1)Br L17654 [1,1,0,0,0,0|1,0,1]=4 1246 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [1,1,0,0,0,0|0,0,2]=4 1247 B10R1.113 CC(c1cccc(c1)F)O B23144 [1,1,0,0,0,0|0,0,2]=4 1248 B10R1.113 CC(c1cccc(c1)N)O L06513 [1,1,0,0,0,0|0,0,2]=4 1249 B10R1.113 CN(C)c1cccc(c1)Br L17279 [1,1,0,0,0,0|2,0,0]=4 1250 B10R1.113 CN(C)c1cccc(c1)Cl L08563 [1,1,0,0,0,0|2,0,0]=4 1251 B10R1.113 CN(C)c1cccc(c1)N L00403 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.113 CN(C)c1cccc(c1)O B23067 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [1,1,0,0,0,0|1,0,1]=4 1254 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [1,1,0,0,0,0|1,0,1]=4 1255 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [1,1,0,0,0,0|1,0,1]=4 1256 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [1,1,0,0,0,0|1,0,1]=4 1257 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [1,1,0,0,0,0|1,0,0]=3 1261 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [1,1,0,0,0,0|0,0,0]=2 1262 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [1,1,0,0,0,0|1,0,0]=3 1263 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [1,1,0,0,0,0|1,0,0]=3 1264 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [1,1,0,0,0,0|1,0,0]=3 1265 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [1,1,0,0,0,0|1,1,0]=4 1266 B10R1.113 Cc1cccc(c1)C(C)O H32784 [1,1,0,0,0,0|0,0,2]=4 1267 B10R1.113 Cc1cccc(c1)N(C)C A13326 [1,1,0,0,0,0|2,0,0]=4 1268 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [1,1,0,0,0,0|1,0,0]=3 1269 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [1,1,0,0,0,0|2,0,0]=4 1270 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [1,1,0,0,0,0|2,0,0]=4 1271 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [1,1,0,0,0,0|2,0,0]=4 1272 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [1,1,0,0,0,0|2,0,0]=4 1273 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [1,1,0,0,0,0|2,0,0]=4 1274 B10R1.113 c1c(cncc1F)C(=O)O H61162 [1,1,0,0,0,0|2,0,0]=4 1275 B10R1.113 c1c(cncc1N)C(=O)O H60192 [1,1,0,0,0,0|2,0,0]=4 1276 B10R1.113 c1c(cncc1O)C(=O)O H30725 [1,1,0,0,0,0|2,0,0]=4 1277 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [1,1,0,0,0,0|1,0,0]=3 1278 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [1,1,0,0,0,0|1,0,0]=3 1279 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [1,1,0,0,0,0|1,0,0]=3 1280 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [1,1,0,0,0,0|1,0,0]=3 1281 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [1,1,0,0,0,0|1,0,0]=3 1282 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [1,1,0,0,0,0|1,0,0]=3 1283 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [1,1,0,0,0,0|1,1,0]=4 1284 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] B23423 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [1,1,0,0,0,0|1,0,0]=3 1286 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [1,1,0,0,0,0|1,0,0]=3 1287 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [1,1,0,0,0,0|1,0,0]=3 1288 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] B25553 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [1,1,0,0,0,0|1,0,0]=3 1290 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [1,1,0,0,0,0|1,0,0]=3 1291 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] B21605 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [1,1,0,0,0,0|1,0,0]=3 1293 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [1,1,0,0,0,0|1,0,0]=3 1294 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [1,1,0,0,0,0|1,0,0]=3 1295 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [1,1,0,0,0,0|1,1,0]=4 1296 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [1,1,0,0,0,0|1,0,0]=3 1297 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [1,1,0,0,0,0|1,1,0]=4 1298 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] A15312 [1,1,0,0,0,0|2,0,0]=4 1299 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N A10629 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.113 c1cc(nc(c1)Br)C(=O)N H31811 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.113 c1cc(nc(c1)Cl)C(=O)N H33547 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.113 c1cc(nc(c1)F)C(=O)N H32911 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.113 c1cnc(cc1C(=O)N)Br L19854 [1,1,0,0,0,0|2,0,0]=4 1309 B10R1.113 c1cnc(cc1C(=O)N)Cl H25769 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.113 c1cnc(cc1C(=O)N)I H31468 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.113 c1cnc(cc1C(=O)N)N L19843 [1,1,0,0,0,0|2,0,0]=4 1312 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [1,1,0,0,0,0|2,0,0]=4 1316 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [1,1,0,0,0,0|2,0,0]=4 1317 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [1,1,0,0,0,0|2,0,0]=4 1318 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [1,1,0,0,0,0|2,0,0]=4 1319 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [1,1,0,0,0,0|2,0,0]=4 1320 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [1,1,0,0,0,0|2,0,0]=4 1321 B10R1.14 COC(=O)c1cc(c[nH]1)Br H33918 [0,1,0,0,1,0|2,0,0]=4 1322 B10R1.14 COC(=O)c1cc(c[nH]1)I H33193 [0,1,0,0,1,0|2,0,0]=4 1323 B10R1.14 COC(=O)c1ccc(o1)Br B20524 [0,1,0,0,1,0|2,0,0]=4 1324 B10R1.14 COC(=O)c1ccc(o1)N L05958 [0,1,0,0,1,0|2,0,0]=4 1325 B10R1.14 Cc1cc(n[nH]1)C(=O)OC H36130 [0,1,0,0,1,0|2,0,0]=4 1326 B10R1.14 Cc1cc(no1)C(=O)OC A19814 [0,1,0,0,1,0|2,0,0]=4 1327 B10R1.14 Cc1ccc(o1)C(=O)OC H27570 [0,1,0,0,1,0|1,0,0]=3 1328 B10R1.14 Cc1cnc(s1)C(=O)OC H63644 [0,1,0,0,1,0|2,0,0]=4 1329 B10R1.31 CC(=O)c1ccc(s1)C#N A12765 [0,1,0,0,1,0|1,0,1]=4 1330 B10R1.31 CSc1ccc(s1)C(=O)O H61106 [0,1,0,0,1,0|2,0,0]=4 1331 B10R1.58 Cc1cc(sc1C)C(=O)O H27210 [0,1,0,0,1,0|2,0,0]=4 1332 B10R1.59 CC(=O)c1cc(sc1Cl)Cl A13867 [0,1,0,0,1,0|2,0,0]=4 1333 B10R1.59 Cc1c(sc(n1)C)C(=O)C A13741 [0,1,0,0,1,0|2,0,0]=4 1334 B10R1.59 Cc1cc(c([nH]1)C)C(=O)O B20635 [0,1,0,0,1,0|2,0,0]=4 1335 B10R1.59 Cc1cc(c(o1)C)C(=O)C A15545 [0,1,0,0,1,0|1,0,0]=3 1336 B10R1.59 Cc1cc(c(o1)C)C(=O)Cl L18422 [0,1,0,0,1,0|2,0,0]=4 1337 B10R1.59 Cc1cc(c(s1)C)C(=O)C A17329 [0,1,0,0,1,0|1,0,0]=3 1338 B12R1.4 CC(=O)Cc1ccc(cc1)OC A13209 [0,1,0,0,0,1|0,0,0]=2 1339 B12R1.4 CC(=O)Nc1ccc(cc1)C#N A14941 [0,1,0,0,0,1|0,0,1]=3 1340 B12R1.4 CC(=O)Nc1ccc(cc1)C=O B20430 [0,1,0,0,0,1|0,0,1]=3 1341 B12R1.4 CC(=O)Nc1ccc(cc1)CO H33454 [0,1,0,0,0,1|0,0,0]=2 1342 B12R1.4 CC(=O)Nc1ccc(cc1)OC A13253 [0,1,0,0,0,1|0,0,0]=2 1343 B12R1.4 CC(=O)Oc1ccc(cc1)C#N H54358 [0,1,0,0,0,1|0,0,1]=3 1344 B12R1.4 CC(=O)Oc1ccc(cc1)C=C L11601 [0,1,0,0,0,1|0,0,1]=3 1345 B12R1.4 CC(=O)Oc1ccc(cc1)C=O B24907 [0,1,0,0,0,1|0,0,1]=3 1346 B12R1.4 CCc1ccc(cc1)CC(=O)C A18810 [0,1,0,0,0,1|0,0,0]=2 1347 B12R1.4 COc1ccc(cc1)CC(=O)Cl L15256 [0,1,0,0,0,1|1,0,0]=3 1348 B12R1.4 COc1ccc(cc1)CC(=O)N L05644 [0,1,0,0,0,1|1,0,0]=3 1349 B12R1.4 COc1ccc(cc1)CC(=O)O A14399 [0,1,0,0,0,1|1,0,0]=3 1350 B12R1.4 COc1ccc(cc1)CC(=S)N H26742 [0,1,0,0,0,1|1,1,0]=4 1351 B12R1.4 COc1ccc(cc1)NC(=O)N L01203 [0,1,0,0,0,1|1,0,0]=3 1352 B12R1.4 COc1ccc(cc1)NC(=S)N L00739 [0,1,0,0,0,1|1,1,0]=4 1353 B12R1.4 CSc1ccc(cc1)CC(=O)O H26888 [0,1,0,0,0,1|1,0,0]=3 1354 B12R1.4 c1cc(ccc1CC(=O)O)C#N H26062 [0,1,0,0,0,1|1,0,1]=4 1355 B12R1.4 c1cc(ccc1CC(=O)O)CBr H27744 [0,1,0,0,0,1|1,0,0]=3 1356 B12R1.4 c1cc(ccc1CC(=O)O)CO H27531 [0,1,0,0,0,1|1,0,0]=3 1357 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br A16547 [0,1,0,0,0,1|1,0,0]=3 1358 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F B24771 [0,1,0,0,0,1|1,0,0]=3 1359 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br B25531 [0,1,0,0,0,1|1,0,0]=3 1360 B12R1.19 Cc1cc(ccc1Br)NC(=O)C B21980 [0,1,0,0,0,1|1,0,0]=3 1361 B12R1.19 Cc1cc(ccc1F)CC(=O)O H30525 [0,1,0,0,0,1|2,0,0]=4 1362 B12R1.19 Cc1ccc(cc1C)CC(=O)O H63178 [0,1,0,0,0,1|1,0,0]=3 1363 B12R1.19 Cc1ccc(cc1C)NC(=O)C L01919 [0,1,0,0,0,1|0,0,0]=2 1364 B12R1.19 Cc1ccc(cc1Cl)NC(=O)C A19336 [0,1,0,0,0,1|0,0,0]=2 1365 B12R1.19 Cc1ccc(cc1F)CC(=O)O H26690 [0,1,0,0,0,1|1,0,0]=3 1366 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F H63622 [0,1,0,0,0,1|2,0,0]=4 1367 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl A15653 [0,1,0,0,0,1|2,0,0]=4 1368 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F H26114 [0,1,0,0,0,1|2,0,0]=4 1369 B12R1.19 c1cc(c(cc1CC(=O)O)F)Br H63809 [0,1,0,0,0,1|2,0,0]=4 1370 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl H26592 [0,1,0,0,0,1|2,0,0]=4 1371 B12R1.19 c1cc(c(cc1CC(=O)O)F)F A16584 [0,1,0,0,0,1|2,0,0]=4 1372 B12R1.19 c1cc(c(cc1CC(=O)O)F)O A12114 [0,1,0,0,0,1|2,0,0]=4 1373 B12R1.19 c1cc(c(cc1CC(=O)O)O)O A15893 [0,1,0,0,0,1|2,0,0]=4 1374 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O L06020 [0,1,0,0,0,1|2,0,0]=4 1375 B12R1.20 CC(c1ccc(cc1)O)C(=O)O B24938 [0,1,0,0,0,1|2,0,0]=4 1376 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br H64881 [0,1,0,0,0,1|1,0,1]=4 1377 B12R1.20 Cc1ccc(cc1)C(=O)N(C)C H57881 [0,1,0,0,0,1|2,0,0]=4 1378 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)O H25953 [0,1,0,0,0,1|1,0,0]=3 1379 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl H60141 [0,1,0,0,0,1|2,0,0]=4 1380 B12R1.20 c1cc(ccc1C(C(=O)O)Br)F H66692 [0,1,0,0,0,1|2,0,0]=4 1381 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br H33865 [0,1,0,0,0,1|2,0,0]=4 1382 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl H59921 [0,1,0,0,0,1|2,0,0]=4 1383 B12R1.20 c1cc(ccc1C(C(=O)O)N)F L18932 [0,1,0,0,0,1|2,0,0]=4 1384 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br A12978 [0,1,0,0,0,1|2,0,0]=4 1385 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl B24264 [0,1,0,0,0,1|2,0,0]=4 1386 B12R1.20 c1cc(ccc1C(C(=O)O)O)F A13391 [0,1,0,0,0,1|2,0,0]=4 1387 B12R1.20 c1cc(ccc1C(C(=O)O)O)O L05916 [0,1,0,0,0,1|2,0,0]=4 1388 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F H61495 [0,1,0,0,0,1|2,0,0]=4 1389 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O L07190 [0,1,0,0,0,1|2,0,0]=4 1390 B12R1.49 COC(=O)Cc1ccc(cc1)F H32236 [0,1,0,0,0,1|1,0,0]=3 1391 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [0,1,0,0,0,1|1,0,0]=3 1392 B12R1.49 Cc1ccc(cc1)C\C(=N\O)\N H66026 [0,1,0,0,0,1|1,0,1]=4 1393 B12R1.49 Cc1ccc(cc1)NC(=S)NN L11268 [0,1,0,0,0,1|1,1,0]=4 1394 B12R1.49 c1cc(ccc1NC(=O)CCl)F A17669 [0,1,0,0,0,1|1,0,0]=3 1395 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl H26038 [0,1,0,0,0,1|2,0,0]=4 1396 B12R1.233 CC(=O)Nc1ccc(cc1Br)F B25133 [0,1,0,0,0,1|1,0,0]=3 1397 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br A18652 [0,1,0,0,0,1|1,0,0]=3 1398 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl B21795 [0,1,0,0,0,1|1,0,0]=3 1399 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F B21762 [0,1,0,0,0,1|1,0,0]=3 1400 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N B25602 [0,1,0,0,0,1|1,0,0]=3 1401 B12R1.233 CC(=O)Nc1ccc(cc1F)Br A15723 [0,1,0,0,0,1|1,0,0]=3 1402 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl A16940 [0,1,0,0,0,1|1,0,0]=3 1403 B12R1.233 CC(=O)Nc1ccc(cc1F)F A10490 [0,1,0,0,0,1|1,0,0]=3 1404 B12R1.233 Cc1cc(ccc1CC(=O)O)F H26365 [0,1,0,0,0,1|2,0,0]=4 1405 B12R1.233 Cc1cc(ccc1NC(=O)C)Br A18980 [0,1,0,0,0,1|1,0,0]=3 1406 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl B22371 [0,1,0,0,0,1|1,0,0]=3 1407 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C B22213 [0,1,0,0,0,1|0,0,0]=2 1408 B12R1.233 Cc1ccc(c(c1)Br)NC(=S)N L11774 [0,1,0,0,0,1|1,1,0]=4 1409 B12R1.233 Cc1ccc(c(c1)C)CC(=O)O H50284 [0,1,0,0,0,1|1,0,0]=3 1410 B12R1.233 Cc1ccc(c(c1)C)NC(=O)C H55605 [0,1,0,0,0,1|0,0,0]=2 1411 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N B25668 [0,1,0,0,0,1|1,0,0]=3 1412 B12R1.233 Cc1ccc(c(c1)C)NC(=S)N L12206 [0,1,0,0,0,1|1,1,0]=4 1413 B12R1.233 Cc1ccc(c(c1)F)CC(=O)O H26647 [0,1,0,0,0,1|1,0,0]=3 1414 B12R1.233 Cc1ccc(c(c1)O)NC(=O)C H66423 [0,1,0,0,0,1|0,0,0]=2 1415 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O H61176 [0,1,0,0,0,1|2,0,0]=4 1416 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O A11791 [0,1,0,0,0,1|2,0,0]=4 1417 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O H26512 [0,1,0,0,0,1|2,0,0]=4 1418 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O B22872 [0,1,0,0,0,1|2,0,0]=4 1419 B12R1.233 c1cc(c(cc1F)F)CC(=O)O B20431 [0,1,0,0,0,1|2,0,0]=4 1420 B12R1.5 CCC(=O)c1ccc(cc1)OC A14619 [0,2,0,0,0,0|0,0,0]=2 1421 B12R1.5 CCc1ccc(cc1)\C(=N\O)\N H52259 [0,2,0,0,0,0|1,0,1]=4 1422 B12R1.5 CNc1ccc(cc1)C(=O)OC A13460 [0,2,0,0,0,0|0,0,0]=2 1423 B12R1.5 COC(=O)c1ccc(cc1)C#C H53419 [0,2,0,0,0,0|0,0,1]=3 1424 B12R1.5 COC(=O)c1ccc(cc1)C#N L08365 [0,2,0,0,0,0|0,0,1]=3 1425 B12R1.5 COC(=O)c1ccc(cc1)C=C H60057 [0,2,0,0,0,0|0,0,1]=3 1426 B12R1.5 COC(=O)c1ccc(cc1)C=O B24091 [0,2,0,0,0,0|0,0,1]=3 1427 B12R1.5 COC(=O)c1ccc(cc1)CBr A10557 [0,2,0,0,0,0|0,0,0]=2 1428 B12R1.5 COC(=O)c1ccc(cc1)CCl B22476 [0,2,0,0,0,0|0,0,0]=2 1429 B12R1.5 COC(=O)c1ccc(cc1)CO B22564 [0,2,0,0,0,0|0,0,0]=2 1430 B12R1.5 COC(=O)c1ccc(nc1)CO H64750 [0,2,0,0,0,0|1,0,0]=3 1431 B12R1.5 COc1ccc(cc1)C(=O)C=O L20274 [0,2,0,0,0,0|0,0,1]=3 1432 B12R1.5 COc1ccc(cc1)C(=O)CBr A13415 [0,2,0,0,0,0|0,0,0]=2 1433 B12R1.5 COc1ccc(cc1)C(=O)CN H66966 [0,2,0,0,0,0|0,0,0]=2 1434 B12R1.5 COc1ccc(cc1)C(=O)NN A13015 [0,2,0,0,0,0|1,0,0]=3 1435 B12R1.5 COc1ccc(cc1)C(=O)OC A12598 [0,2,0,0,0,0|0,0,0]=2 1436 B12R1.5 COc1ccc(cc1)\C(=N\O)\N H52141 [0,2,0,0,0,0|1,0,1]=4 1437 B12R1.5 COc1ccc(cn1)C(=O)OC B20808 [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.5 c1cc(ccc1C#N)C(=O)CBr B25382 [0,2,0,0,0,0|0,0,1]=3 1439 B12R1.5 c1cc(ccc1CO)\C(=N\O)\N H52161 [0,2,0,0,0,0|1,0,1]=4 1440 B12R1.6 CC(C)(C)c1ccc(cc1)CBr H26991 [0,2,0,0,0,0|1,0,1]=4 1441 B12R1.6 CC(C)(C)c1ccc(cc1)CCl A11856 [0,2,0,0,0,0|1,0,1]=4 1442 B12R1.6 CC(C)(C)c1ccc(cc1)CN L20394 [0,2,0,0,0,0|1,0,1]=4 1443 B12R1.6 CC(C)(C)c1ccc(cc1)CO B21260 [0,2,0,0,0,0|1,0,1]=4 1444 B12R1.6 CC(C)(C)c1ccc(cc1)OC B25357 [0,2,0,0,0,0|1,0,1]=4 1445 B12R1.6 CCc1ccc(cc1)S(=O)(=O)Cl B24682 [0,2,0,0,0,0|2,0,0]=4 1446 B12R1.6 CNc1ccc(cc1)S(=O)(=O)O L01016 [0,2,0,0,0,0|2,0,0]=4 1447 B12R1.6 COc1ccc(cc1)S(=O)(=O)Cl A13788 [0,2,0,0,0,0|2,0,0]=4 1448 B12R1.6 COc1ccc(cc1)S(=O)(=O)N L08961 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.6 CS(=O)(=O)c1ccc(cc1)CBr H50241 [0,2,0,0,0,0|1,0,0]=3 1450 B12R1.6 c1cc(ccc1CBr)S(=O)(=O)Cl A10120 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC H25826 [0,2,0,0,0,0|0,0,0]=2 1452 B12R1.48 CC(=O)c1ccc(c(c1)F)OC A18972 [0,2,0,0,0,0|0,0,0]=2 1453 B12R1.48 COc1ccc(cc1Br)C(=O)O A12653 [0,2,0,0,0,0|1,0,0]=3 1454 B12R1.48 COc1ccc(cc1Br)[N+](=O)[O-] L07181 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.48 COc1ccc(cc1Cl)C(=O)O A10106 [0,2,0,0,0,0|1,0,0]=3 1456 B12R1.48 COc1ccc(cc1F)C(=O)Cl H26095 [0,2,0,0,0,0|1,0,0]=3 1457 B12R1.48 COc1ccc(cc1F)C(=O)O B21921 [0,2,0,0,0,0|1,0,0]=3 1458 B12R1.48 COc1ccc(cc1F)[N+](=O)[O-] H31736 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.48 COc1ccc(cc1I)C(=O)O B24783 [0,2,0,0,0,0|1,0,0]=3 1460 B12R1.48 COc1ccc(cc1N)C(=O)N A13942 [0,2,0,0,0,0|1,0,0]=3 1461 B12R1.48 COc1ccc(cc1N)C(=O)O B20669 [0,2,0,0,0,0|1,0,0]=3 1462 B12R1.48 COc1ccc(cc1N)[N+](=O)[O-] B25591 [0,2,0,0,0,0|2,0,0]=4 1463 B12R1.48 COc1ccc(cc1O)C(=O)O A13709 [0,2,0,0,0,0|1,0,0]=3 1464 B12R1.48 COc1ccc(cc1O)[N+](=O)[O-] L11822 [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.48 c1cc(c(cc1[N+](=O)[O-])F)CO H33494 [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.113 CC(=O)c1ccc(cc1)CCCl L13800 [0,2,0,0,0,0|0,0,0]=2 1467 B12R1.113 CC(=O)c1ccc(cc1)N=C=O L09665 [0,2,0,0,0,0|0,0,1]=3 1468 B12R1.113 CC(=O)c1ccc(cc1)N=C=S L11927 [0,2,0,0,0,0|0,0,1]=3 1469 B12R1.113 CC(C)c1ccc(cc1)CC#N L10715 [0,2,0,0,0,0|1,0,1]=4 1470 B12R1.113 CCCc1ccc(cc1)C(=O)C L01144 [0,2,0,0,0,0|0,0,0]=2 1471 B12R1.113 CCCc1ccc(cc1)C(=O)Cl A13452 [0,2,0,0,0,0|1,0,0]=3 1472 B12R1.113 CCCc1ccc(cc1)C(=O)O A14538 [0,2,0,0,0,0|1,0,0]=3 1473 B12R1.113 CCCc1ccc(cc1)[N+](=O)[O-] L07730 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.113 CCOc1ccc(cc1)C(=O)C A11031 [0,2,0,0,0,0|0,0,0]=2 1475 B12R1.113 CCOc1ccc(cc1)C(=O)Cl H63664 [0,2,0,0,0,0|1,0,0]=3 1476 B12R1.113 CCOc1ccc(cc1)C(=O)O A12309 [0,2,0,0,0,0|1,0,0]=3 1477 B12R1.113 CCOc1ccc(cc1)C(=S)N H26691 [0,2,0,0,0,0|1,1,0]=4 1478 B12R1.113 CCOc1ccc(cc1)C(C)O H30052 [0,2,0,0,0,0|0,0,2]=4 1479 B12R1.113 c1cc(ccc1CC#N)[N+](=O)[O-] A14821 [0,2,0,0,0,0|2,0,0]=4 1480 B12R1.113 c1cc(ccc1CCBr)[N+](=O)[O-] A15677 [0,2,0,0,0,0|2,0,0]=4 1481 B12R1.113 c1cc(ccc1CCCl)C(=O)O L04068 [0,2,0,0,0,0|1,0,0]=3 1482 B12R1.113 c1cc(ccc1CCN)[N+](=O)[O-] H64894 [0,2,0,0,0,0|2,0,0]=4 1483 B12R1.113 c1cc(ccc1CCO)[N+](=O)[O-] H54504 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.113 c1cc(ccc1CON)[N+](=O)[O-] L05861 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.256 B(c1ccc(cc1)C(=O)C)(O)O B23234 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.256 B(c1ccc(cc1)C(=O)N)(O)O H53345 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.256 B(c1ccc(cc1)C(=O)O)(O)O B20954 [0,2,0,0,0,0|2,0,0]=4 1488 B12R1.256 B(c1ccc(cc1)S(=O)C)(O)O L17865 [0,2,0,0,0,0|2,0,0]=4 1489 B12R1.256 CC(=O)c1ccc(cc1)C(=O)O A15239 [0,2,0,0,0,0|0,0,1]=3 1490 B12R1.256 CC(=O)c1ccc(cc1)[N+](=O)[O-] A13877 [0,2,0,0,0,0|1,0,0]=3 1491 B12R1.256 CC(C)c1ccc(cc1)C(=O)C B20581 [0,2,0,0,0,0|0,0,0]=2 1492 B12R1.256 CC(C)c1ccc(cc1)C(=O)Cl H36645 [0,2,0,0,0,0|1,0,0]=3 1493 B12R1.256 CC(C)c1ccc(cc1)C(=O)O B20704 [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.256 CC(C)c1ccc(cc1)C(C)C B22871 [0,2,0,0,0,0|1,0,1]=4 1495 B12R1.256 CC(c1ccc(cc1)C(=O)O)Br L13025 [0,2,0,0,0,0|1,0,0]=3 1496 B12R1.256 CN(C)c1ccc(cc1)C(=O)Cl L14176 [0,2,0,0,0,0|1,0,0]=3 1497 B12R1.256 CN(C)c1ccc(cc1)C(=O)O A14338 [0,2,0,0,0,0|1,0,0]=3 1498 B12R1.256 CN(C)c1ccc(cc1)C(=S)N H34408 [0,2,0,0,0,0|1,1,0]=4 1499 B12R1.256 CN(C)c1ccc(cc1)N(C)C A12107 [0,2,0,0,0,0|2,0,0]=4 1500 B12R1.256 CN(C)c1ccc(cc1)N(C)C L00559 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.256 CN(C)c1ccc(cc1)[N+](=O)[O-] L00404 [0,2,0,0,0,0|2,0,0]=4 1502 B12R1.256 C[SiH](C)c1ccc(cc1)[SiH](C)C A12126 [0,2,0,0,0,0|1,1,0]=4 1503 B12R1.256 c1cc(ccc1C(=O)Cl)C(=O)Cl A11224 [0,2,0,0,0,0|1,0,1]=4 1504 B12R1.256 c1cc(ccc1C(=O)Cl)[N+](=O)[O-] A12543 [0,2,0,0,0,0|2,0,0]=4 1505 B12R1.256 c1cc(ccc1C(=O)N)[N+](=O)[O-] A11536 [0,2,0,0,0,0|2,0,0]=4 1506 B12R1.256 c1cc(ccc1C(=O)O)C(=O)O A12527 [0,2,0,0,0,0|1,0,1]=4 1507 B12R1.256 c1cc(ccc1C(=O)O)[N+](=O)[O-] A14738 [0,2,0,0,0,0|2,0,0]=4 1508 B12R1.256 c1cc(ccc1C(=O)[O-])C(=O)[O-] 42946 [0,2,0,0,0,0|1,0,1]=4 1509 B12R1.452 CC(=O)c1ccc(cc1F)OC A16891 [0,2,0,0,0,0|0,0,0]=2 1510 B12R1.452 CC(=O)c1ccc(cc1O)OC B22173 [0,2,0,0,0,0|0,0,0]=2 1511 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O H32014 [0,2,0,0,0,0|1,0,0]=3 1512 B12R1.452 COc1ccc(c(c1)F)C(=O)Cl H31644 [0,2,0,0,0,0|1,0,0]=3 1513 B12R1.452 COc1ccc(c(c1)F)C(=O)N H31636 [0,2,0,0,0,0|1,0,0]=3 1514 B12R1.452 COc1ccc(c(c1)F)C(=O)O H26426 [0,2,0,0,0,0|1,0,0]=3 1515 B12R1.452 COc1ccc(c(c1)N)C(=O)O H32319 [0,2,0,0,0,0|1,0,0]=3 1516 B12R1.452 COc1ccc(c(c1)N)[N+](=O)[O-] H34046 [0,2,0,0,0,0|2,0,0]=4 1517 B12R1.452 COc1ccc(c(c1)O)C(=O)O H55345 [0,2,0,0,0,0|1,0,0]=3 1518 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O H34001 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.452 Cc1cc(ccc1C(=O)O)OC H27096 [0,2,0,0,0,0|1,0,0]=3 1520 B12R1.452 Cc1cc(ccc1[N+](=O)[O-])OC B22348 [0,2,0,0,0,0|2,0,0]=4 1521 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O L19722 [0,2,0,0,0,0|1,0,1]=4 1522 B12R1.452 c1cc(c(cc1CBr)F)[N+](=O)[O-] H26193 [0,2,0,0,0,0|2,0,0]=4 1523 B12R1.9 Cc1ccc(cc1)S(=O)(=O)NN A13529 [0,2,0,0,0,0|2,0,0]=4 1524 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC A10881 [0,2,0,0,0,0|1,0,0]=3 1525 B12R1.9 Cc1ccc(cc1)S(=O)(=O)[N-]Cl 42374 [0,2,0,0,0,0|2,0,0]=4 1526 B12R1.9 Cc1ccc(cc1)S(=O)(=O)[N-]Cl A12044 [0,2,0,0,0,0|2,0,0]=4 1527 B12R1.9 Cc1ccc(cc1)[Si](C)(C)OC H27943 [0,2,0,0,0,0|0,1,1]=4 1528 B12R1.23 CS(=O)(=O)c1ccc(c(c1)F)O H33358 [0,2,0,0,0,0|2,0,0]=4 1529 B12R1.23 Cc1ccc(cc1C)C(C)(C)C L08552 [0,2,0,0,0,0|1,0,1]=4 1530 B12R1.23 Cc1ccc(cc1C)S(=O)(=O)Cl B24806 [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.23 Cc1ccc(cc1Cl)S(=O)(=O)Cl L19886 [0,2,0,0,0,0|2,0,0]=4 1532 B12R1.23 Cc1ccc(cc1Cl)S(=O)(=O)N H32513 [0,2,0,0,0,0|2,0,0]=4 1533 B12R1.23 Cc1ccc(cc1F)S(=O)(=O)Cl L19516 [0,2,0,0,0,0|2,0,0]=4 1534 B12R1.23 Cc1ccc(cc1S)C(C)(C)C L19212 [0,2,0,0,0,0|1,0,1]=4 1535 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)Cl H50301 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.56 CC(=O)c1ccc(c(c1)OC)F L19894 [0,2,0,0,0,0|1,0,0]=3 1537 B12R1.56 CC(=O)c1ccc(c(c1)OC)O A10439 [0,2,0,0,0,0|1,0,0]=3 1538 B12R1.56 COc1cc(ccc1F)C(=O)O L19673 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.56 COc1cc(ccc1N)C(=O)O H28098 [0,2,0,0,0,0|2,0,0]=4 1540 B12R1.56 COc1cc(ccc1O)C(=O)O A12074 [0,2,0,0,0,0|2,0,0]=4 1541 B12R1.56 Cc1ccc(cc1C#N)[N+](=O)[O-] A11392 [0,2,0,0,0,0|2,0,0]=4 1542 B12R1.56 Cc1ccc(cc1OC)C(=O)O B22982 [0,2,0,0,0,0|1,0,0]=3 1543 B12R1.232 CC(=O)c1cc(c(cc1Cl)Cl)F B22153 [0,2,0,0,0,0|1,0,0]=3 1544 B12R1.232 CC(=O)c1cc(c(cc1Cl)F)F H31961 [0,2,0,0,0,0|1,0,0]=3 1545 B12R1.232 CC(=O)c1cc(c(cc1F)Br)F H59035 [0,2,0,0,0,0|1,0,0]=3 1546 B12R1.232 CC(=O)c1cc(c(cc1F)F)F H26205 [0,2,0,0,0,0|1,0,0]=3 1547 B12R1.232 Cc1cc(c(cc1Br)O)C(=O)C H29125 [0,2,0,0,0,0|1,0,0]=3 1548 B12R1.232 Cc1cc(c(cc1C(=O)O)F)F H26141 [0,2,0,0,0,0|2,0,0]=4 1549 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C A10614 [0,2,0,0,0,0|0,0,0]=2 1550 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C H50685 [0,2,0,0,0,0|0,0,0]=2 1551 B12R1.232 Cc1cc(c(cc1C)[N+](=O)[O-])N A15556 [0,2,0,0,0,0|2,0,0]=4 1552 B12R1.232 Cc1cc(c(cc1Cl)C(C)C)O B21906 [0,2,0,0,0,0|1,0,1]=4 1553 B12R1.232 Cc1cc(c(cc1F)C(=O)O)F H63652 [0,2,0,0,0,0|1,0,0]=3 1554 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O H31770 [0,2,0,0,0,0|2,0,0]=4 1555 B12R1.232 Cc1cc(c(cc1F)[N+](=O)[O-])F H63738 [0,2,0,0,0,0|2,0,0]=4 1556 B12R1.232 Cc1cc(c(cc1N)C(C)C)O L16282 [0,2,0,0,0,0|1,0,1]=4 1557 B12R1.232 Cc1cc(c(cc1[N+](=O)[O-])Br)C H66208 [0,2,0,0,0,0|2,0,0]=4 1558 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O A18230 [0,2,0,0,0,0|2,0,0]=4 1559 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O H63965 [0,2,0,0,0,0|2,0,0]=4 1560 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)Cl B23514 [0,2,0,0,0,0|2,0,0]=4 1561 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)N B24401 [0,2,0,0,0,0|2,0,0]=4 1562 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O B22064 [0,2,0,0,0,0|2,0,0]=4 1563 B12R1.232 c1c(c(cc(c1F)Cl)F)C(=O)O H55521 [0,2,0,0,0,0|2,0,0]=4 1564 B12R1.232 c1c(c(cc(c1F)F)Br)C(=O)O H60418 [0,2,0,0,0,0|2,0,0]=4 1565 B12R1.232 c1c(c(cc(c1F)F)Cl)C(=O)O B24174 [0,2,0,0,0,0|2,0,0]=4 1566 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)Cl A18603 [0,2,0,0,0,0|2,0,0]=4 1567 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O A14193 [0,2,0,0,0,0|2,0,0]=4 1568 B12R1.232 c1c(c(cc(c1F)F)I)C(=O)O H61798 [0,2,0,0,0,0|2,0,0]=4 1569 B12R1.232 c1c(c(cc(c1F)F)N)C(=O)O L19950 [0,2,0,0,0,0|2,0,0]=4 1570 B12R1.232 c1c(c(cc(c1I)F)F)C(=O)O H33673 [0,2,0,0,0,0|2,0,0]=4 1571 B12R1.232 c1c(c(cc(c1N)F)F)C(=O)O H31845 [0,2,0,0,0,0|2,0,0]=4 1572 B12R1.367 CCC(=O)c1ccc(c(c1)Br)F B25429 [0,2,0,0,0,0|1,0,0]=3 1573 B12R1.367 CCC(=O)c1ccc(c(c1)Cl)Cl A18740 [0,2,0,0,0,0|1,0,0]=3 1574 B12R1.367 CCC(=O)c1ccc(c(c1)F)Cl H31529 [0,2,0,0,0,0|1,0,0]=3 1575 B12R1.367 CCC(=O)c1ccc(c(c1)F)F A17257 [0,2,0,0,0,0|1,0,0]=3 1576 B12R1.367 CCC(=O)c1ccc(c(c1)O)O A13444 [0,2,0,0,0,0|1,0,0]=3 1577 B12R1.367 COC(=O)c1cc(c(nc1)Br)F H64395 [0,2,0,0,0,0|2,0,0]=4 1578 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br H64754 [0,2,0,0,0,0|2,0,0]=4 1579 B12R1.367 COC(=O)c1cc(c(nc1)N)Br H33991 [0,2,0,0,0,0|2,0,0]=4 1580 B12R1.367 COC(=O)c1cc(c(nc1)O)Br H33548 [0,2,0,0,0,0|2,0,0]=4 1581 B12R1.367 COC(=O)c1ccc(c(c1)Br)N H64303 [0,2,0,0,0,0|1,0,0]=3 1582 B12R1.367 COC(=O)c1ccc(c(c1)Br)O H30222 [0,2,0,0,0,0|1,0,0]=3 1583 B12R1.367 COC(=O)c1ccc(c(c1)Cl)Cl B20027 [0,2,0,0,0,0|1,0,0]=3 1584 B12R1.367 COC(=O)c1ccc(c(c1)Cl)N B22519 [0,2,0,0,0,0|1,0,0]=3 1585 B12R1.367 COC(=O)c1ccc(c(c1)Cl)O A12389 [0,2,0,0,0,0|1,0,0]=3 1586 B12R1.367 COC(=O)c1ccc(c(c1)F)F A19866 [0,2,0,0,0,0|1,0,0]=3 1587 B12R1.367 COC(=O)c1ccc(c(c1)F)O H61219 [0,2,0,0,0,0|1,0,0]=3 1588 B12R1.367 COC(=O)c1ccc(c(c1)I)O H56877 [0,2,0,0,0,0|1,0,0]=3 1589 B12R1.367 COC(=O)c1ccc(c(c1)N)I B25699 [0,2,0,0,0,0|1,0,0]=3 1590 B12R1.367 COC(=O)c1ccc(c(c1)N)N A14656 [0,2,0,0,0,0|1,0,0]=3 1591 B12R1.367 COC(=O)c1ccc(c(c1)N)O H66894 [0,2,0,0,0,0|1,0,0]=3 1592 B12R1.367 COC(=O)c1ccc(c(c1)O)F B25683 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.367 COC(=O)c1ccc(c(c1)O)I H64354 [0,2,0,0,0,0|1,0,0]=3 1594 B12R1.367 COC(=O)c1ccc(c(c1)O)N L05687 [0,2,0,0,0,0|1,0,0]=3 1595 B12R1.367 COC(=O)c1ccc(c(c1)O)O L09552 [0,2,0,0,0,0|1,0,0]=3 1596 B12R1.367 Cc1cc(ccc1Br)C(=O)OC A19078 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.367 Cc1cc(ccc1Cl)C(=O)OC L13110 [0,2,0,0,0,0|1,0,0]=3 1598 B12R1.367 Cc1cc(ccc1I)C(=O)OC B25395 [0,2,0,0,0,0|1,0,0]=3 1599 B12R1.367 Cc1cc(ccc1N)C(=O)OC H61117 [0,2,0,0,0,0|1,0,0]=3 1600 B12R1.367 Cc1ccc(cc1Br)C(=O)OC B24372 [0,2,0,0,0,0|0,0,0]=2 1601 B12R1.367 Cc1ccc(cc1C)C(=O)OC B20024 [0,2,0,0,0,0|0,0,0]=2 1602 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC H25933 [0,2,0,0,0,0|0,0,0]=2 1603 B12R1.367 Cc1ccc(cc1I)C(=O)OC H28734 [0,2,0,0,0,0|0,0,0]=2 1604 B12R1.367 Cc1ccc(cc1N)C(=O)OC A15348 [0,2,0,0,0,0|0,0,0]=2 1605 B12R1.367 c1cc(c(cc1C(=O)C=O)F)F L20271 [0,2,0,0,0,0|1,0,1]=4 1606 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)Cl A13365 [0,2,0,0,0,0|1,0,0]=3 1607 B12R1.367 c1cc(c(cc1C(=O)CBr)Cl)F H61852 [0,2,0,0,0,0|1,0,0]=3 1608 B12R1.367 c1cc(c(cc1C(=O)CCl)Cl)Cl B25397 [0,2,0,0,0,0|1,0,0]=3 1609 B12R1.367 c1cc(c(cc1C(=O)CCl)O)O B23496 [0,2,0,0,0,0|1,0,0]=3 1610 B12R1.367 c1cc(c(cc1C(=O)NN)N)N L05263 [0,2,0,0,0,0|2,0,0]=4 1611 B12R1.367 c1cc(c(cc1C(=O)NN)N)O A11538 [0,2,0,0,0,0|2,0,0]=4 1612 B12R1.367 c1cc(c(cc1C(=O)NN)O)O B21746 [0,2,0,0,0,0|2,0,0]=4 1613 B12R1.893 CC(=O)c1ccc(c(c1Cl)Cl)Cl A13790 [0,2,0,0,0,0|1,0,0]=3 1614 B12R1.893 CC(=O)c1ccc(c(c1F)F)F H26541 [0,2,0,0,0,0|1,0,0]=3 1615 B12R1.893 CC(=O)c1ccc(c(c1O)O)O A14364 [0,2,0,0,0,0|1,0,0]=3 1616 B12R1.893 Cc1c(ccc(c1Cl)C(=O)O)F H51879 [0,2,0,0,0,0|2,0,0]=4 1617 B12R1.893 Cc1c(ccc(c1F)C(=O)Cl)F H31658 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.893 Cc1c(ccc(c1F)F)C(=O)O H32326 [0,2,0,0,0,0|2,0,0]=4 1619 B12R1.893 Cc1c(ccc(c1O)C(=O)C)O B20272 [0,2,0,0,0,0|1,0,0]=3 1620 B12R1.893 Cc1ccc(c(c1C)N)C(=O)O B25313 [0,2,0,0,0,0|1,0,0]=3 1621 B12R1.893 Cc1ccc(c(c1C)N)[N+](=O)[O-] A10412 [0,2,0,0,0,0|2,0,0]=4 1622 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C H26388 [0,2,0,0,0,0|0,0,0]=2 1623 B12R1.893 Cc1ccc(c(c1F)F)C(=O)Cl L18170 [0,2,0,0,0,0|1,0,0]=3 1624 B12R1.893 Cc1ccc(c(c1F)F)C(=O)N B24254 [0,2,0,0,0,0|1,0,0]=3 1625 B12R1.893 Cc1ccc(c(c1F)F)C(=O)O B22949 [0,2,0,0,0,0|1,0,0]=3 1626 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)Cl)F L18183 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.893 c1cc(c(c(c1C(=O)Cl)F)F)F B23484 [0,2,0,0,0,0|2,0,0]=4 1628 B12R1.893 c1cc(c(c(c1C(=O)N)F)F)F L11304 [0,2,0,0,0,0|2,0,0]=4 1629 B12R1.893 c1cc(c(c(c1C(=O)O)F)Cl)F B24127 [0,2,0,0,0,0|2,0,0]=4 1630 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Cl H63623 [0,2,0,0,0,0|2,0,0]=4 1631 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F B20696 [0,2,0,0,0,0|2,0,0]=4 1632 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)O H26087 [0,2,0,0,0,0|2,0,0]=4 1633 B12R1.893 c1cc(c(c(c1C(=O)O)O)F)F H26088 [0,2,0,0,0,0|2,0,0]=4 1634 B12R1.893 c1cc(c(c(c1C(=O)O)O)O)O B20371 [0,2,0,0,0,0|2,0,0]=4 1635 B12R1.1005 CC(=O)c1cc(c(c(c1)F)F)F L19187 [0,2,0,0,0,0|1,0,0]=3 1636 B12R1.1005 Cc1c(cc(cc1Br)C(=O)O)Br B25390 [0,2,0,0,0,0|1,0,0]=3 1637 B12R1.1005 Cc1c(cc(cc1Br)[N+](=O)[O-])Br L13102 [0,2,0,0,0,0|2,0,0]=4 1638 B12R1.1005 Cc1c(cc(cc1O)C(=O)O)O A19196 [0,2,0,0,0,0|1,0,0]=3 1639 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)C H26487 [0,2,0,0,0,0|1,0,0]=3 1640 B12R1.1005 Cc1cc(cc(c1F)C)C(=O)O H26663 [0,2,0,0,0,0|2,0,0]=4 1641 B12R1.1005 Cc1cc(cc(c1F)F)C(=O)O H32313 [0,2,0,0,0,0|2,0,0]=4 1642 B12R1.1005 Cc1cc(cc(c1O)C)C(=O)O A13051 [0,2,0,0,0,0|2,0,0]=4 1643 B12R1.1005 c1c(cc(c(c1Br)O)Br)C(=O)O A18361 [0,2,0,0,0,0|2,0,0]=4 1644 B12R1.1005 c1c(cc(c(c1Cl)N)Cl)C(=O)O A14982 [0,2,0,0,0,0|2,0,0]=4 1645 B12R1.1005 c1c(cc(c(c1Cl)O)Cl)C(=O)O A12923 [0,2,0,0,0,0|2,0,0]=4 1646 B12R1.1005 c1c(cc(c(c1F)Br)F)C(=O)O H59904 [0,2,0,0,0,0|2,0,0]=4 1647 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)Cl L19188 [0,2,0,0,0,0|2,0,0]=4 1648 B12R1.1005 c1c(cc(c(c1F)F)F)C(=O)O L18939 [0,2,0,0,0,0|2,0,0]=4 1649 B12R1.1005 c1c(cc(c(c1I)F)I)C(=O)O H34411 [0,2,0,0,0,0|2,0,0]=4 1650 B12R1.1005 c1c(cc(c(c1I)N)I)C(=O)O A10617 [0,2,0,0,0,0|2,0,0]=4 1651 B12R1.1005 c1c(cc(c(c1I)O)I)C(=O)O L02595 [0,2,0,0,0,0|2,0,0]=4 1652 B12R1.1005 c1c(cc(c(c1O)Br)O)C(=O)N B20493 [0,2,0,0,0,0|2,0,0]=4 1653 B12R1.1005 c1c(cc(c(c1O)Br)O)C(=O)O A18914 [0,2,0,0,0,0|2,0,0]=4 1654 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)N B20620 [0,2,0,0,0,0|2,0,0]=4 1655 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O 36417 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O A16303 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)O B24887 [0,2,0,0,0,0|2,0,0]=4 1658 B12R1.1005 c1c(cc(c(c1O)O)O)C(=O)[O-] B24187 [0,2,0,0,0,0|2,0,0]=4 1659 B12R1.16 CC(c1ccc(cc1)Br)N=C=O L11836 [0,2,0,0,0,0|1,0,1]=4 1660 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,2,0,0,0,0|1,0,0]=3 1661 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,2,0,0,0,0|1,0,0]=3 1662 B12R1.16 CCNC(=O)c1ccc(cc1)Br H58111 [0,2,0,0,0,0|1,0,0]=3 1663 B12R1.16 CCNC(=O)c1ccc(cc1)C H57901 [0,2,0,0,0,0|0,0,0]=2 1664 B12R1.16 CCNC(=O)c1ccc(cc1)Cl H59072 [0,2,0,0,0,0|1,0,0]=3 1665 B12R1.16 CCNC(=O)c1ccc(cc1)F H58065 [0,2,0,0,0,0|1,0,0]=3 1666 B12R1.16 CCNC(=O)c1ccc(cn1)Br H54309 [0,2,0,0,0,0|2,0,0]=4 1667 B12R1.16 CCOC(=O)c1ccc(cc1)Br A11365 [0,2,0,0,0,0|1,0,0]=3 1668 B12R1.16 CCOC(=O)c1ccc(cc1)C A10568 [0,2,0,0,0,0|0,0,0]=2 1669 B12R1.16 CCOC(=O)c1ccc(cc1)Cl A12540 [0,2,0,0,0,0|1,0,0]=3 1670 B12R1.16 CCOC(=O)c1ccc(cc1)F B21484 [0,2,0,0,0,0|1,0,0]=3 1671 B12R1.16 CCOC(=O)c1ccc(cc1)I A14570 [0,2,0,0,0,0|1,0,0]=3 1672 B12R1.16 CCOC(=O)c1ccc(cc1)N A12754 [0,2,0,0,0,0|1,0,0]=3 1673 B12R1.16 CCOC(=O)c1ccc(cc1)O A13172 [0,2,0,0,0,0|1,0,0]=3 1674 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58477 [0,2,0,0,0,0|1,0,0]=3 1675 B12R1.16 CCOC(=O)c1ccc(cc1)[Zn+] H58484 [0,2,0,0,0,0|1,0,0]=3 1676 B12R1.16 CCOC(=O)c1ccc(nc1)Cl A14723 [0,2,0,0,0,0|2,0,0]=4 1677 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O L20322 [0,2,0,0,0,0|1,0,1]=4 1678 B12R1.16 C[C@@H](c1ccc(cc1)Cl)N=C=O L20227 [0,2,0,0,0,0|1,0,1]=4 1679 B12R1.16 C[C@@H](c1ccc(cc1)F)N=C=O L20231 [0,2,0,0,0,0|1,0,1]=4 1680 B12R1.16 C[C@H](c1ccc(cc1)Cl)N=C=O L20226 [0,2,0,0,0,0|1,0,1]=4 1681 B12R1.16 C[C@H](c1ccc(cc1)F)N=C=O L20230 [0,2,0,0,0,0|1,0,1]=4 1682 B12R1.16 Cc1ccc(cc1)C(=O)CC#N A10950 [0,2,0,0,0,0|0,0,0]=2 1683 B12R1.16 c1cc(ccc1C(=O)CC#N)Cl A12364 [0,2,0,0,0,0|1,0,0]=3 1684 B12R1.16 c1cc(ccc1C(=O)CC#N)F H61988 [0,2,0,0,0,0|1,0,0]=3 1685 B12R1.16 c1cc(ccc1C(=O)CCCl)Br A13988 [0,2,0,0,0,0|1,0,0]=3 1686 B12R1.16 c1cc(ccc1C(=O)CCCl)Cl A13311 [0,2,0,0,0,0|1,0,0]=3 1687 B12R1.16 c1cc(ccc1C(=O)CCCl)F B21891 [0,2,0,0,0,0|1,0,0]=3 1688 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl A11252 [0,2,0,0,0,0|1,0,0]=3 1689 B12R1.1703 CCC(=O)c1ccc(cc1F)F A12032 [0,2,0,0,0,0|1,0,0]=3 1690 B12R1.1703 CCC(=O)c1ccc(cc1O)O B23414 [0,2,0,0,0,0|1,0,0]=3 1691 B12R1.1703 COC(=O)c1ccc(cc1Cl)Cl B20583 [0,2,0,0,0,0|1,0,0]=3 1692 B12R1.1703 COC(=O)c1ccc(cc1Cl)F A18342 [0,2,0,0,0,0|1,0,0]=3 1693 B12R1.1703 COC(=O)c1ccc(cc1F)F H32161 [0,2,0,0,0,0|1,0,0]=3 1694 B12R1.1703 COC(=O)c1ccc(cc1F)O H61675 [0,2,0,0,0,0|1,0,0]=3 1695 B12R1.1703 COC(=O)c1ccc(cc1N)Cl L11125 [0,2,0,0,0,0|1,0,0]=3 1696 B12R1.1703 COC(=O)c1ccc(cc1N)F H61749 [0,2,0,0,0,0|1,0,0]=3 1697 B12R1.1703 COC(=O)c1ccc(cc1O)F L17846 [0,2,0,0,0,0|1,0,0]=3 1698 B12R1.1703 COC(=O)c1ccc(cc1O)I B25438 [0,2,0,0,0,0|1,0,0]=3 1699 B12R1.1703 COC(=O)c1ccc(cc1O)N 45520 [0,2,0,0,0,0|1,0,0]=3 1700 B12R1.1703 COC(=O)c1ccc(cc1O)O B24757 [0,2,0,0,0,0|1,0,0]=3 1701 B12R1.1703 COC(=O)c1ccc(nc1Cl)Cl H51092 [0,2,0,0,0,0|2,0,0]=4 1702 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl H64077 [0,2,0,0,0,0|2,0,0]=4 1703 B12R1.1703 Cc1cc(ccc1C(=O)OC)F H63268 [0,2,0,0,0,0|1,0,0]=3 1704 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br H64151 [0,2,0,0,0,0|2,0,0]=4 1705 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC H63144 [0,2,0,0,0,0|0,0,0]=2 1706 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC H64793 [0,2,0,0,0,0|0,0,0]=2 1707 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr H59615 [0,2,0,0,0,0|1,0,0]=3 1708 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl A10835 [0,2,0,0,0,0|1,0,0]=3 1709 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN A12803 [0,2,0,0,0,0|2,0,0]=4 1710 B12R1.1703 c1cc(c(cc1F)F)C(=O)C=O L20266 [0,2,0,0,0,0|1,0,1]=4 1711 B12R1.1703 c1cc(c(cc1F)F)C(=O)CBr H56442 [0,2,0,0,0,0|1,0,0]=3 1712 B12R1.1703 c1cc(c(cc1F)F)C(=O)CCl B22487 [0,2,0,0,0,0|1,0,0]=3 1713 B12R1.1703 c1cc(c(cc1O)O)C(=O)NN L09918 [0,2,0,0,0,0|2,0,0]=4 1714 B12R1.57 CC(=O)c1ccc(cc1OC)F L09862 [0,2,0,0,0,0|1,0,0]=3 1715 B12R1.57 COc1cc(ccc1C(=O)O)Cl B21332 [0,2,0,0,0,0|2,0,0]=4 1716 B12R1.57 COc1cc(ccc1C(=O)O)F H26179 [0,2,0,0,0,0|2,0,0]=4 1717 B12R1.57 COc1cc(ccc1C(=O)O)N H27419 [0,2,0,0,0,0|2,0,0]=4 1718 B12R1.1000 CC(=O)c1c(cc(cc1F)Cl)F H32711 [0,2,0,0,0,0|1,0,0]=3 1719 B12R1.1000 CC(=O)c1c(cc(cc1F)F)F H26198 [0,2,0,0,0,0|1,0,0]=3 1720 B12R1.1000 CC(=O)c1c(cc(cc1O)O)O L04156 [0,2,0,0,0,0|1,0,0]=3 1721 B12R1.1000 CC1=CC(=O)C(C(=O)O1)C(=O)C A17827 [0,2,0,0,0,0|1,0,1]=4 1722 B12R1.1000 Cc1cc(c(c(=O)o1)C(=O)C)[O-] B21060 [0,2,0,0,0,0|1,0,0]=3 1723 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C A11549 [0,2,0,0,0,0|0,0,0]=2 1724 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)Cl)C A14407 [0,2,0,0,0,0|1,0,0]=3 1725 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)O)C A11831 [0,2,0,0,0,0|1,0,0]=3 1726 B12R1.1000 Cc1cc(c(c(c1)C)N(C)C)C A10561 [0,2,0,0,0,0|2,0,0]=4 1727 B12R1.1000 Cc1cc(c(c(c1)F)[N+](=O)[O-])C H27762 [0,2,0,0,0,0|2,0,0]=4 1728 B12R1.1000 Cc1cc(cc(c1C(=O)O)O)O H27556 [0,2,0,0,0,0|2,0,0]=4 1729 B12R1.1000 Cc1cc(nc(c1C(=O)C)C)C H27138 [0,2,0,0,0,0|1,0,0]=3 1730 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl L14159 [0,2,0,0,0,0|2,0,0]=4 1731 B12R1.1000 c1c(cc(c(c1Cl)C(=O)O)Cl)Cl L14191 [0,2,0,0,0,0|2,0,0]=4 1732 B12R1.1000 c1c(cc(c(c1F)C(=O)Cl)F)F B20323 [0,2,0,0,0,0|2,0,0]=4 1733 B12R1.1000 c1c(cc(c(c1F)C(=O)N)F)Br H52327 [0,2,0,0,0,0|2,0,0]=4 1734 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br H26090 [0,2,0,0,0,0|2,0,0]=4 1735 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Cl H26556 [0,2,0,0,0,0|2,0,0]=4 1736 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)F A19758 [0,2,0,0,0,0|2,0,0]=4 1737 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)O H26134 [0,2,0,0,0,0|2,0,0]=4 1738 B12R1.1000 c1c(cc(c(c1O)C(=O)O)O)O B22768 [0,2,0,0,0,0|2,0,0]=4 1739 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|0,0,2]=4 1740 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|0,0,2]=4 1741 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br H66848 [0,0,0,1,0,1|2,0,0]=4 1742 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl B21036 [0,0,0,1,0,1|2,0,0]=4 1743 B12R2.606 Cc1cc2cc(ccc2[nH]1)F H66121 [0,0,0,1,0,1|2,0,0]=4 1744 B12R2.606 Cc1cc2cc(ccc2[nH]1)N B21694 [0,0,0,1,0,1|2,0,0]=4 1745 B12R2.606 Cc1cc2cc(ccc2[nH]1)O H35580 [0,0,0,1,0,1|2,0,0]=4 1746 B12R2.606 Cc1ccc2c(c1)[nH]c(=S)o2 B20515 [0,0,0,1,0,1|1,1,0]=4 1747 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C H66874 [0,0,0,1,0,1|1,0,0]=3 1748 B12R2.606 Cc1ccc2c(c1)nc([nH]2)S A11192 [0,0,0,1,0,1|1,1,0]=4 1749 B12R2.606 Cc1ccc2c(c1)nc(o2)C B21780 [0,0,0,1,0,1|1,0,0]=3 1750 B12R2.606 Cc1ccc2c(c1)nc(s2)C A14830 [0,0,0,1,0,1|1,0,0]=3 1751 B12R2.606 Cc1ccc2c(c1)sc(n2)N B23422 [0,0,0,1,0,1|1,1,0]=4 1752 B12R2.606 Cc1nc2cc(ccc2s1)Cl H55743 [0,0,0,1,0,1|2,0,0]=4 1753 B12R2.606 Cc1nc2cc(ccc2s1)N B23631 [0,0,0,1,0,1|2,0,0]=4 1754 B12R2.606 Cc1nc2cc(ccc2s1)O H32937 [0,0,0,1,0,1|2,0,0]=4 1755 B12R2.606 Cc1nc2ccc(cc2s1)N H33249 [0,0,0,1,0,1|1,1,0]=4 1756 B12R2.606 Cc1nc2ccc(cc2s1)N H50319 [0,0,0,1,0,1|1,1,0]=4 1757 B12R2.606 Cc1nc2ccc(cc2s1)O H33812 [0,0,0,1,0,1|1,1,0]=4 1758 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 H50573 [0,0,0,1,0,1|1,0,0]=3 1759 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 H56012 [0,0,0,1,0,1|2,0,0]=4 1760 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 H33984 [0,0,0,1,0,1|2,0,0]=4 1761 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 H60385 [0,0,0,1,0,1|2,0,0]=4 1762 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 A19210 [0,0,0,1,0,1|1,0,0]=3 1763 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 A19674 [0,0,0,1,0,1|2,0,0]=4 1764 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 B24507 [0,0,0,1,0,1|2,0,0]=4 1765 B12R2.606 c1cc2c(cc1F)CC(=O)N2 H32176 [0,0,0,1,0,1|1,0,0]=3 1766 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,1,0,0|0,0,0]=2 1767 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,1,0,1,0,0|1,0,0]=3 1768 B12R2.612 c1cc2c(cc1Br)CNC2=O H52358 [0,1,0,1,0,0|1,0,0]=3 1769 B12R2.612 c1cc2c(cc1Br)COC2=O H33891 [0,1,0,1,0,0|1,0,0]=3 1770 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,1,0,1,0,0|1,0,0]=3 1771 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,1,0,1,0,0|1,0,0]=3 1772 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,1,0,1,0,0|1,0,0]=3 1773 B12R2.612 c1cc2c(cc1N)COC2=O H66457 [0,1,0,1,0,0|1,0,0]=3 1774 B12R2.612 c1cc2c(cc1O)OCC2=O L10951 [0,1,0,1,0,0|1,0,0]=3 1775 B8R1.1 CCc1ccc(s1)C B22640 [1,0,0,0,1,0|1,0,1]=4 1776 B8R1.1 Cc1ccc(o1)C=O A13264 [1,0,0,0,1,0|1,0,0]=3 1777 B8R1.1 Cc1ccc(o1)SC B21998 [1,0,0,0,1,0|2,0,0]=4 1778 B8R1.1 Cc1ccc(s1)C=O A11119 [1,0,0,0,1,0|1,0,0]=3 1779 B8R1.1 Cn1cc(cn1)C=O H54146 [1,0,0,0,1,0|2,0,0]=4 1780 B8R1.1 c1c(coc1C=O)Br H26994 [1,0,0,0,1,0|2,0,0]=4 1781 B8R1.1 c1c(csc1C=O)Br A13304 [1,0,0,0,1,0|2,0,0]=4 1782 B8R1.1 c1cc(oc1C=O)Br B22536 [1,0,0,0,1,0|2,0,0]=4 1783 B8R1.1 c1cc(oc1C=O)Cl L19971 [1,0,0,0,1,0|2,0,0]=4 1784 B8R1.1 c1cc(oc1C=O)I L19670 [1,0,0,0,1,0|2,0,0]=4 1785 B8R1.1 c1cc(sc1C=O)Br A13381 [1,0,0,0,1,0|2,0,0]=4 1786 B8R1.1 c1cc(sc1C=O)Cl B22833 [1,0,0,0,1,0|2,0,0]=4 1787 B8R1.7 CC(=C1C=CC=C1)C B21826 [1,0,0,0,1,0|1,0,0]=3 1788 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [1,0,0,0,1,0|1,0,0]=3 1789 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [1,0,0,0,1,0|1,0,0]=3 1790 B8R1.7 CC(=O)c1ccco1 A14938 [1,0,0,0,1,0|1,0,0]=3 1791 B8R1.7 CC(=O)c1cccs1 A13062 [1,0,0,0,1,0|1,0,0]=3 1792 B8R1.7 CC(=O)c1ccoc1 H34071 [1,0,0,0,1,0|1,0,0]=3 1793 B8R1.7 CC(=O)c1ccsc1 A11078 [1,0,0,0,1,0|1,0,0]=3 1794 B8R1.7 CC(=O)c1nccs1 A11266 [1,0,0,0,1,0|2,0,0]=4 1795 B8R1.7 CC(=O)n1ccnc1 L00137 [1,0,0,0,1,0|2,0,0]=4 1796 B8R1.7 c1c[nH]cc1C(=O)O H55383 [1,0,0,0,1,0|2,0,0]=4 1797 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [1,0,0,0,1,0|2,0,0]=4 1798 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [1,0,0,0,1,0|2,0,0]=4 1799 B8R1.7 c1cc(oc1)C(=O)N B25075 [1,0,0,0,1,0|2,0,0]=4 1800 B8R1.7 c1cc(oc1)C(=O)O A11454 [1,0,0,0,1,0|2,0,0]=4 1801 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [1,0,0,0,1,0|2,0,0]=4 1802 B8R1.7 c1cc(sc1)C(=O)N A15219 [1,0,0,0,1,0|2,0,0]=4 1803 B8R1.7 c1cc(sc1)C(=O)O A12514 [1,0,0,0,1,0|2,0,0]=4 1804 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [1,0,0,0,1,0|2,0,0]=4 1805 B8R1.7 c1cocc1C(=O)O L11629 [1,0,0,0,1,0|2,0,0]=4 1806 B8R1.7 c1cscc1C(=O)Cl H61428 [1,0,0,0,1,0|2,0,0]=4 1807 B8R1.7 c1cscc1C(=O)O A15712 [1,0,0,0,1,0|2,0,0]=4 1808 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,0,0,0,0,1|1,0,0]=3 1809 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [1,0,0,0,0,1|1,0,0]=3 1810 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [1,0,0,0,0,1|1,0,0]=3 1811 B10R1.18 CC(=O)Cc1ccncc1 L18667 [1,0,0,0,0,1|1,0,0]=3 1812 B10R1.18 CC(=O)Nc1ccccc1 A14361 [1,0,0,0,0,1|0,0,0]=2 1813 B10R1.18 CC(=O)Oc1ccccc1 B22561 [1,0,0,0,0,1|0,0,0]=2 1814 B10R1.18 CC(=O)Oc1ccccc1 L19598 [1,0,0,0,0,1|0,0,0]=2 1815 B10R1.18 CC(=O)Sc1ccccc1 H55175 [1,0,0,0,0,1|0,0,0]=2 1816 B10R1.18 CC(C)Nc1ccccc1 L10646 [1,0,0,0,0,1|1,0,1]=4 1817 B10R1.18 CC(C)Sc1ccccc1 A17124 [1,0,0,0,0,1|1,0,1]=4 1818 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,0,0,0,0,1|2,0,0]=4 1819 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,0,0,0,0,1|1,1,0]=4 1820 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [1,0,0,0,0,1|2,0,0]=4 1821 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [1,0,0,0,0,1|2,0,0]=4 1822 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,0,0,0,0,1|1,0,0]=3 1823 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,0,0,0,0,1|1,0,0]=3 1824 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,0,0,0,0,1|1,0,0]=3 1825 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [1,0,0,0,0,1|1,1,0]=4 1826 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [1,0,0,0,0,1|1,0,0]=3 1827 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [1,0,0,0,0,1|1,1,0]=4 1828 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [1,0,0,0,0,1|1,0,0]=3 1829 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [1,0,0,0,0,1|1,0,0]=3 1830 B10R1.18 c1ccc(cc1)OC(=S)Cl L00838 [1,0,0,0,0,1|1,1,0]=4 1831 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [1,0,0,0,0,1|2,0,0]=4 1832 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [1,0,0,0,0,1|2,0,0]=4 1833 B10R1.18 c1cnccc1CC(=O)N B24734 [1,0,0,0,0,1|2,0,0]=4 1834 B10R1.18 c1cnccc1CC(=O)O A14348 [1,0,0,0,0,1|2,0,0]=4 1835 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [0,0,0,0,0,2|1,0,0]=3 1836 B12R1.21 CC(=O)CSc1ccc(cc1)F B20094 [0,0,0,0,0,2|1,0,0]=3 1837 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl L05321 [0,0,0,0,0,2|1,0,0]=3 1838 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O A17605 [0,0,0,0,0,2|1,0,0]=3 1839 B12R1.21 Cc1ccc(cc1)CCC(=O)O A14513 [0,0,0,0,0,2|1,0,0]=3 1840 B12R1.21 Cc1ccc(cc1)COC(=O)C B22318 [0,0,0,0,0,2|0,0,0]=2 1841 B12R1.21 Cc1ccc(cc1)OCC(=O)O A13230 [0,0,0,0,0,2|1,0,0]=3 1842 B12R1.21 Cc1ccc(cc1)SCC(=O)C B20247 [0,0,0,0,0,2|0,0,0]=2 1843 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A13337 [0,0,0,0,0,2|1,0,0]=3 1844 B12R1.21 Cc1ccc(cc1)\C=C\[N+](=O)[O-] A14721 [0,0,0,0,0,2|2,0,0]=4 1845 B12R1.21 c1cc(ccc1CCC(=O)O)Br H26785 [0,0,0,0,0,2|2,0,0]=4 1846 B12R1.21 c1cc(ccc1CCC(=O)O)Cl H50204 [0,0,0,0,0,2|2,0,0]=4 1847 B12R1.21 c1cc(ccc1CCC(=O)O)F L17008 [0,0,0,0,0,2|2,0,0]=4 1848 B12R1.21 c1cc(ccc1CCC(=O)O)N L19330 [0,0,0,0,0,2|2,0,0]=4 1849 B12R1.21 c1cc(ccc1CCC(=O)O)O A14567 [0,0,0,0,0,2|2,0,0]=4 1850 B12R1.21 c1cc(ccc1CNC(=O)N)F A12865 [0,0,0,0,0,2|2,0,0]=4 1851 B12R1.21 c1cc(ccc1F)SCC(=O)O A19658 [0,0,0,0,0,2|2,0,0]=4 1852 B12R1.21 c1cc(ccc1N)SCC(=O)O A19834 [0,0,0,0,0,2|2,0,0]=4 1853 B12R1.21 c1cc(ccc1NCC(=O)O)O A16843 [0,0,0,0,0,2|2,0,0]=4 1854 B12R1.21 c1cc(ccc1O)OCC(=O)O A12940 [0,0,0,0,0,2|2,0,0]=4 1855 B12R1.21 c1cc(ccc1OCC(=O)Cl)Cl L09860 [0,0,0,0,0,2|2,0,0]=4 1856 B12R1.21 c1cc(ccc1OCC(=O)O)Br H60888 [0,0,0,0,0,2|2,0,0]=4 1857 B12R1.21 c1cc(ccc1OCC(=O)O)Cl A13065 [0,0,0,0,0,2|2,0,0]=4 1858 B12R1.21 c1cc(ccc1OCC(=O)O)F L01216 [0,0,0,0,0,2|2,0,0]=4 1859 B12R1.21 c1cc(ccc1OCC(=O)O)I L01196 [0,0,0,0,0,2|2,0,0]=4 1860 B12R1.21 c1cc(ccc1SCC(=O)O)Cl L08583 [0,0,0,0,0,2|2,0,0]=4 1861 B12R1.21 c1cc(ccc1\C=C\C(=O)N)Cl L11406 [0,0,0,0,0,2|2,0,0]=4 1862 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A11503 [0,0,0,0,0,2|2,0,0]=4 1863 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A15304 [0,0,0,0,0,2|2,0,0]=4 1864 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A16707 [0,0,0,0,0,2|2,0,0]=4 1865 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O A15167 [0,0,0,0,0,2|2,0,0]=4