0 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.13 B(c1ccc(nc1)Br)(O)O L20085 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 B(c1ccc(nc1)C)(O)O H66327 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 B(c1ccc(nc1)Cl)(O)O L20388 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.13 B(c1ccc(nc1)F)(O)O L20387 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [0,0,0,0,0,0|2,0,2]=4 15 B10R1.13 CC(C)c1ccc(cc1)I B25476 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.13 CC(C)c1ccc(cc1)N A14646 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.13 CC(C)c1ccc(cc1)O B22620 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 CC(C)c1ccc(cc1)S A16038 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 CC(c1ccc(cc1)F)N L04575 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.13 CC(c1ccc(cc1)F)O B22097 [0,0,0,0,0,0|3,0,1]=4 25 B10R1.13 CC(c1ccc(cc1)N)O L03341 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.13 CC(c1ccc(cc1)O)N H63700 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.13 CC1=CCC(CC1)C(=C)C 45805 [0,0,0,0,0,0|1,0,3]=4 28 B10R1.13 CC1=CC[C@@H](CC1)C(=C)C L04733 [0,0,0,0,0,0|1,0,3]=4 29 B10R1.13 CC1=CC[C@H](CC1)C(=C)C L13244 [0,0,0,0,0,0|1,0,3]=4 30 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [0,0,0,0,0,0|3,0,1]=4 31 B10R1.13 CN(C)c1ccc(cc1)N A10343 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.13 CN(C)c1ccc(cc1)N A14175 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.13 CN(C)c1ccc(cc1)N A15962 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [0,0,0,0,0,0|3,0,1]=4 35 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [0,0,0,0,0,0|3,0,1]=4 36 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [0,0,0,0,0,0|3,0,1]=4 40 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [0,0,0,0,0,0|3,0,1]=4 41 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [0,0,0,0,0,0|3,0,1]=4 42 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [0,0,0,0,0,0|3,0,1]=4 43 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,0,0,0,0,0|1,0,0]=1 44 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,0,0,0,0,0|2,0,0]=2 45 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [0,0,0,0,0,0|1,0,2]=3 50 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [0,0,0,0,0,0|2,0,1]=3 52 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [0,0,0,0,0,0|4,0,0]=4 53 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [0,0,0,0,0,0|2,0,1]=3 54 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [0,0,0,0,0,0|2,0,1]=3 55 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [0,0,0,0,0,0|4,0,0]=4 56 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,0,0,0,0,0|1,0,0]=1 57 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [0,0,0,0,0,0|2,0,0]=2 58 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,0,0,0,0,0|2,0,0]=2 59 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] H61750 [0,0,0,0,0,0|3,0,0]=3 60 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [0,0,0,0,0,0|3,0,0]=3 61 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [0,0,0,0,0,0|3,0,0]=3 62 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [0,0,0,0,0,0|4,0,0]=4 63 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [0,0,0,0,0,0|4,0,0]=4 65 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,0,0,0,0,0|4,0,0]=4 72 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,0,0,0,0,0|4,0,0]=4 74 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,0,0,0,0,0|4,0,0]=4 75 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,0,0,0,0,0|4,0,0]=4 77 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,0,0,0,0,0|4,0,0]=4 79 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [0,0,0,0,0,0|4,0,0]=4 92 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [0,0,0,0,0,0|3,0,0]=3 93 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [0,0,0,0,0,0|3,0,0]=3 94 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [0,0,0,0,0,0|3,0,0]=3 95 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,0,0,0,0,0|3,0,0]=3 96 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,0,0,0,0,0|3,0,0]=3 97 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,0,0,0,0,0|3,0,0]=3 98 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,0,0,0,0,0|3,0,0]=3 99 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,0,0,0,0,0|3,0,0]=3 100 B10R1.13 c1cc(ncc1C(=S)N)N H51775 [0,0,0,0,0,0|3,0,0]=3 101 B10R1.13 c1cc(ncc1C(F)F)Br H34064 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.13 c1cc(ncc1[N+](=O)[O-])Br L15661 [0,0,0,0,0,0|4,0,0]=4 103 B10R1.13 c1cc(ncc1[N+](=O)[O-])Cl A10709 [0,0,0,0,0,0|4,0,0]=4 104 B10R1.13 c1cc(ncc1[N+](=O)[O-])F H64210 [0,0,0,0,0,0|4,0,0]=4 105 B10R1.13 c1cc(ncc1[N+](=O)[O-])I H27103 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.13 c1cc(ncc1[N+](=O)[O-])N A11352 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.13 c1cc(ncc1[N+](=O)[O-])O A13921 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.1 C=Cc1ccc(cc1)Br A17896 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.1 C=Cc1ccc(cc1)Cl B20512 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.1 C=Cc1ccc(cc1)F A14775 [1,0,0,0,0,0|2,0,0]=3 111 B9R1.1 C=Cc1ccc(cc1)N L11845 [1,0,0,0,0,0|2,0,0]=3 112 B9R1.1 C=Cc1ccc(cc1)O L10902 [1,0,0,0,0,0|2,0,0]=3 113 B9R1.1 CCc1ccc(cc1)Br A13013 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.1 CCc1ccc(cc1)C L02120 [1,0,0,0,0,0|1,0,1]=3 115 B9R1.1 CCc1ccc(cc1)Cl L07931 [1,0,0,0,0,0|2,0,1]=4 116 B9R1.1 CCc1ccc(cc1)F L05940 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.1 CCc1ccc(cc1)I A14138 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.1 CCc1ccc(cc1)N B24652 [1,0,0,0,0,0|2,0,1]=4 119 B9R1.1 CCc1ccc(cc1)O B23433 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.1 CCc1ccc(cc1)S B25026 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.1 CCc1ccc(cc1)[Mg+] H54137 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.1 CCc1ccc(cc1)[Zn+] H58926 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.1 CCc1ccc(nc1)C L06901 [1,0,0,0,0,0|0,0,1]=2 124 B9R1.1 CCc1cnc(nc1)Cl H26856 [1,0,0,0,0,0|2,0,1]=4 125 B9R1.1 CNc1ccc(cc1)Br H55273 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.1 CNc1ccc(cc1)Cl B23962 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.1 CNc1ccc(cc1)F H55105 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.1 CNc1ccc(cc1)O 36674 [1,0,0,0,0,0|3,0,0]=4 129 B9R1.1 CNc1ccc(cc1)O A16236 [1,0,0,0,0,0|3,0,0]=4 130 B9R1.1 COc1ccc(cc1)Br A11824 [1,0,0,0,0,0|3,0,0]=4 131 B9R1.1 COc1ccc(cc1)Cl A11377 [1,0,0,0,0,0|3,0,0]=4 132 B9R1.1 COc1ccc(cc1)F B23048 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.1 COc1ccc(cc1)I A12144 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.1 COc1ccc(cc1)N A10946 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.1 COc1ccc(cc1)O A14845 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.1 COc1ccc(cc1)O B23530 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.1 COc1ccc(cc1)S A16009 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.1 COc1ccc(cc1)[Mg+] 89435 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.1 COc1ccc(cc1)[Mg+] H54317 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.1 COc1ccc(cc1)[Mg+] H55397 [1,0,0,0,0,0|3,0,0]=4 141 B9R1.1 COc1ccc(cc1)[Zn+] H58690 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.1 COc1ccc(nn1)Cl A14173 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.1 COc1cnc(nc1)Cl H60155 [1,0,0,0,0,0|3,0,0]=4 144 B9R1.1 COc1cnc(nc1)N H66799 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.1 CSc1ccc(cc1)Br A15504 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.1 CSc1ccc(cc1)Cl A11025 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.1 CSc1ccc(cc1)F L04979 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.1 CSc1ccc(cc1)N L04950 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.1 CSc1ccc(cc1)O H26225 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.1 CSc1ccc(cc1)S L09580 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.1 CSc1ccc(cc1)[Zn+] H58137 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.1 Cc1ccc(cc1)C#C B24812 [1,0,0,0,0,0|1,0,2]=4 153 B9R1.1 Cc1ccc(cc1)C#N B23029 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.1 Cc1ccc(cc1)C=C L01480 [1,0,0,0,0,0|1,0,0]=2 155 B9R1.1 Cc1ccc(cc1)C=O A11384 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.1 Cc1ccc(cc1)CBr A13297 [1,0,0,0,0,0|2,0,1]=4 157 B9R1.1 Cc1ccc(cc1)CCl A17183 [1,0,0,0,0,0|2,0,1]=4 158 B9R1.1 Cc1ccc(cc1)CN A13768 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.1 Cc1ccc(cc1)CO A15315 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.1 Cc1ccc(cc1)CS A10467 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.1 Cc1ccc(cc1)C[Mg+] H54505 [1,0,0,0,0,0|2,0,1]=4 162 B9R1.1 Cc1ccc(cc1)NN A14220 [1,0,0,0,0,0|3,0,0]=4 163 B9R1.1 Cc1ccc(cc1)OC A11572 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.1 Cc1ccc(cc1)SC L02933 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.1 Cc1ccc(cn1)C#N L09875 [1,0,0,0,0,0|1,0,1]=3 166 B9R1.1 Cc1ccc(cn1)C=O H66926 [1,0,0,0,0,0|1,0,0]=2 167 B9R1.1 c1c(cnc(n1)N)C=O H54440 [1,0,0,0,0,0|3,0,0]=4 168 B9R1.1 c1cc(ccc1C=O)Br A14237 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.1 c1cc(ccc1C=O)Cl A12757 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.1 c1cc(ccc1C=O)F A15383 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.1 c1cc(ccc1C=O)I L17448 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.1 c1cc(ccc1C=O)O A13580 [1,0,0,0,0,0|3,0,0]=4 173 B9R1.1 c1cc(ncc1C#N)Br H66177 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.1 c1cc(ncc1C#N)Cl A13291 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.1 c1cc(ncc1C#N)F H64278 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.1 c1cc(ncc1C#N)N L19282 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.1 c1cc(ncc1C=O)Br H63867 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.1 c1cc(ncc1C=O)Cl H55550 [1,0,0,0,0,0|2,0,0]=3 179 B9R1.1 c1cc(ncc1CCl)Cl L19284 [1,0,0,0,0,0|2,0,1]=4 180 B9R1.1 c1cc(ncc1CN)Cl L19283 [1,0,0,0,0,0|2,0,1]=4 181 B9R1.1 c1cc(ncc1CO)Br H61375 [1,0,0,0,0,0|2,0,1]=4 182 B9R1.1 c1cc(ncc1CO)Cl L19285 [1,0,0,0,0,0|2,0,1]=4 183 B9R1.1 c1cc(ncc1CO)N H33416 [1,0,0,0,0,0|2,0,1]=4 184 B9R1.6 B(c1cccnc1)(O)O L15040 [1,0,0,0,0,0|3,0,0]=4 185 B9R1.6 CC(=C)c1ccccc1 L03609 [1,0,0,0,0,0|1,0,0]=2 186 B9R1.6 CC(=O)c1ccccc1 A12727 [1,0,0,0,0,0|2,0,0]=3 187 B9R1.6 CC(=O)c1ccccn1 A12688 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.6 CC(=O)c1cccnc1 A14246 [1,0,0,0,0,0|1,0,0]=2 189 B9R1.6 CC(=O)c1ccncc1 A12015 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.6 CC(=O)c1ccnnc1 H66461 [1,0,0,0,0,0|2,0,0]=3 191 B9R1.6 CC(=O)c1cnccn1 A15917 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.6 CC(C)c1ccccc1 A11864 [1,0,0,0,0,0|1,0,2]=4 193 B9R1.6 CC(C)c1cnccn1 A13891 [1,0,0,0,0,0|1,0,2]=4 194 B9R1.6 CC(c1ccccc1)Br A16839 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.6 CC(c1ccccc1)N A15711 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.6 CC(c1ccccc1)O A13837 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.6 CC(c1ccccc1)S H26345 [1,0,0,0,0,0|2,0,1]=4 198 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [1,0,0,0,0,0|2,0,1]=4 199 B9R1.6 CC(c1cccnc1)N H26047 [1,0,0,0,0,0|1,0,1]=3 200 B9R1.6 CN(C)c1ccccc1 A11916 [1,0,0,0,0,0|2,0,1]=4 201 B9R1.6 CN(c1ccccc1)N B22440 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.6 CP(C)c1ccccc1 A17975 [1,0,0,0,0,0|2,0,1]=4 203 B9R1.6 CS(=O)c1ccccc1 A15009 [1,0,0,0,0,0|3,0,0]=4 204 B9R1.6 C[C@@H](c1ccccc1)N A12632 [1,0,0,0,0,0|2,0,1]=4 205 B9R1.6 C[C@@H](c1ccccc1)N L19118 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.6 C[C@@H](c1ccccc1)O B21188 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.6 C[C@H](c1ccccc1)N A10967 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.6 C[C@H](c1ccccc1)N L19117 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.6 C[C@H](c1ccccc1)O L19296 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.6 C[SiH](C)c1ccccc1 L04558 [1,0,0,0,0,0|1,1,1]=4 211 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [1,0,0,0,0,0|3,0,0]=4 212 B9R1.6 c1c(cncn1)C(=O)O H61406 [1,0,0,0,0,0|3,0,0]=4 213 B9R1.6 c1cc(cnc1)C(=N)N B20406 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.6 c1cc(cnc1)C(=O)N A15970 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.6 c1cc(cnc1)C(=O)O A12683 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [1,0,0,0,0,0|2,0,0]=3 218 B9R1.6 c1cc(cnc1)C(=S)N A11144 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.6 c1cc(cnc1)C(F)F H33189 [1,0,0,0,0,0|2,0,1]=4 220 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.6 c1cc(nnc1)C(=O)O H34341 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.6 c1ccc(cc1)C(=N)N A16002 [1,0,0,0,0,0|3,0,0]=4 223 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [1,0,0,0,0,0|3,0,0]=4 224 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.6 c1ccc(cc1)C(=O)F L11464 [1,0,0,0,0,0|3,0,0]=4 226 B9R1.6 c1ccc(cc1)C(=O)N A10501 [1,0,0,0,0,0|3,0,0]=4 227 B9R1.6 c1ccc(cc1)C(=O)O 36230 [1,0,0,0,0,0|3,0,0]=4 228 B9R1.6 c1ccc(cc1)C(=O)O A14062 [1,0,0,0,0,0|3,0,0]=4 229 B9R1.6 c1ccc(cc1)C(=O)O H25864 [1,0,0,0,0,0|3,0,0]=4 230 B9R1.6 c1ccc(cc1)C(=O)O L19473 [1,0,0,0,0,0|3,0,0]=4 231 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [1,0,0,0,0,0|3,0,0]=4 234 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [1,0,0,0,0,0|3,0,0]=4 238 B9R1.6 c1ccc(cc1)C(=S)N A12973 [1,0,0,0,0,0|3,0,0]=4 239 B9R1.6 c1ccc(cc1)C(=S)O B24458 [1,0,0,0,0,0|3,0,0]=4 240 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [1,0,0,0,0,0|3,0,0]=4 241 B9R1.6 c1cnc(cn1)C(=O)Cl H50418 [1,0,0,0,0,0|3,0,0]=4 242 B9R1.6 c1cnc(cn1)C(=O)O A13363 [1,0,0,0,0,0|3,0,0]=4 243 B9R1.6 c1cnc(cn1)C(=S)N H26750 [1,0,0,0,0,0|3,0,0]=4 244 B9R1.6 c1cnncc1C(=O)O H27246 [1,0,0,0,0,0|3,0,0]=4 245 B11R1.3 B(c1ccc(nc1)CO)(O)O H53319 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.3 B(c1ccc(nc1)OC)(O)O H52532 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.3 B(c1ccc(nc1)OC)(O)O L20087 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.3 B(c1ccc(nc1)SC)(O)O H27873 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.3 CC(=O)c1ccc(cc1)C#N A14271 [0,1,0,0,0,0|2,0,1]=4 250 B11R1.3 CC(=O)c1ccc(cc1)NC H55301 [0,1,0,0,0,0|2,0,0]=3 251 B11R1.3 CC(=O)c1ccc(cc1)OC A11162 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.3 CC(=O)c1ccc(cc1)SC L18074 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.3 CC(C)c1ccc(cc1)CCl L11839 [0,1,0,0,0,0|1,0,2]=4 254 B11R1.3 CC(C)c1ccc(cc1)CN H54044 [0,1,0,0,0,0|1,0,2]=4 255 B11R1.3 CC(C)c1ccc(cc1)CO A12172 [0,1,0,0,0,0|1,0,2]=4 256 B11R1.3 CC(C)c1ccc(cc1)OC A16970 [0,1,0,0,0,0|1,0,2]=4 257 B11R1.3 CC(c1ccc(cc1)OC)O L12062 [0,1,0,0,0,0|2,0,1]=4 258 B11R1.3 CCc1ccc(cc1)C(=O)C B21557 [0,1,0,0,0,0|2,0,0]=3 259 B11R1.3 CCc1ccc(cc1)C(=O)Cl A11698 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.3 CCc1ccc(cc1)C(=O)N L08339 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.3 CCc1ccc(cc1)C(=O)O A10235 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.3 CCc1ccc(cc1)C(=S)N H52265 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.3 CNc1ccc(cc1)C(=O)O A12426 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.3 COc1ccc(cc1)C(=O)Cl L13120 [0,1,0,0,0,0|3,0,0]=4 265 B11R1.3 COc1ccc(cc1)C(=O)N B22614 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.3 COc1ccc(cc1)C(=O)O A15697 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.3 COc1ccc(cc1)C(=S)N L10945 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.3 COc1cnc(cn1)C(=O)O H66826 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.3 CSc1ccc(cc1)C(=O)O B25706 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.3 CSc1ccc(cc1)C(=S)N H51848 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.3 C[C@@H](c1ccc(cc1)OC)N L16322 [0,1,0,0,0,0|2,0,1]=4 272 B11R1.3 C[C@H](c1ccc(cc1)OC)N L16321 [0,1,0,0,0,0|2,0,1]=4 273 B11R1.3 c1cc(ccc1CBr)C(=O)Br H37682 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.3 c1cc(ccc1CBr)C(=O)O L03371 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.3 c1cc(ccc1CCl)C(=O)O B22275 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.3 c1cc(ccc1CN)C(=O)O B23519 [0,1,0,0,0,0|3,0,0]=4 277 B11R1.3 c1cc(ccc1CO)C(=O)O B22183 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.3 c1cc(ncc1C(=O)O)C#N L17127 [0,1,0,0,0,0|2,0,1]=4 279 B11R1.19 Cc1ccc(cc1)C(C)(C)C A18214 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.19 Cc1ccc(cc1)C(C)(C)N H66232 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.19 Cc1ccc(cc1)S(=O)(=O)C A11531 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.19 Cc1ccc(cc1)[Si](C)(C)C A17884 [0,1,0,0,0,0|1,1,1]=4 283 B11R1.21 CC(=O)c1ccc(c(c1)Br)F B22091 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl A13568 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F A15158 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.21 CC(=O)c1ccc(c(c1)F)Br H62040 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl H26373 [0,1,0,0,0,0|3,0,0]=4 288 B11R1.21 CC(=O)c1ccc(c(c1)F)F A15832 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.21 CC(=O)c1ccc(c(c1)F)O L19892 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.21 CC(=O)c1ccc(c(c1)O)F H32965 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.21 Cc1cc(ccc1Cl)C(=O)C L06011 [0,1,0,0,0,0|3,0,0]=4 292 B11R1.21 Cc1cc(ccc1F)C(=O)C H32499 [0,1,0,0,0,0|3,0,0]=4 293 B11R1.21 Cc1cc(ccc1O)C(=O)C A18540 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.21 Cc1ccc(cc1Br)C(=O)O A11496 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.21 Cc1ccc(cc1C)C(=O)C A12187 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.21 Cc1ccc(cc1C)C(=O)N A11995 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.21 Cc1ccc(cc1C)C(=O)O A19260 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.21 Cc1ccc(cc1C)C(=S)N H51793 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.21 Cc1ccc(cc1Cl)C(=O)O B21228 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.21 Cc1ccc(cc1F)C(=O)C B24108 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.21 Cc1ccc(cc1F)C(=O)Cl B22846 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.21 Cc1ccc(cc1F)C(=O)O A12981 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.21 Cc1ccc(cc1F)C(=S)N H26479 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.21 Cc1ccc(cc1I)C(=O)O A14197 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.21 Cc1ccc(cc1N)C(=O)N B25367 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.21 Cc1ccc(cc1N)C(=O)O A12674 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.21 Cc1ccc(cc1O)C(=O)O B21501 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.21 c1c(cnc(c1Br)Cl)C(=O)O H32384 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.21 c1c(cnc(c1Cl)Cl)C(=O)O B25586 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.21 c1c(cnc(c1Cl)O)C(=O)O A15737 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [0,1,0,0,0,0|3,0,0]=4 316 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.22 COC(=O)c1ccc(=O)oc1 B25330 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.22 COC(=O)c1ccc(cc1)Br A15517 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.22 COC(=O)c1ccc(cc1)Cl A10109 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.22 COC(=O)c1ccc(cc1)F B21504 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.22 COC(=O)c1ccc(cc1)I A19342 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.22 COC(=O)c1ccc(cc1)N A11715 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.22 COC(=O)c1ccc(cc1)O A14289 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.22 COC(=O)c1ccc(nc1)Cl A10396 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.22 COC(=O)c1ccc(nc1)F H61302 [0,1,0,0,0,0|2,0,0]=3 327 B11R1.22 COC(=O)c1ccc(nc1)N H27575 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.22 COC(=O)c1cnc(cn1)Br H66706 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.22 COC(=O)c1cnc(cn1)Cl H66306 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.22 Cc1ccc(cc1)C(=O)CBr B25217 [0,1,0,0,0,0|2,0,0]=3 331 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [0,1,0,0,0,0|2,0,0]=3 332 B11R1.22 Cc1ccc(cc1)C(=O)NN A12604 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.22 Cc1ccc(cc1)C(=O)OC B23111 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.22 Cc1ccc(cc1)\C(=N\O)\N H51704 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.22 Cc1ccc(cn1)C(=O)OC L12276 [0,1,0,0,0,0|1,0,0]=2 336 B11R1.22 c1cc(ccc1C(=O)C=O)F L20272 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.22 c1cc(ccc1C(=O)CBr)Br A13687 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.22 c1cc(ccc1C(=O)CBr)Cl A12607 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.22 c1cc(ccc1C(=O)CBr)F A15319 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.22 c1cc(ccc1C(=O)CCl)Cl A15954 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.22 c1cc(ccc1C(=O)CCl)F B22188 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.22 c1cc(ncc1\C(=N\O)\N)N H51720 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.166 CC(=O)c1ccc(cc1Br)Br H61181 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.166 CC(=O)c1ccc(cc1Br)F L19320 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl A14428 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.166 CC(=O)c1ccc(cc1Cl)F L19880 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.166 CC(=O)c1ccc(cc1F)Br H62127 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.166 CC(=O)c1ccc(cc1F)F A13420 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.166 CC(=O)c1ccc(cc1F)O A19884 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.166 CC(=O)c1ccc(cc1O)Br H61137 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.166 CC(=O)c1ccc(cc1O)Cl H27309 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.166 CC(=O)c1ccc(cc1O)F A16030 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.166 CC(=O)c1ccc(cc1O)O A12066 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.166 Cc1c(cnc(n1)N)C(=O)C B20262 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.166 Cc1cc(c(cn1)C(=O)O)O H66499 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.166 Cc1cc(ccc1C(=O)C)F H26823 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O H60413 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.166 Cc1ccc(c(c1)C)C(=O)C A12992 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl H50387 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.166 Cc1ccc(c(c1)C)C(=O)O A10589 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.166 Cc1ccc(c(c1)C)C(C)O H32141 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.166 Cc1ccc(c(c1)F)C(=O)C H26695 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.166 Cc1ccc(c(c1)F)C(=O)Cl H31292 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.166 Cc1ccc(c(c1)F)C(=O)O H26688 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.166 Cc1ccc(c(c1)O)C(=O)O L03367 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.166 Cc1ccc(c(c1)O)C(C)C A14563 [0,1,0,0,0,0|1,0,2]=4 368 B11R1.166 Cc1ccc(c(n1)Br)[N+](=O)[O-] H64982 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)Cl H25878 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O A13857 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.166 Cc1ccc(c(n1)F)[N+](=O)[O-] H64103 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] H61729 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.166 Cc1ccc(c(n1)O)C(=O)O A11842 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.166 Cc1ccc(c(n1)O)C(=S)N H52239 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl H61381 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl L20002 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.166 c1cc(nc(c1C(=O)O)F)Cl H66484 [0,1,0,0,0,0|3,0,0]=4 378 B9R1.35 CC(=O)c1cc(cs1)Cl H30384 [0,0,0,0,1,0|3,0,0]=4 379 B9R1.35 CC(=O)c1ccc(s1)Br A14826 [0,0,0,0,1,0|3,0,0]=4 380 B9R1.35 CC(=O)c1ccc(s1)Cl A11850 [0,0,0,0,1,0|3,0,0]=4 381 B9R1.35 CC(=O)c1ccc(s1)I L17852 [0,0,0,0,1,0|3,0,0]=4 382 B9R1.35 CC1=CC(=CC1)C(C)C L19126 [0,0,0,0,1,0|0,0,3]=4 383 B9R1.35 Cc1cc([nH]n1)C(=O)O H59899 [0,0,0,0,1,0|3,0,0]=4 384 B9R1.35 Cc1cc(on1)C(=O)O H63740 [0,0,0,0,1,0|3,0,0]=4 385 B9R1.35 Cc1cc(sc1)C(=O)C L17617 [0,0,0,0,1,0|2,0,0]=3 386 B9R1.35 Cc1ccc(o1)C(=O)C A16172 [0,0,0,0,1,0|2,0,0]=3 387 B9R1.35 Cc1ccc(o1)C(=O)Cl H27697 [0,0,0,0,1,0|3,0,0]=4 388 B9R1.35 Cc1ccc(s1)C(=O)C A11282 [0,0,0,0,1,0|2,0,0]=3 389 B9R1.35 Cc1ccc(s1)C(=O)O A17737 [0,0,0,0,1,0|3,0,0]=4 390 B9R1.35 Cc1ccn(n1)C(=O)N A14584 [0,0,0,0,1,0|3,0,0]=4 391 B9R1.35 Cc1csc(n1)C(=O)O H63065 [0,0,0,0,1,0|3,0,0]=4 392 B9R1.35 Cc1csc(n1)C(C)C A13532 [0,0,0,0,1,0|1,0,2]=4 393 B9R1.35 Cn1ccc(n1)C(=O)O H50317 [0,0,0,0,1,0|3,0,0]=4 394 B11R1.20 CC(=O)Cc1ccc(cc1)Br A19028 [0,0,0,0,0,1|3,0,0]=4 395 B11R1.20 CC(=O)Cc1ccc(cc1)F L11720 [0,0,0,0,0,1|3,0,0]=4 396 B11R1.20 CC(=O)Cc1ccc(cc1)O A18936 [0,0,0,0,0,1|3,0,0]=4 397 B11R1.20 CC(=O)Nc1ccc(cc1)Br L02924 [0,0,0,0,0,1|3,0,0]=4 398 B11R1.20 CC(=O)Nc1ccc(cc1)Cl A11214 [0,0,0,0,0,1|3,0,0]=4 399 B11R1.20 CC(=O)Nc1ccc(cc1)F A18974 [0,0,0,0,0,1|3,0,0]=4 400 B11R1.20 CC(=O)Nc1ccc(cc1)N A13937 [0,0,0,0,0,1|3,0,0]=4 401 B11R1.20 CC(=O)Nc1ccc(cc1)N B20740 [0,0,0,0,0,1|3,0,0]=4 402 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [0,0,0,0,0,1|3,0,0]=4 403 B11R1.20 CC(=O)Nc1ccc(cc1)S B23932 [0,0,0,0,0,1|3,0,0]=4 404 B11R1.20 CC(=O)Oc1ccc(cc1)F B21356 [0,0,0,0,0,1|3,0,0]=4 405 B11R1.20 Cc1ccc(cc1)CC(=O)C B24728 [0,0,0,0,0,1|2,0,0]=3 406 B11R1.20 Cc1ccc(cc1)CC(=O)Cl H37997 [0,0,0,0,0,1|3,0,0]=4 407 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,0,0,0,0,1|3,0,0]=4 408 B11R1.20 Cc1ccc(cc1)CC(=S)N H26278 [0,0,0,0,0,1|3,0,0]=4 409 B11R1.20 Cc1ccc(cc1)NC(=O)C A13721 [0,0,0,0,0,1|2,0,0]=3 410 B11R1.20 Cc1ccc(cc1)NC(=O)N A11150 [0,0,0,0,0,1|3,0,0]=4 411 B11R1.20 Cc1ccc(cc1)NC(=S)N A11098 [0,0,0,0,0,1|3,0,0]=4 412 B11R1.20 Cc1ccc(cc1)OC(=S)Cl B23501 [0,0,0,0,0,1|3,0,0]=4 413 B11R1.20 c1cc(ncc1CC(=O)O)Cl H27966 [0,0,0,0,0,1|3,0,0]=4 414 B11R1.20 c1cc(ncc1NC(=S)N)Br H34038 [0,0,0,0,0,1|3,0,0]=4 415 B11R1.20 c1cc(ncc1NC(=S)N)Cl H33053 [0,0,0,0,0,1|3,0,0]=4 416 B8R0.28 CC(=C\C=C\C(=O)C)C L09169 [1,0,1,0,0,0|1,0,1]=4 417 B8R1.2 C#Cc1cccnc1 H53465 [2,0,0,0,0,0|0,0,2]=4 418 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|1,0,0]=3 419 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|1,0,0]=3 420 B8R1.2 C=Cc1ccccn1 A14056 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.2 C=Cc1ccncc1 H36621 [2,0,0,0,0,0|2,0,0]=4 422 B8R1.2 C=Cc1ccncc1 L13316 [2,0,0,0,0,0|2,0,0]=4 423 B8R1.2 C=Cc1cnccn1 A14007 [2,0,0,0,0,0|1,0,0]=3 424 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|1,0,1]=4 425 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|0,0,1]=3 426 B8R1.2 CCc1cnccn1 A12759 [2,0,0,0,0,0|1,0,1]=4 427 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|2,0,0]=4 428 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|1,0,0]=3 429 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|2,0,0]=4 430 B8R1.2 COc1cnccn1 A10297 [2,0,0,0,0,0|2,0,0]=4 431 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|2,0,0]=4 432 B8R1.2 CSc1cnccn1 B25279 [2,0,0,0,0,0|2,0,0]=4 433 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|2,0,0]=4 434 B8R1.2 c1c(cncn1)C=O H54448 [2,0,0,0,0,0|2,0,0]=4 435 B8R1.2 c1cc(cnc1)C#N A14850 [2,0,0,0,0,0|1,0,1]=4 436 B8R1.2 c1cc(cnc1)C=O A14607 [2,0,0,0,0,0|1,0,0]=3 437 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|1,0,1]=4 438 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|1,0,1]=4 439 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|1,0,1]=4 440 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|2,0,0]=4 441 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.3 Cc1ccc(=O)[nH]n1 A14471 [2,0,0,0,0,0|2,0,0]=4 444 B8R1.3 Cc1ccc(cc1)Br A15843 [2,0,0,0,0,0|2,0,0]=4 445 B8R1.3 Cc1ccc(cc1)C A10534 [2,0,0,0,0,0|1,0,0]=3 446 B8R1.3 Cc1ccc(cc1)Cl L04672 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.3 Cc1ccc(cc1)F A10365 [2,0,0,0,0,0|2,0,0]=4 448 B8R1.3 Cc1ccc(cc1)I A15631 [2,0,0,0,0,0|2,0,0]=4 449 B8R1.3 Cc1ccc(cc1)N A13698 [2,0,0,0,0,0|2,0,0]=4 450 B8R1.3 Cc1ccc(cc1)O A13531 [2,0,0,0,0,0|2,0,0]=4 451 B8R1.3 Cc1ccc(cc1)S B24970 [2,0,0,0,0,0|2,0,0]=4 452 B8R1.3 Cc1ccc(cc1)[S-] H55095 [2,0,0,0,0,0|2,0,0]=4 453 B8R1.3 Cc1ccc(cc1)[Zn+] H58338 [2,0,0,0,0,0|2,0,0]=4 454 B8R1.3 Cc1ccc(cn1)Br H27085 [2,0,0,0,0,0|1,0,0]=3 455 B8R1.3 Cc1ccc(cn1)N H27431 [2,0,0,0,0,0|1,0,0]=3 456 B8R1.3 Cc1ccc(cn1)O B25014 [2,0,0,0,0,0|1,0,0]=3 457 B8R1.3 Cc1ccc(cn1)[Zn+] H58043 [2,0,0,0,0,0|1,0,0]=3 458 B8R1.3 Cc1ccc(nc1)Br B25083 [2,0,0,0,0,0|1,0,0]=3 459 B8R1.3 Cc1ccc(nc1)Cl H59145 [2,0,0,0,0,0|1,0,0]=3 460 B8R1.3 Cc1ccc(nc1)F L12241 [2,0,0,0,0,0|1,0,0]=3 461 B8R1.3 Cc1ccc(nc1)N A13330 [2,0,0,0,0,0|1,0,0]=3 462 B8R1.3 Cc1ccc(nc1)O L19528 [2,0,0,0,0,0|1,0,0]=3 463 B8R1.3 Cc1ccc(nc1)[Zn+] H58645 [2,0,0,0,0,0|1,0,0]=3 464 B8R1.3 Cc1ccc(nn1)Cl A13480 [2,0,0,0,0,0|2,0,0]=4 465 B8R1.3 Cc1cnc(cn1)C A12352 [2,0,0,0,0,0|1,0,0]=3 466 B8R1.3 Cc1cnc(cn1)N H61286 [2,0,0,0,0,0|2,0,0]=4 467 B8R1.3 Cc1cnc(nc1)Br H66877 [2,0,0,0,0,0|2,0,0]=4 468 B8R1.3 Cc1cnc(nc1)Cl H64773 [2,0,0,0,0,0|2,0,0]=4 469 B8R1.3 Cc1ncc(cn1)Br H66467 [2,0,0,0,0,0|2,0,0]=4 470 B8R1.3 c1cc(ncc1Br)Br A10937 [2,0,0,0,0,0|2,0,0]=4 471 B8R1.3 c1cc(ncc1Br)Cl B24862 [2,0,0,0,0,0|2,0,0]=4 472 B8R1.3 c1cc(ncc1Br)F L19537 [2,0,0,0,0,0|2,0,0]=4 473 B8R1.3 c1cc(ncc1Br)I L19610 [2,0,0,0,0,0|2,0,0]=4 474 B8R1.3 c1cc(ncc1Br)N A14280 [2,0,0,0,0,0|2,0,0]=4 475 B8R1.3 c1cc(ncc1Br)O B25267 [2,0,0,0,0,0|2,0,0]=4 476 B8R1.3 c1cc(ncc1Cl)Br H64367 [2,0,0,0,0,0|2,0,0]=4 477 B8R1.3 c1cc(ncc1Cl)Cl A15442 [2,0,0,0,0,0|2,0,0]=4 478 B8R1.3 c1cc(ncc1Cl)F H26945 [2,0,0,0,0,0|2,0,0]=4 479 B8R1.3 c1cc(ncc1Cl)I H64339 [2,0,0,0,0,0|2,0,0]=4 480 B8R1.3 c1cc(ncc1Cl)N A12063 [2,0,0,0,0,0|2,0,0]=4 481 B8R1.3 c1cc(ncc1Cl)O A11914 [2,0,0,0,0,0|2,0,0]=4 482 B8R1.3 c1cc(ncc1F)Br L19536 [2,0,0,0,0,0|2,0,0]=4 483 B8R1.3 c1cc(ncc1F)Cl H27462 [2,0,0,0,0,0|2,0,0]=4 484 B8R1.3 c1cc(ncc1F)F H31130 [2,0,0,0,0,0|2,0,0]=4 485 B8R1.3 c1cc(ncc1F)N L20010 [2,0,0,0,0,0|2,0,0]=4 486 B8R1.3 c1cc(ncc1I)Br L20016 [2,0,0,0,0,0|2,0,0]=4 487 B8R1.3 c1cc(ncc1I)Cl B25271 [2,0,0,0,0,0|2,0,0]=4 488 B8R1.3 c1cc(ncc1I)F L20041 [2,0,0,0,0,0|2,0,0]=4 489 B8R1.3 c1cc(ncc1I)I L20118 [2,0,0,0,0,0|2,0,0]=4 490 B8R1.3 c1cc(ncc1I)N B25175 [2,0,0,0,0,0|2,0,0]=4 491 B8R1.3 c1cc(ncc1I)O L20044 [2,0,0,0,0,0|2,0,0]=4 492 B8R1.3 c1cc(ncc1N)Br L20008 [2,0,0,0,0,0|2,0,0]=4 493 B8R1.3 c1cc(ncc1N)Cl B25336 [2,0,0,0,0,0|2,0,0]=4 494 B8R1.3 c1cc(ncc1N)F H30872 [2,0,0,0,0,0|2,0,0]=4 495 B8R1.3 c1cc(ncc1N)I H27793 [2,0,0,0,0,0|2,0,0]=4 496 B8R1.3 c1cc(ncc1N)N L05599 [2,0,0,0,0,0|2,0,0]=4 497 B8R1.3 c1cc(ncc1N)O H27961 [2,0,0,0,0,0|2,0,0]=4 498 B8R1.3 c1cc(ncc1O)Br H27228 [2,0,0,0,0,0|2,0,0]=4 499 B8R1.3 c1cc(ncc1O)Cl L17701 [2,0,0,0,0,0|2,0,0]=4 500 B8R1.3 c1cc(ncc1O)F H27741 [2,0,0,0,0,0|2,0,0]=4 501 B8R1.3 c1cc(ncc1[Zn+])Cl H58537 [2,0,0,0,0,0|2,0,0]=4 502 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.3 C=Cc1ccc(cc1)C#N B24395 [1,1,0,0,0,0|1,0,1]=4 504 B10R1.3 CCc1ccc(cc1)C=O B20645 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.3 CCc1ccc(cc1)CC A13343 [1,1,0,0,0,0|1,0,1]=4 506 B10R1.3 CCc1ccc(cc1)CCl H27900 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.3 CCc1ccc(cc1)CO H30459 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.3 CCc1ccc(cc1)OC A10391 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.3 CNc1ccc(cc1)OC H65272 [1,1,0,0,0,0|2,0,0]=4 510 B10R1.3 COc1ccc(cc1)C=C B22353 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.3 COc1ccc(cc1)C=O A15364 [1,1,0,0,0,0|2,0,0]=4 512 B10R1.3 COc1ccc(cc1)CN A14999 [1,1,0,0,0,0|2,0,0]=4 513 B10R1.3 COc1ccc(cc1)CO A15559 [1,1,0,0,0,0|2,0,0]=4 514 B10R1.3 COc1ccc(cc1)CS B22542 [1,1,0,0,0,0|2,0,0]=4 515 B10R1.3 COc1ccc(cc1)C[Mg+] H54078 [1,1,0,0,0,0|2,0,0]=4 516 B10R1.3 COc1ccc(cc1)OC A12822 [1,1,0,0,0,0|2,0,0]=4 517 B10R1.3 COc1ccc(cn1)C=O H26515 [1,1,0,0,0,0|1,0,0]=3 518 B10R1.3 CSc1ccc(cc1)C=O B25427 [1,1,0,0,0,0|2,0,0]=4 519 B10R1.3 CSc1ccc(cc1)CCl L19877 [1,1,0,0,0,0|2,0,0]=4 520 B10R1.3 CSc1ccc(cc1)CO B22455 [1,1,0,0,0,0|2,0,0]=4 521 B10R1.25 CCc1c(nc(cn1)C)C H27383 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.25 CCc1ccc(nc1N)C A19048 [1,1,0,0,0,0|0,0,1]=3 523 B10R1.25 Cc1ccc(c(c1)Br)C=O H27558 [1,1,0,0,0,0|2,0,0]=4 524 B10R1.25 Cc1ccc(c(c1)C)C=C A14286 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.25 Cc1ccc(c(c1)C)C=O A14655 [1,1,0,0,0,0|2,0,0]=4 526 B10R1.25 Cc1ccc(c(c1)F)C=O H26626 [1,1,0,0,0,0|2,0,0]=4 527 B10R1.25 Cc1ccc(c(c1)F)OC H26194 [1,1,0,0,0,0|2,0,0]=4 528 B10R1.25 Cc1ccc(c(c1)O)C=O H33909 [1,1,0,0,0,0|2,0,0]=4 529 B10R1.25 Cc1ccc(c(c1)O)OC L09044 [1,1,0,0,0,0|2,0,0]=4 530 B10R1.25 Cc1ccc(c(n1)Cl)C#N A15648 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.25 c1cc(nc(c1C=O)F)F H64422 [1,1,0,0,0,0|2,0,0]=4 532 B10R1.176 Cc1ccc(cc1C)C=O A15388 [1,1,0,0,0,0|2,0,0]=4 533 B10R1.176 Cc1ccc(cc1C)OC B22735 [1,1,0,0,0,0|2,0,0]=4 534 B10R1.176 Cc1ccc(cc1Cl)OC H27401 [1,1,0,0,0,0|2,0,0]=4 535 B10R1.176 Cc1ccc(cc1F)C=O B23736 [1,1,0,0,0,0|2,0,0]=4 536 B10R1.176 Cc1ccc(cc1F)OC H32472 [1,1,0,0,0,0|2,0,0]=4 537 B10R1.176 Cc1ccc(cc1N)OC H60177 [1,1,0,0,0,0|2,0,0]=4 538 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,1,0,0,0,0|2,0,0]=4 540 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,1,0,0,0,0|1,0,0]=3 541 B10R1.15 CN(C=O)c1ccccc1 A11829 [1,1,0,0,0,0|2,0,0]=4 542 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,1,0,0,0,0|2,0,0]=4 543 B10R1.15 COC(=O)c1ccccc1 44368 [1,1,0,0,0,0|2,0,0]=4 544 B10R1.15 COC(=O)c1ccccc1 A12404 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.15 COC(=O)c1cccnc1 B23908 [1,1,0,0,0,0|1,0,0]=3 546 B10R1.15 COC(=O)c1ccnnc1 H27449 [1,1,0,0,0,0|2,0,0]=4 547 B10R1.15 COC(=O)c1cnccn1 A12028 [1,1,0,0,0,0|2,0,0]=4 548 B10R1.15 CSC(=N)c1cccnc1 H51776 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [1,1,0,0,0,0|2,0,0]=4 550 B10R1.15 C\C(=N/O)\c1cccnc1 H52154 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.15 c1cc(cnc1)C(=O)NN L02059 [1,1,0,0,0,0|2,0,0]=4 552 B10R1.15 c1cc(cnc1)C(=O)[NH2+][O-] H61292 [1,1,0,0,0,0|2,0,0]=4 553 B10R1.15 c1cc(cnc1)\C(=N\O)\N H51749 [1,1,0,0,0,0|2,0,0]=4 554 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [1,1,0,0,0,0|2,0,0]=4 555 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,1,0,0,0,0|2,0,0]=4 556 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,1,0,0,0,0|2,0,0]=4 558 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.61 CC(=O)c1ccccc1Br A11982 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.61 CC(=O)c1ccccc1Cl A15232 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.61 CC(=O)c1ccccc1F A15128 [1,1,0,0,0,0|2,0,0]=4 562 B10R1.61 CC(=O)c1ccccc1I B25345 [1,1,0,0,0,0|2,0,0]=4 563 B10R1.61 CC(=O)c1ccccc1N A10895 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.61 CC(=O)c1ccccc1O A12550 [1,1,0,0,0,0|2,0,0]=4 565 B10R1.61 Cc1c(nccn1)C(=O)C A15054 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.61 Cc1ccccc1C(=C)C H26073 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.61 Cc1ccccc1C(=O)C A11695 [1,1,0,0,0,0|2,0,0]=4 568 B10R1.61 Cc1ccncc1C(=O)C H33380 [1,1,0,0,0,0|1,0,0]=3 569 B10R1.61 Cc1ccncc1C(=O)O B22367 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [1,1,0,0,0,0|2,0,0]=4 571 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [1,1,0,0,0,0|2,0,0]=4 572 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [1,1,0,0,0,0|2,0,0]=4 573 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [1,1,0,0,0,0|2,0,0]=4 574 B10R1.61 c1cc(c(nc1)Cl)C(=S)N H52252 [1,1,0,0,0,0|2,0,0]=4 575 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [1,1,0,0,0,0|2,0,0]=4 577 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [1,1,0,0,0,0|2,0,0]=4 578 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.61 c1cncc(c1N)C(=O)O H50032 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.61 c1cncc(c1O)C(=O)O H32282 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.113 CC(=O)c1cccc(c1)F A11733 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.113 CC(=O)c1cccc(c1)N A12503 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.113 CC(=O)c1cccc(c1)O A12547 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.113 c1c(cncc1F)C(=O)O H61162 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.113 c1c(cncc1N)C(=O)O H60192 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.113 c1c(cncc1O)C(=O)O H30725 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.14 Cc1ccc(o1)C(=O)OC H27570 [0,1,0,0,1,0|2,0,0]=4 602 B10R1.59 Cc1c(sc(n1)C)C(=O)C A13741 [0,1,0,0,1,0|2,0,0]=4 603 B10R1.59 Cc1cc(c(o1)C)C(=O)C A15545 [0,1,0,0,1,0|2,0,0]=4 604 B10R1.59 Cc1cc(c(s1)C)C(=O)C A17329 [0,1,0,0,1,0|2,0,0]=4 605 B12R1.4 CC(=O)Cc1ccc(cc1)OC A13209 [0,1,0,0,0,1|2,0,0]=4 606 B12R1.4 CC(=O)Nc1ccc(cc1)CO H33454 [0,1,0,0,0,1|2,0,0]=4 607 B12R1.4 CC(=O)Nc1ccc(cc1)OC A13253 [0,1,0,0,0,1|2,0,0]=4 608 B12R1.4 CCc1ccc(cc1)CC(=O)C A18810 [0,1,0,0,0,1|2,0,0]=4 609 B12R1.4 COc1ccc(cn1)NC(=S)N H33009 [0,1,0,0,0,1|2,0,0]=4 610 B12R1.19 Cc1ccc(cc1C)NC(=O)C L01919 [0,1,0,0,0,1|2,0,0]=4 611 B12R1.19 Cc1ccc(cc1Cl)NC(=O)C A19336 [0,1,0,0,0,1|2,0,0]=4 612 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C B22213 [0,1,0,0,0,1|2,0,0]=4 613 B12R1.233 Cc1ccc(c(c1)C)NC(=O)C H55605 [0,1,0,0,0,1|2,0,0]=4 614 B12R1.233 Cc1ccc(c(c1)O)NC(=O)C H66423 [0,1,0,0,0,1|2,0,0]=4 615 B12R1.5 CCC(=O)c1ccc(cc1)OC A14619 [0,2,0,0,0,0|2,0,0]=4 616 B12R1.5 CNc1ccc(cc1)C(=O)OC A13460 [0,2,0,0,0,0|2,0,0]=4 617 B12R1.5 COC(=O)c1ccc(cc1)CBr A10557 [0,2,0,0,0,0|2,0,0]=4 618 B12R1.5 COC(=O)c1ccc(cc1)CCl B22476 [0,2,0,0,0,0|2,0,0]=4 619 B12R1.5 COC(=O)c1ccc(cc1)CO B22564 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.5 COC(=O)c1ccc(nc1)CO H64750 [0,2,0,0,0,0|1,0,0]=3 621 B12R1.5 COc1ccc(cc1)C(=O)C=O L20274 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.5 COc1ccc(cc1)C(=O)CBr A13415 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.5 COc1ccc(cc1)C(=O)CN H66966 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.5 COc1ccc(cc1)C(=O)OC A12598 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.5 COc1ccc(cn1)C(=O)OC B20808 [0,2,0,0,0,0|1,0,0]=3 626 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC H25826 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.48 CC(=O)c1ccc(c(c1)F)OC A18972 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.113 CC(=O)c1ccc(cc1)CCCl L13800 [0,2,0,0,0,0|2,0,0]=4 629 B12R1.113 CCCc1ccc(cc1)C(=O)C L01144 [0,2,0,0,0,0|2,0,0]=4 630 B12R1.113 CCOc1ccc(cc1)C(=O)C A11031 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.256 CC(C)c1ccc(cc1)C(=O)C B20581 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.452 CC(=O)c1ccc(cc1F)OC A16891 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.452 CC(=O)c1ccc(cc1O)OC B22173 [0,2,0,0,0,0|2,0,0]=4 634 B12R1.452 COc1ccc(c(n1)Cl)C(=O)O H34001 [0,2,0,0,0,0|2,0,0]=4 635 B12R1.232 Cc1cc(c(cc1C)C(=O)C)C A10614 [0,2,0,0,0,0|2,0,0]=4 636 B12R1.232 Cc1cc(c(cc1C)O)C(=O)C H50685 [0,2,0,0,0,0|2,0,0]=4 637 B12R1.367 COC(=O)c1cc(c(nc1)Br)F H64395 [0,2,0,0,0,0|2,0,0]=4 638 B12R1.367 COC(=O)c1cc(c(nc1)Cl)Br H64754 [0,2,0,0,0,0|2,0,0]=4 639 B12R1.367 COC(=O)c1cc(c(nc1)N)Br H33991 [0,2,0,0,0,0|2,0,0]=4 640 B12R1.367 COC(=O)c1cc(c(nc1)O)Br H33548 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.367 Cc1ccc(cc1Br)C(=O)OC B24372 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.367 Cc1ccc(cc1C)C(=O)OC B20024 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.367 Cc1ccc(cc1Cl)C(=O)OC H25933 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.367 Cc1ccc(cc1I)C(=O)OC H28734 [0,2,0,0,0,0|2,0,0]=4 645 B12R1.367 Cc1ccc(cc1N)C(=O)OC A15348 [0,2,0,0,0,0|2,0,0]=4 646 B12R1.893 Cc1ccc(c(c1F)F)C(=O)C H26388 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.16 CCNC(=O)c1ccc(cc1)C H57901 [0,2,0,0,0,0|2,0,0]=4 648 B12R1.16 CCOC(=O)c1ccc(cc1)C A10568 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.16 CCOC(=O)c1ccc(nc1)Cl A14723 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.16 Cc1ccc(cc1)C(=O)CC#N A10950 [0,2,0,0,0,0|2,0,0]=4 651 B12R1.1703 COC(=O)c1ccc(nc1Cl)Cl H51092 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.1703 COC(=O)c1cnc(cc1Cl)Cl H64077 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.1703 Cc1ccc(c(c1)Br)C(=O)OC H63144 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.1703 Cc1ccc(c(c1)O)C(=O)OC H64793 [0,2,0,0,0,0|2,0,0]=4 655 B12R1.1703 Cc1ccc(c(n1)O)\C(=N\O)\N H51796 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.1000 Cc1cc(c(c(=O)o1)C(=O)C)[O-] B21060 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.1000 Cc1cc(c(c(c1)C)C(=O)C)C A11549 [0,2,0,0,0,0|2,0,0]=4 658 B12R1.1000 Cc1cc(nc(c1C(=O)C)C)C H27138 [0,2,0,0,0,0|1,0,0]=3 659 B12R1.1000 Cc1cc(nc(c1C(=S)N)O)C H52149 [0,2,0,0,0,0|2,0,0]=4 660 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br H66848 [0,0,0,1,0,1|2,0,0]=4 661 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl B21036 [0,0,0,1,0,1|2,0,0]=4 662 B12R2.606 Cc1cc2cc(ccc2[nH]1)F H66121 [0,0,0,1,0,1|2,0,0]=4 663 B12R2.606 Cc1cc2cc(ccc2[nH]1)N B21694 [0,0,0,1,0,1|2,0,0]=4 664 B12R2.606 Cc1cc2cc(ccc2[nH]1)O H35580 [0,0,0,1,0,1|2,0,0]=4 665 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C H66874 [0,0,0,1,0,1|1,0,0]=3 666 B12R2.606 Cc1ccc2c(c1)nc(o2)C B21780 [0,0,0,1,0,1|2,0,0]=4 667 B12R2.606 Cc1ccc2c(c1)nc(s2)C A14830 [0,0,0,1,0,1|2,0,0]=4 668 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.1 CCc1[nH]cc(n1)C A15798 [1,0,0,0,1,0|1,0,1]=4 670 B8R1.1 CCc1ccc(s1)C B22640 [1,0,0,0,1,0|1,0,1]=4 671 B8R1.1 CCc1nc(cs1)C A15642 [1,0,0,0,1,0|1,0,1]=4 672 B8R1.1 Cc1ccc(o1)C=O A13264 [1,0,0,0,1,0|2,0,0]=4 673 B8R1.1 Cc1ccc(o1)SC B21998 [1,0,0,0,1,0|2,0,0]=4 674 B8R1.1 Cc1ccc(s1)C=O A11119 [1,0,0,0,1,0|2,0,0]=4 675 B8R1.1 Cn1cc(cn1)C=O H54146 [1,0,0,0,1,0|2,0,0]=4 676 B8R1.7 CC(=C1C=CC=C1)C B21826 [1,0,0,0,1,0|0,0,1]=3 677 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [1,0,0,0,1,0|1,0,1]=4 678 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [1,0,0,0,1,0|1,0,1]=4 679 B8R1.7 CC(=O)c1ccco1 A14938 [1,0,0,0,1,0|2,0,0]=4 680 B8R1.7 CC(=O)c1cccs1 A13062 [1,0,0,0,1,0|2,0,0]=4 681 B8R1.7 CC(=O)c1ccoc1 H34071 [1,0,0,0,1,0|2,0,0]=4 682 B8R1.7 CC(=O)c1ccsc1 A11078 [1,0,0,0,1,0|2,0,0]=4 683 B8R1.7 CC(=O)c1nccs1 A11266 [1,0,0,0,1,0|2,0,0]=4 684 B8R1.7 CC(=O)n1ccnc1 L00137 [1,0,0,0,1,0|2,0,0]=4 685 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,0,0,0,0,1|1,0,0]=3 686 B10R1.18 CC(=O)Nc1ccccc1 A14361 [1,0,0,0,0,1|2,0,0]=4 687 B10R1.18 CC(=O)Oc1ccccc1 B22561 [1,0,0,0,0,1|2,0,0]=4 688 B10R1.18 CC(=O)Oc1ccccc1 L19598 [1,0,0,0,0,1|2,0,0]=4 689 B10R1.18 CC(=O)Sc1ccccc1 H55175 [1,0,0,0,0,1|2,0,0]=4 690 B10R1.18 CC(C)Cc1cccnc1 B22080 [1,0,0,0,0,1|0,0,2]=4 691 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [1,0,0,0,0,1|2,0,0]=4 692 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [1,0,0,0,0,1|2,0,0]=4 693 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [1,0,0,0,0,1|2,0,0]=4 694 B10R1.18 c1cc(cnc1)NC(=S)N L01284 [1,0,0,0,0,1|2,0,0]=4 695 B12R1.21 Cc1ccc(cc1)COC(=O)C B22318 [0,0,0,0,0,2|2,0,0]=4 696 B12R1.21 Cc1ccc(cc1)SCC(=O)C B20247 [0,0,0,0,0,2|2,0,0]=4