0 B11R1.16 C=CCC(c1ccccc1)O H53466 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.16 CC(c1ccccc1)N=C=S B20011 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 CCCC(C)c1ccccc1 B20114 [0,0,0,0,0,0|1,0,0]=1 4 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.16 CN(CCO)c1ccccn1 B25555 [0,0,0,0,0,0|4,0,0]=4 10 B11R1.16 CNCC(c1ccccc1)O L08111 [0,0,0,0,0,0|1,0,0]=1 11 B11R1.16 C[C@@H](c1ccccc1)N=C=O L11141 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.16 C[C@@H](c1ccccc1)N=C=S L19986 [0,0,0,0,0,0|3,0,0]=3 13 B11R1.16 C[C@H](c1ccccc1)N=C=O L10305 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.16 C[C@H](c1ccccc1)N=C=S L20315 [0,0,0,0,0,0|3,0,0]=3 15 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,0,0,0,0,0|3,0,1]=4 16 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,0,0,0,0,0|3,0,1]=4 17 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O H55567 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.16 c1ccc(cc1)[C@H](CCCl)O H54847 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.15 C#CC(c1ccccc1)O L09549 [1,0,0,0,0,0|1,0,2]=4 20 B10R1.15 CC(C#N)c1ccccc1 A13636 [1,0,0,0,0,0|0,0,2]=3 21 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,0,0,0,0,0|1,0,1]=3 22 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.15 CC(CN)c1ccccc1 H36338 [1,0,0,0,0,0|0,0,0]=1 24 B10R1.15 CC(CO)c1ccccc1 B23473 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,0,0,0,0,0|1,0,1]=3 26 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.15 CCC(=O)c1ccncc1 L11552 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.15 CCC(C)c1ccccc1 B22962 [1,0,0,0,0,0|0,0,0]=1 29 B10R1.15 CCC(c1ccccc1)O A10830 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,0,0,0,0,0|1,0,0]=2 31 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,0,0,0,0,0|1,0,0]=2 33 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,0,0,0,0,0|1,0,0]=2 34 B10R1.15 CN(C=O)c1ccccc1 A11829 [1,0,0,0,0,0|2,0,1]=4 35 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.15 COC(=O)c1ccccc1 44368 [1,0,0,0,0,0|2,0,1]=4 37 B10R1.15 COC(=O)c1ccccc1 A12404 [1,0,0,0,0,0|2,0,1]=4 38 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,0,0,0,0,0|1,0,0]=2 39 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,0,0,0,0,0|1,0,0]=2 40 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [1,0,0,0,0,0|1,0,2]=4 41 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,0,0,0,0,0|2,0,1]=4 42 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,0,0,0,0,0|1,0,1]=3 44 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,0,0,0,0,0|2,0,1]=4 45 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,0,0,0,0,0|2,0,1]=4 46 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [1,0,0,0,0,0|2,0,1]=4 47 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [1,0,0,0,0,0|1,0,2]=4 48 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [1,0,0,0,0,0|2,0,0]=3 49 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,0,0,0,0,0|2,0,0]=3 50 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,0,0,0,0,0|1,0,0]=2 51 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [1,0,0,0,0,0|1,0,2]=4 53 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,0,0,0,0,0|1,0,0]=2 54 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,0,0,0,0,0|2,0,0]=3 55 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,0,0,0,0,0|2,0,0]=3 56 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [1,0,0,0,0,0|1,0,2]=4 57 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,0,0,0,0,0|1,0,0]=2 58 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.17 C#CCCc1ccccc1 L12946 [1,0,0,0,0,0|1,0,1]=3 61 B10R1.17 C#CCOc1ccccc1 43923 [1,0,0,0,0,0|2,0,1]=4 62 B10R1.17 C#CCOc1ccccc1 A18272 [1,0,0,0,0,0|2,0,1]=4 63 B10R1.17 C=CCNc1ccccc1 H55821 [1,0,0,0,0,0|2,0,1]=4 64 B10R1.17 C=CCOc1ccccc1 L03359 [1,0,0,0,0,0|2,0,1]=4 65 B10R1.17 C=CCSc1ccccc1 L04771 [1,0,0,0,0,0|2,0,1]=4 66 B10R1.17 CCC#Cc1ccccc1 A11332 [1,0,0,0,0,0|1,0,2]=4 67 B10R1.17 CCCC[n+]1ccccc1 19740 [1,0,0,0,0,0|2,0,0]=3 68 B10R1.17 CCCC[n+]1ccccc1 H26995 [1,0,0,0,0,0|2,0,0]=3 69 B10R1.17 CCCCc1ccccc1 A10910 [1,0,0,0,0,0|1,0,0]=2 70 B10R1.17 CCNCc1ccccc1 L05651 [1,0,0,0,0,0|2,0,0]=3 71 B10R1.17 CCNCc1cccnc1 H51120 [1,0,0,0,0,0|3,0,0]=4 72 B10R1.17 CCNCc1ccncc1 L13714 [1,0,0,0,0,0|3,0,0]=4 73 B10R1.17 CNCCc1ccccn1 H50190 [1,0,0,0,0,0|1,0,0]=2 74 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,0,0,0,0,0|2,0,0]=3 75 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,0,0,0,0,0|2,0,0]=3 76 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,0,0,0,0,0|2,0,0]=3 78 B10R1.17 c1ccc(cc1)CCCI H53420 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.17 c1ccc(cc1)CCCN L03023 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.17 c1ccc(cc1)CCCO A13022 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,0,0,0,0,0|2,0,0]=3 82 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.17 c1ccc(cc1)CN=C=S A15008 [1,0,0,0,0,0|3,0,0]=4 84 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [1,0,0,0,0,0|2,0,1]=4 85 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,0,0,0,0,0|3,0,0]=4 86 B10R1.17 c1ccc(cc1)COC=O L13405 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.17 c1ccc(cc1)COCCl H60207 [1,0,0,0,0,0|3,0,0]=4 88 B10R1.17 c1ccc(cc1)CSC#N B23902 [1,0,0,0,0,0|3,0,0]=4 89 B10R1.17 c1ccc(cc1)NCCN L03786 [1,0,0,0,0,0|3,0,0]=4 90 B10R1.17 c1ccc(cc1)NCCO B22131 [1,0,0,0,0,0|3,0,0]=4 91 B10R1.17 c1ccc(cc1)OCC#N A11981 [1,0,0,0,0,0|3,0,0]=4 92 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,0,0,0,0,0|3,0,0]=4 94 B10R1.17 c1ccc(cc1)OCCN A12225 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.17 c1ccc(cc1)OCCO A10786 [1,0,0,0,0,0|3,0,0]=4 96 B10R1.17 c1ccc(cc1)SCC#N A12869 [1,0,0,0,0,0|3,0,0]=4 97 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,0,0,0,0,0|3,0,0]=4 98 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,0,0,0,0,0|3,0,0]=4 99 B10R1.17 c1ccc(cc1)SCCO A10861 [1,0,0,0,0,0|3,0,0]=4 100 B12R1.3 CC[C@@H](c1ccccc1)N=C=O L20246 [0,1,0,0,0,0|3,0,0]=4 101 B12R1.3 CC[C@@H](c1ccccc1)N=C=S L20072 [0,1,0,0,0,0|3,0,0]=4 102 B12R1.3 CC[C@H](c1ccccc1)N=C=O L20355 [0,1,0,0,0,0|3,0,0]=4 103 B12R1.3 CC[C@H](c1ccccc1)N=C=S L20318 [0,1,0,0,0,0|3,0,0]=4 104 B12R1.16 C=CCC(c1ccc(cc1)Cl)O H53381 [0,1,0,0,0,0|2,0,1]=4 105 B12R1.16 CC(c1ccc(cc1)Br)N=C=O L11836 [0,1,0,0,0,0|3,0,0]=4 106 B12R1.16 CC(c1ccc(cc1)F)N=C=S L12123 [0,1,0,0,0,0|3,0,0]=4 107 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.16 CNCC(c1ccc(cc1)F)O H50796 [0,1,0,0,0,0|1,0,0]=2 110 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O L20322 [0,1,0,0,0,0|3,0,0]=4 111 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=S L20320 [0,1,0,0,0,0|3,0,0]=4 112 B12R1.16 C[C@@H](c1ccc(cc1)Cl)N=C=O L20227 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.16 C[C@@H](c1ccc(cc1)Cl)N=C=S L19975 [0,1,0,0,0,0|3,0,0]=4 114 B12R1.16 C[C@@H](c1ccc(cc1)F)N=C=O L20231 [0,1,0,0,0,0|3,0,0]=4 115 B12R1.16 C[C@@H](c1ccc(cc1)F)N=C=S L19978 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.16 C[C@H](c1ccc(cc1)Br)N=C=S L20319 [0,1,0,0,0,0|3,0,0]=4 117 B12R1.16 C[C@H](c1ccc(cc1)Cl)N=C=O L20226 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.16 C[C@H](c1ccc(cc1)Cl)N=C=S L19974 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.16 C[C@H](c1ccc(cc1)F)N=C=O L20230 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.16 C[C@H](c1ccc(cc1)F)N=C=S L19977 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.30 CC(c1ccccc1)NCCO H50261 [0,1,0,0,0,0|2,0,0]=3 122 B12R1.30 CCCCC(=O)c1ccccc1 A10525 [0,1,0,0,0,0|2,0,1]=4 123 B12R1.30 CCCCC(c1ccccc1)O L04646 [0,1,0,0,0,0|2,0,0]=3 124 B12R1.30 CN(CCC#N)c1ccccc1 L11162 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.30 c1ccc(cc1)C(=O)CCCCl L06383 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.34 CC(c1ccccc1)\C(=N\O)\N H66170 [0,1,0,0,0,0|1,0,2]=4 127 B12R1.34 COC(=O)C(c1ccccc1)Br L09043 [0,1,0,0,0,0|2,0,1]=4 128 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.34 COC(=O)[C@@H](c1ccccc1)N L18735 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [0,1,0,0,0,0|2,0,1]=4 131 B12R1.34 COC(=O)[C@H](c1ccccc1)N H62874 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.34 c1ccc(cc1)C(C(=O)NN)O L11653 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)N)O 42183 [0,1,0,0,0,0|3,0,0]=4 135 B12R1.39 CC(CC=C)(c1ccccc1)O B20248 [0,1,0,0,0,0|1,0,1]=3 136 B12R1.39 CCCC(C)(c1ccccc1)O B20854 [0,1,0,0,0,0|1,0,0]=2 137 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.107 CC(CC(=O)O)c1ccccc1 L08078 [0,1,0,0,0,0|2,0,0]=3 139 B12R1.107 C[C@@H](c1ccccc1)NC(C)C L18355 [0,1,0,0,0,0|2,0,0]=3 140 B12R1.107 C[C@H](c1ccccc1)NC(C)C L18354 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.107 c1ccc(cc1)C(CC(=O)O)N L19801 [0,1,0,0,0,0|3,0,0]=4 142 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N H52034 [0,1,0,0,0,0|3,0,0]=4 143 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [0,1,0,0,0,0|3,0,0]=4 144 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [0,1,0,0,0,0|3,0,0]=4 145 B12R2.2 c1cc(cnc1)C2CCCN2 L10809 [0,0,0,1,0,0|3,0,0]=4 146 B12R2.2 c1ccc(cc1)C2NCCS2 H62823 [0,0,0,1,0,0|3,0,0]=4 147 B12R2.2 c1ccc(cc1)N2CCCC2 L05239 [0,0,0,1,0,0|2,0,0]=3 148 B12R2.2 c1ccnc(c1)C2CCCN2 H50176 [0,0,0,1,0,0|3,0,0]=4 149 B12R2.2 c1cnccc1C2CCCN2 H26051 [0,0,0,1,0,0|3,0,0]=4 150 B12R2.2 c1cnccc1N2CCCC2 B23989 [0,0,0,1,0,0|3,0,0]=4 151 B12R2.1081 CC1c2ccccc2CCN1 H64191 [0,0,0,1,0,0|2,0,0]=3 152 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [0,0,0,1,0,0|3,0,0]=4 153 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,0,0,1,0,0|2,0,1]=4 154 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [0,0,0,1,0,0|2,0,0]=3 155 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [0,0,0,1,0,0|2,0,0]=3 156 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [0,0,0,1,0,0|2,0,0]=3 157 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [0,0,0,1,0,0|2,0,1]=4 158 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [0,0,0,1,0,0|2,0,1]=4 159 B12R2.2028 Cn1c2ccccc2c(n1)N H34285 [0,0,0,1,0,0|2,0,1]=4 160 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 L02218 [0,0,0,1,0,0|2,0,1]=4 161 B9R1.6 CC(=C)c1ccccc1 L03609 [2,0,0,0,0,0|0,0,2]=4 162 B9R1.6 CC(=O)c1ccccc1 A12727 [2,0,0,0,0,0|1,0,1]=4 163 B9R1.6 CC(C)c1ccccc1 A11864 [2,0,0,0,0,0|0,0,0]=2 164 B9R1.6 CC(C)c1cnccn1 A13891 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.6 CC(c1ccccc1)Br A16839 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.6 CC(c1ccccc1)N A15711 [2,0,0,0,0,0|0,0,0]=2 167 B9R1.6 CC(c1ccccc1)O A13837 [2,0,0,0,0,0|1,0,0]=3 168 B9R1.6 CC(c1ccccc1)S H26345 [2,0,0,0,0,0|1,0,0]=3 169 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [2,0,0,0,0,0|1,0,0]=3 170 B9R1.6 CC(c1ccccn1)N H26046 [2,0,0,0,0,0|1,0,0]=3 171 B9R1.6 CC(c1cccnc1)N H26047 [2,0,0,0,0,0|1,0,0]=3 172 B9R1.6 CC(c1ccncc1)N H50303 [2,0,0,0,0,0|1,0,0]=3 173 B9R1.6 CC(c1ccncc1)O H58711 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [2,0,0,0,0,0|2,0,0]=4 175 B9R1.6 CN(C)c1ccccc1 A11916 [2,0,0,0,0,0|1,0,0]=3 176 B9R1.6 CN(C)c1ccccn1 L02513 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.6 CN(C)c1ccncc1 A13016 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.6 CN(C)c1ccncc1 H51715 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.6 CN(c1ccccc1)N B22440 [2,0,0,0,0,0|1,0,0]=3 180 B9R1.6 CP(C)c1ccccc1 A17975 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.6 CS(=O)c1ccccc1 A15009 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.6 C[C@@H](c1ccccc1)N A12632 [2,0,0,0,0,0|0,0,0]=2 183 B9R1.6 C[C@@H](c1ccccc1)N L19118 [2,0,0,0,0,0|0,0,0]=2 184 B9R1.6 C[C@@H](c1ccccc1)O B21188 [2,0,0,0,0,0|1,0,0]=3 185 B9R1.6 C[C@H](c1ccccc1)N A10967 [2,0,0,0,0,0|0,0,0]=2 186 B9R1.6 C[C@H](c1ccccc1)N L19117 [2,0,0,0,0,0|0,0,0]=2 187 B9R1.6 C[C@H](c1ccccc1)O L19296 [2,0,0,0,0,0|1,0,0]=3 188 B9R1.6 C[C@H](c1ccncc1)O H51033 [2,0,0,0,0,0|2,0,0]=4 189 B9R1.6 C[SiH](C)c1ccccc1 L04558 [2,0,0,0,0,0|0,1,0]=3 190 B9R1.6 c1ccc(cc1)C(=N)N A16002 [2,0,0,0,0,0|1,0,1]=4 191 B9R1.6 c1ccc(cc1)C(=O)N A10501 [2,0,0,0,0,0|1,0,1]=4 192 B9R1.6 c1ccc(cc1)C(=S)N A12973 [2,0,0,0,0,0|1,0,1]=4 193 B9R1.8 C#CCc1ccccc1 H53500 [2,0,0,0,0,0|0,0,2]=4 194 B9R1.8 C=CCc1ccccc1 A12965 [2,0,0,0,0,0|0,0,2]=4 195 B9R1.8 CC#Cc1ccccc1 A14272 [2,0,0,0,0,0|0,0,2]=4 196 B9R1.8 CCCc1ccccc1 B21468 [2,0,0,0,0,0|0,0,0]=2 197 B9R1.8 CCNc1ccccc1 A15060 [2,0,0,0,0,0|1,0,0]=3 198 B9R1.8 CCOc1ccccc1 A15501 [2,0,0,0,0,0|1,0,0]=3 199 B9R1.8 CCOc1ccccn1 L05649 [2,0,0,0,0,0|2,0,0]=4 200 B9R1.8 CCSc1ccccc1 A13987 [2,0,0,0,0,0|1,0,0]=3 201 B9R1.8 CNCc1ccccc1 A13746 [2,0,0,0,0,0|0,0,0]=2 202 B9R1.8 CNCc1cccnc1 H50262 [2,0,0,0,0,0|1,0,0]=3 203 B9R1.8 COCc1ccccc1 B23490 [2,0,0,0,0,0|1,0,0]=3 204 B9R1.8 C\N=C\c1ccccc1 B25161 [2,0,0,0,0,0|0,0,2]=4 205 B9R1.8 c1cc(cnc1)CCN L16311 [2,0,0,0,0,0|1,0,0]=3 206 B9R1.8 c1ccc(cc1)CC#N A10694 [2,0,0,0,0,0|0,0,2]=4 207 B9R1.8 c1ccc(cc1)CC=O A14263 [2,0,0,0,0,0|1,0,1]=4 208 B9R1.8 c1ccc(cc1)CCBr A12528 [2,0,0,0,0,0|1,0,0]=3 209 B9R1.8 c1ccc(cc1)CCCl L04891 [2,0,0,0,0,0|1,0,0]=3 210 B9R1.8 c1ccc(cc1)CCN A13402 [2,0,0,0,0,0|0,0,0]=2 211 B9R1.8 c1ccc(cc1)CCO A15241 [2,0,0,0,0,0|1,0,0]=3 212 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [2,0,0,0,0,0|1,0,0]=3 213 B9R1.8 c1ccc(cc1)CNN H54916 [2,0,0,0,0,0|1,0,0]=3 214 B9R1.8 c1ccc(cc1)CON A17393 [2,0,0,0,0,0|1,0,0]=3 215 B9R1.8 c1ccc(cc1)CON L13601 [2,0,0,0,0,0|1,0,0]=3 216 B9R1.8 c1ccnc(c1)CCN L05627 [2,0,0,0,0,0|1,0,0]=3 217 B9R1.8 c1ccnc(c1)CCO B23579 [2,0,0,0,0,0|2,0,0]=4 218 B9R1.8 c1cnccc1CCN H27545 [2,0,0,0,0,0|1,0,0]=3 219 B9R1.8 c1cnccc1CCO L13780 [2,0,0,0,0,0|2,0,0]=4 220 B11R1.7 CC(C#C)(c1ccccc1)O B25515 [1,1,0,0,0,0|0,0,2]=4 221 B11R1.7 CCC(C)(C)c1ccccc1 L03731 [1,1,0,0,0,0|0,0,0]=2 222 B11R1.7 CCS(=O)(=O)c1ccccc1 A10710 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.7 CNS(=O)(=O)c1ccccc1 H55666 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.7 COP(=O)(C)c1ccccc1 A18760 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.7 CO[Si](C)(C)c1ccccc1 H27165 [1,1,0,0,0,0|1,1,0]=4 226 B11R1.12 B(CC)(CC)c1cccnc1 H64225 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.12 CCC(C#N)c1ccccc1 A17093 [1,1,0,0,0,0|0,0,1]=3 228 B11R1.12 CCN(CC)c1ccccc1 A10560 [1,1,0,0,0,0|1,0,0]=3 229 B11R1.12 CCP(CC)c1ccccc1 10180 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.12 COC(c1ccccc1)OC A11009 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.12 COP(c1ccccc1)OC A14006 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.12 CO[C@@H](CO)c1ccccc1 L14044 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.12 c1ccc(cc1)C(CO)CO H56761 [1,1,0,0,0,0|1,0,0]=3 234 B11R1.12 c1ccc(cc1)P(CO)CO H27733 [1,1,0,0,0,0|2,0,0]=4 235 B11R1.22 CCC(=O)c1ccc(cc1)Br A14349 [1,1,0,0,0,0|1,0,1]=4 236 B11R1.22 CCC(=O)c1ccc(cc1)C B21673 [1,1,0,0,0,0|1,0,1]=4 237 B11R1.22 CCC(=O)c1ccc(cc1)Cl A11633 [1,1,0,0,0,0|1,0,1]=4 238 B11R1.22 CCC(=O)c1ccc(cc1)F A16219 [1,1,0,0,0,0|1,0,1]=4 239 B11R1.22 CCC(=O)c1ccc(cc1)O A15314 [1,1,0,0,0,0|1,0,1]=4 240 B11R1.22 CNC(=O)c1ccc(cc1)Br H57940 [1,1,0,0,0,0|1,0,1]=4 241 B11R1.22 CNC(=O)c1ccc(cc1)F H57798 [1,1,0,0,0,0|1,0,1]=4 242 B11R1.22 Cc1ccc(cc1)C(=O)NC H56446 [1,1,0,0,0,0|1,0,1]=4 243 B11R1.22 c1cc(ccc1C(=O)CN)Br L04292 [1,1,0,0,0,0|1,0,1]=4 244 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [1,1,0,0,0,0|1,0,1]=4 245 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.23 CCC(c1cccc(c1)F)O H32342 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [1,1,0,0,0,0|1,0,1]=4 249 B11R1.23 Cc1cccc(c1)C(=O)NC H56299 [1,1,0,0,0,0|1,0,1]=4 250 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [1,1,0,0,0,0|1,0,1]=4 251 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [1,1,0,0,0,0|1,0,1]=4 252 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [1,1,0,0,0,0|1,0,1]=4 253 B11R1.36 CC(C)C(c1ccccc1)O B20729 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [1,1,0,0,0,0|1,0,1]=4 255 B11R1.36 CC(c1ccccc1)N(C)C A17989 [1,1,0,0,0,0|0,0,0]=2 256 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.36 CN(c1ccccc1)C(=S)N B20824 [1,1,0,0,0,0|1,0,1]=4 258 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [1,1,0,0,0,0|1,0,1]=4 259 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [1,1,0,0,0,0|1,0,1]=4 261 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [1,1,0,0,0,0|1,0,1]=4 262 B11R1.222 CCC(=O)c1ccccc1F L12423 [1,1,0,0,0,0|1,0,1]=4 263 B11R1.222 CCC(=O)c1ccccc1O B25442 [1,1,0,0,0,0|1,0,1]=4 264 B11R1.222 CCC(C)c1ccccc1O A18461 [1,1,0,0,0,0|0,0,0]=2 265 B11R1.222 CCC(c1ccccc1F)O H31929 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.222 CNC(=O)c1ccccc1Br H50583 [1,1,0,0,0,0|1,0,1]=4 267 B11R1.222 CNC(=O)c1ccccc1Cl H56910 [1,1,0,0,0,0|1,0,1]=4 268 B11R1.222 CNC(=O)c1ccccc1F H56104 [1,1,0,0,0,0|1,0,1]=4 269 B11R1.222 c1ccc(c(c1)C(CN)O)F H50770 [1,1,0,0,0,0|1,0,0]=3 270 B11R1.222 c1ccc(c(c1)[C@@H](CO)O)Cl H56431 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.1 CCCC[n+]1ccc(cc1)C H27100 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.1 CCCC[n+]1ccc(cc1)C H27355 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.1 CCCCc1ccc(cc1)Br B23979 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.1 CCCCc1ccc(cc1)Cl B24138 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.1 CCCCc1ccc(cc1)I A14421 [1,1,0,0,0,0|1,0,0]=3 276 B11R1.1 CCCCc1ccc(cc1)N B25234 [1,1,0,0,0,0|1,0,0]=3 277 B11R1.1 CCCCc1ccc(cc1)O A12812 [1,1,0,0,0,0|1,0,0]=3 278 B11R1.1 CCCOc1ccc(cc1)Br A11462 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.1 CCCOc1ccc(cc1)N H55096 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.1 CCCOc1ccc(cc1)O B22266 [1,1,0,0,0,0|2,0,0]=4 281 B11R1.1 CCNCc1ccc(cc1)F H56689 [1,1,0,0,0,0|2,0,0]=4 282 B11R1.1 COCCc1ccc(cc1)O B23548 [1,1,0,0,0,0|1,0,0]=3 283 B11R1.1 c1cc(ccc1CCC#N)O L07934 [1,1,0,0,0,0|2,0,0]=4 284 B11R1.1 c1cc(ccc1CCCO)Br H61118 [1,1,0,0,0,0|2,0,0]=4 285 B11R1.17 CCNCc1ccccc1F H56127 [1,1,0,0,0,0|2,0,0]=4 286 B11R1.17 c1ccc(c(c1)CCCO)Br H63884 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.24 CCCC[n+]1cccc(c1)C H26983 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.24 CCCC[n+]1cccc(c1)C H27496 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.24 CCNCc1cccc(c1)F H56434 [1,1,0,0,0,0|2,0,0]=4 290 B11R1.28 C#CCCCc1ccccc1 L11608 [1,1,0,0,0,0|1,0,1]=4 291 B11R1.28 C#CCOCc1ccccc1 H53481 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.28 CCCC#Cc1ccccc1 B20857 [1,1,0,0,0,0|1,0,1]=4 293 B11R1.28 CCCCCc1ccccc1 A15734 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.28 CCCCCc1ccccn1 B22125 [1,1,0,0,0,0|2,0,0]=4 295 B11R1.28 CCCCNc1ccccc1 B24180 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.28 CCCCOc1ccccc1 L04703 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.28 CCCCOc1ccccn1 B21651 [1,1,0,0,0,0|2,0,0]=4 298 B11R1.28 CNCCOc1ccccc1 H50258 [1,1,0,0,0,0|0,0,0]=2 299 B11R1.28 COCCSc1ccccc1 L10464 [1,1,0,0,0,0|1,0,0]=3 300 B11R1.28 c1ccc(cc1)CCCC#N L01638 [1,1,0,0,0,0|1,0,1]=4 301 B11R1.28 c1ccc(cc1)CCCCBr B25237 [1,1,0,0,0,0|1,0,0]=3 302 B11R1.28 c1ccc(cc1)CCCCCl A11753 [1,1,0,0,0,0|1,0,0]=3 303 B11R1.28 c1ccc(cc1)CCCCN L02982 [1,1,0,0,0,0|1,0,0]=3 304 B11R1.28 c1ccc(cc1)CCCCO A13433 [1,1,0,0,0,0|1,0,0]=3 305 B11R1.28 c1ccc(cc1)CCN=C=S A15123 [1,1,0,0,0,0|0,0,2]=4 306 B11R1.28 c1ccc(cc1)CNCC#N L18566 [1,1,0,0,0,0|2,0,0]=4 307 B11R1.28 c1ccc(cc1)CNCCN A13262 [1,1,0,0,0,0|2,0,0]=4 308 B11R1.28 c1ccc(cc1)CNCCO A16866 [1,1,0,0,0,0|2,0,0]=4 309 B11R1.28 c1ccc(cc1)COCCBr H56872 [1,1,0,0,0,0|2,0,0]=4 310 B11R1.28 c1ccc(cc1)COCCI H35095 [1,1,0,0,0,0|2,0,0]=4 311 B11R1.28 c1ccc(cc1)CSCCO L12274 [1,1,0,0,0,0|2,0,0]=4 312 B11R1.28 c1ccc(cc1)OCCCBr L12494 [1,1,0,0,0,0|2,0,0]=4 313 B11R1.28 c1ccc(cc1)OCCCN H52398 [1,1,0,0,0,0|2,0,0]=4 314 B11R1.28 c1ccc(cc1)SCCCCl B21345 [1,1,0,0,0,0|2,0,0]=4 315 B11R1.40 CCN(C)Cc1ccccc1 L08520 [1,1,0,0,0,0|2,0,0]=4 316 B11R1.40 COC(=O)Cc1ccccc1 A15537 [1,1,0,0,0,0|1,0,1]=4 317 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [1,1,0,0,0,0|2,0,0]=4 318 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [1,1,0,0,0,0|2,0,0]=4 319 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [1,1,0,0,0,0|2,0,0]=4 320 B11R1.91 B(CCc1ccccc1)(O)O H52502 [1,1,0,0,0,0|2,0,0]=4 321 B11R1.91 CC(=C)COc1ccccc1 B22369 [1,1,0,0,0,0|2,0,0]=4 322 B11R1.91 CC(=N)SCc1ccccc1 H51844 [1,1,0,0,0,0|2,0,0]=4 323 B11R1.91 CC(=O)CCc1ccccc1 B22777 [1,1,0,0,0,0|1,0,0]=3 324 B11R1.91 CC(=O)OCc1ccccc1 B23472 [1,1,0,0,0,0|2,0,0]=4 325 B11R1.91 CC(C)NCc1ccccc1 B23243 [1,1,0,0,0,0|2,0,0]=4 326 B11R1.91 CC(CCc1ccccc1)N A18804 [1,1,0,0,0,0|1,0,0]=3 327 B11R1.91 CC(CCc1ccccc1)O L05970 [1,1,0,0,0,0|1,0,0]=3 328 B11R1.91 CC(COc1ccccc1)O L04596 [1,1,0,0,0,0|2,0,0]=4 329 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [1,1,0,0,0,0|1,0,0]=3 330 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [1,1,0,0,0,0|1,0,0]=3 331 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [1,1,0,0,0,0|2,0,0]=4 332 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [1,1,0,0,0,0|2,0,0]=4 333 B13R1.47 CCCC(C)C(c1ccccc1)O B20596 [0,1,0,0,0,1|1,0,0]=3 334 B13R1.452 CNCC(c1ccc(cc1)OC)O H50754 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.466 CNC[C@@H](c1ccc(c(c1)O)O)O L04911 [0,2,0,0,0,0|1,0,0]=3 336 B13R1.460 CNCC(c1cccc(c1)OC)O H50758 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.11 C[C@H](c1ccccc1)NC(=O)CCl H50740 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.45 CC(C)NCC(=O)c1ccccc1 H50799 [0,2,0,0,0,0|1,0,1]=4 339 B13R1.45 CC(C)NCC(c1ccccc1)O H50793 [0,2,0,0,0,0|1,0,0]=3 340 B13R1.45 CN(C)CCC(=O)c1ccccc1 L01179 [0,2,0,0,0,0|1,0,1]=4 341 B13R1.152 C[C@@H]([C@@H](c1ccccc1)O)N(C)C 41570 [0,2,0,0,0,0|1,0,0]=3 342 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [1,0,0,1,0,0|0,0,2]=4 343 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [1,0,0,1,0,0|1,0,1]=4 344 B11R2.1 c1ccc2c(c1)CCC2N A16585 [1,0,0,1,0,0|1,0,0]=3 345 B11R2.1 c1ccc2c(c1)CCC2O B24536 [1,0,0,1,0,0|1,0,0]=3 346 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [1,0,0,1,0,0|1,0,0]=3 347 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [1,0,0,1,0,0|1,0,0]=3 348 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [1,0,0,1,0,0|1,0,1]=4 349 B11R2.20 c1ccc2c(c1)CCCC2 A14962 [1,0,0,1,0,0|1,0,0]=3 350 B11R2.20 c1ccc2c(c1)CCCN2 B22750 [1,0,0,1,0,0|2,0,0]=4 351 B11R2.20 c1ccc2c(c1)CCNC2 L08143 [1,0,0,1,0,0|0,0,0]=2 352 B11R2.20 c1ccc2c(c1)CCOC2 A12566 [1,0,0,1,0,0|1,0,0]=3 353 B11R2.238 c1ccc(cc1)SC2CC2 L12321 [1,0,0,1,0,0|2,0,0]=4 354 B13R2.3 c1cc(cnc1)C2CCCCN2 L12089 [0,1,0,1,0,0|2,0,0]=4 355 B13R2.3 c1cc(cnc1)[C@@H]2CCCCN2 L18484 [0,1,0,1,0,0|2,0,0]=4 356 B13R2.3 c1ccc(cc1)C2=CCCCC2 B20602 [0,1,0,1,0,0|1,0,1]=4 357 B13R2.3 c1ccc(cc1)C2CCCCC2 A16320 [0,1,0,1,0,0|1,0,0]=3 358 B13R2.3 c1ccc(cc1)C2CCNCC2 H66389 [0,1,0,1,0,0|0,0,0]=2 359 B13R2.3 c1ccc(cc1)C2CCOCO2 A15838 [0,1,0,1,0,0|1,0,0]=3 360 B13R2.3 c1ccc(cc1)C2CNCCN2 H26502 [0,1,0,1,0,0|0,0,0]=2 361 B13R2.3 c1ccc(cc1)N2CCNCC2 A12610 [0,1,0,1,0,0|1,0,0]=3 362 B13R2.3 c1ccc(cc1)N2CCNCC2 A16995 [0,1,0,1,0,0|1,0,0]=3 363 B13R2.3 c1ccnc(c1)N2CCNCC2 L05451 [0,1,0,1,0,0|2,0,0]=4 364 B13R2.3 c1cnccc1N2CCNCC2 L19396 [0,1,0,1,0,0|2,0,0]=4 365 B13R2.10 c1ccc(cc1)C2CCC(=O)O2 B24364 [0,1,0,1,0,0|2,0,0]=4 366 B13R2.2931 Cn1cc(c2c1cccc2)CN H34418 [0,1,0,1,0,0|0,0,2]=4 367 B13R2.12 c1cc(ccc1C2CCCN2)Cl H61851 [0,1,0,1,0,0|2,0,0]=4 368 B13R2.12 c1cc(ccc1C2CCCN2)F H61656 [0,1,0,1,0,0|2,0,0]=4 369 B13R2.371 CC1CCC(=O)c2c1cccc2 B21967 [0,1,0,1,0,0|1,0,1]=4 370 B13R2.3201 CC1(CC1(Cl)Cl)c2ccccc2 B25571 [0,1,0,1,0,0|2,0,0]=4 371 B13R2.18 c1ccc(c(c1)C2CCCN2)F H61699 [0,1,0,1,0,0|2,0,0]=4 372 B13R2.18 c1ccc(c(c1)N2CCCC2)O L08178 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.11 CC(c1cccs1)NC H51109 [1,0,0,0,1,0|1,0,0]=3 374 B9R1.11 CCC(C)c1nccs1 A13483 [1,0,0,0,1,0|2,0,0]=4 375 B9R1.12 CCCCC1=CC=CC1 H27576 [1,0,0,0,1,0|1,0,1]=4 376 B9R1.12 CCCCC1=CCC=C1 A16719 [1,0,0,0,1,0|1,0,1]=4 377 B9R1.12 CCCCc1ccco1 A13376 [1,0,0,0,1,0|2,0,0]=4 378 B9R1.12 CCCCc1cccs1 A12740 [1,0,0,0,1,0|2,0,0]=4 379 B9R1.12 CCCCc1ccsc1 H55795 [1,0,0,0,1,0|2,0,0]=4 380 B13R1.42 CCCC(C#Cc1ccccc1)O H53437 [0,0,0,0,0,2|2,0,0]=4