0 B10R1.17 C#CCCc1ccccc1 L12946 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.17 C#CCOc1ccccc1 43923 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 C#CCOc1ccccc1 A18272 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 C1C=CCC(=C1)CCCO H31465 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 C=CCNc1ccccc1 H55821 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 C=CCOc1ccccc1 L03359 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.17 C=CCSc1ccccc1 L04771 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.17 CCC#Cc1ccccc1 A11332 [0,0,0,0,0,0|1,0,2]=3 8 B10R1.17 CCCC[n+]1ccccc1 19740 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.17 CCCC[n+]1ccccc1 H26995 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.17 CCCCc1ccccc1 A10910 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.17 CCNCc1ccccc1 L05651 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.17 CCNCc1cccnc1 H51120 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 CCNCc1ccncc1 L13714 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 CNCCc1ccccn1 H50190 [0,0,0,0,0,0|1,0,0]=1 15 B10R1.17 c1ccc(cc1)C#CCCl H53510 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.17 c1ccc(cc1)C#CCO 43778 [0,0,0,0,0,0|2,0,2]=4 17 B10R1.17 c1ccc(cc1)C#CCO L06337 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.17 c1ccc(cc1)CCC#N L06483 [0,0,0,0,0,0|2,0,0]=2 19 B10R1.17 c1ccc(cc1)CCC=O A10367 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.17 c1ccc(cc1)CCCBr A14050 [0,0,0,0,0,0|2,0,0]=2 21 B10R1.17 c1ccc(cc1)CCCCl B20445 [0,0,0,0,0,0|2,0,0]=2 22 B10R1.17 c1ccc(cc1)CCCI H53420 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.17 c1ccc(cc1)CCCN L03023 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.17 c1ccc(cc1)CCCO A13022 [0,0,0,0,0,0|2,0,0]=2 25 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.17 c1ccc(cc1)CN=C=O L02633 [0,0,0,0,0,0|3,0,0]=3 27 B10R1.17 c1ccc(cc1)CN=C=S A15008 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.17 c1ccc(cc1)CNC=O B23722 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.17 c1ccc(cc1)COC=O L13405 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.17 c1ccc(cc1)COCCl H60207 [0,0,0,0,0,0|3,0,0]=3 32 B10R1.17 c1ccc(cc1)CSC#N B23902 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.17 c1ccc(cc1)NCCN L03786 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.17 c1ccc(cc1)NCCO B22131 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.17 c1ccc(cc1)OCC#N A11981 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.17 c1ccc(cc1)OCCBr B21087 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.17 c1ccc(cc1)OCCCl L11345 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.17 c1ccc(cc1)OCCN A12225 [0,0,0,0,0,0|3,0,0]=3 39 B10R1.17 c1ccc(cc1)OCCO A10786 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.17 c1ccc(cc1)SCC#N A12869 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.17 c1ccc(cc1)SCCBr L11005 [0,0,0,0,0,0|3,0,0]=3 42 B10R1.17 c1ccc(cc1)SCCCl B23265 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.17 c1ccc(cc1)SCCO A10861 [0,0,0,0,0,0|3,0,0]=3 44 B10R1.17 c1ccc(cc1)\C=C\C#N A15301 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.17 c1ccc(cc1)\C=C\C#N B25503 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [0,0,0,0,0,0|2,0,2]=4 50 B9R1.8 C#CCc1ccccc1 H53500 [1,0,0,0,0,0|0,0,2]=3 51 B9R1.8 C=CCc1ccccc1 A12965 [1,0,0,0,0,0|0,0,2]=3 52 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,0,0,0,0|0,0,2]=3 53 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,0|0,0,0]=1 54 B9R1.8 CCNc1ccccc1 A15060 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 CCOc1ccccc1 A15501 [1,0,0,0,0,0|1,0,0]=2 56 B9R1.8 CCOc1ccccn1 L05649 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 CCOc1cnccn1 B25219 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.8 CCSc1ccccc1 A13987 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 CNCc1ccccc1 A13746 [1,0,0,0,0,0|0,0,0]=1 60 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.8 COCc1ccccc1 B23490 [1,0,0,0,0,0|1,0,0]=2 62 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,0,0,0,0|0,0,2]=3 63 B9R1.8 c1cc(cnc1)CC#N B24964 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.8 c1cc(cnc1)CCN L16311 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.8 c1cc[n+](cc1)CC#N A14327 [1,0,0,0,0,0|1,0,2]=4 66 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,0,0,0,0|0,0,2]=3 67 B9R1.8 c1ccc(cc1)CC=O A14263 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 c1ccc(cc1)CCBr A12528 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.8 c1ccc(cc1)CCCl L04891 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.8 c1ccc(cc1)CCN A13402 [1,0,0,0,0,0|0,0,0]=1 71 B9R1.8 c1ccc(cc1)CCO A15241 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,0,0,0,0,0|1,0,0]=2 73 B9R1.8 c1ccc(cc1)CNN H54916 [1,0,0,0,0,0|1,0,0]=2 74 B9R1.8 c1ccc(cc1)CON A17393 [1,0,0,0,0,0|1,0,0]=2 75 B9R1.8 c1ccc(cc1)CON L13601 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,0,0,0,0,0|2,0,1]=4 77 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,0,0,0,0,0|2,0,1]=4 78 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.8 c1ccc(cc1)NC=O A12472 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.8 c1ccc(cc1)OC=O L00289 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,0,0,0,0,0|1,0,2]=4 82 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,0,0,0,0,0|1,0,2]=4 83 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,0,0,0,0,0|1,0,2]=4 84 B9R1.8 c1ccnc(c1)CC#N A13087 [1,0,0,0,0,0|1,0,2]=4 85 B9R1.8 c1ccnc(c1)CCN L05627 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.8 c1ccnc(c1)CCO B23579 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 c1cnc(cn1)CCS A13045 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.8 c1cnccc1CC#N B25095 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.8 c1cnccc1CC#N H64588 [1,0,0,0,0,0|1,0,2]=4 90 B9R1.8 c1cnccc1CCN H27545 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.8 c1cnccc1CCO L13780 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.1 CCCC[n+]1ccc(cc1)C H27100 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.1 CCCC[n+]1ccc(cc1)C H27355 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.1 CCCCc1ccc(cc1)Br B23979 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.1 CCCCc1ccc(cc1)Cl B24138 [0,1,0,0,0,0|1,0,0]=2 96 B11R1.1 CCCCc1ccc(cc1)I A14421 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.1 CCCCc1ccc(cc1)N B25234 [0,1,0,0,0,0|1,0,0]=2 98 B11R1.1 CCCCc1ccc(cc1)O A12812 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.1 CCCOc1ccc(cc1)Br A11462 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.1 CCCOc1ccc(cc1)N H55096 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.1 CCCOc1ccc(cc1)O B22266 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.1 CCNCc1ccc(cc1)F H56689 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.1 COCCc1ccc(cc1)O B23548 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.1 Cc1ccc(cc1)CN=C=S L11135 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.1 Cc1ccc(cc1)OCC#N A19926 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.1 c1cc(ccc1CCC#N)O L07934 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.1 c1cc(ccc1CCCO)Br H61118 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.1 c1cc(ccc1CN=C=S)Cl L09579 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.1 c1cc(ccc1CN=C=S)F L12214 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.1 c1cc(ccc1F)SCC#N B20526 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.1 c1cc(ccc1OCC#N)Br H50595 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.1 c1cc(ccc1OCC#N)Cl A15389 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.1 c1cc(ccc1OCCBr)F H52403 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.1 c1cc(ccc1OCCN)F H31410 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.1 c1cc(ccc1OCCO)Cl A14508 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.1 c1cc(ccc1SCC#N)Cl A12319 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.16 C=CCC(c1ccccc1)O H53466 [0,1,0,0,0,0|1,0,1]=3 118 B11R1.16 CC(c1ccccc1)N=C=S B20011 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.16 CCCC(=O)c1ccccc1 A11345 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.16 CCCC(C)c1ccccc1 B20114 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.16 CCC[C@@H](c1ccccc1)N H27048 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.16 CCC[C@H](c1ccccc1)N H27156 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.16 CCOC(=N)c1ccccc1 L17684 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.16 CCOC(=O)c1ccccc1 44283 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.16 CCOC(=O)c1ccccc1 A13057 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.16 CNCC(c1ccccc1)O L08111 [0,1,0,0,0,0|0,0,0]=1 127 B11R1.16 C[C@@H](c1ccccc1)N=C=O L11141 [0,1,0,0,0,0|3,0,0]=4 128 B11R1.16 C[C@@H](c1ccccc1)N=C=S L19986 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.16 C[C@H](c1ccccc1)N=C=O L10305 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.16 C[C@H](c1ccccc1)N=C=S L20315 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.16 c1ccc(cc1)C(=O)CC#N A14473 [0,1,0,0,0,0|2,0,1]=4 132 B11R1.16 c1ccc(cc1)C(=O)CCCl A12290 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O H55567 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.16 c1ccc(cc1)[C@H](CCCl)O H54847 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.17 CCCOc1c(cccn1)I H50101 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.17 CCNCc1ccccc1F H56127 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.17 COCOc1cccnc1Br H52324 [0,1,0,0,0,0|3,0,0]=4 138 B11R1.17 c1ccc(c(c1)CCCO)Br H63884 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.17 c1ccc(c(c1)CN=C=S)Cl L10546 [0,1,0,0,0,0|3,0,0]=4 140 B11R1.17 c1ccc(c(c1)OCC#N)Br A19354 [0,1,0,0,0,0|3,0,0]=4 141 B11R1.17 c1ccc(c(c1)OCC#N)Cl A11346 [0,1,0,0,0,0|3,0,0]=4 142 B11R1.17 c1ccc(c(c1)OCCN)Cl H50704 [0,1,0,0,0,0|3,0,0]=4 143 B11R1.17 c1ccc(c(c1)OCCN)F H50835 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.17 c1ccc(c(c1)OCCO)Cl L04368 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.24 CCCC[n+]1cccc(c1)C H26983 [0,1,0,0,0,0|2,0,0]=3 146 B11R1.24 CCCC[n+]1cccc(c1)C H27496 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.24 CCNCc1cccc(c1)F H56434 [0,1,0,0,0,0|2,0,0]=3 148 B11R1.24 Cc1cccc(c1)CN=C=S H54893 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.24 Cc1cccc(c1)OCCO L04984 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.24 c1cc(cc(c1)Cl)OCC#N A15730 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.24 c1cc(cc(c1)F)OCCN H51681 [0,1,0,0,0,0|3,0,0]=4 152 B11R1.28 C#CCCCc1ccccc1 L11608 [0,1,0,0,0,0|1,0,1]=3 153 B11R1.28 C#CCOCc1ccccc1 H53481 [0,1,0,0,0,0|1,0,1]=3 154 B11R1.28 C1C=CCC(=C1)CCCCO H36058 [0,1,0,0,0,0|1,0,2]=4 155 B11R1.28 CCCC#Cc1ccccc1 B20857 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.28 CCCCCc1ccccc1 A15734 [0,1,0,0,0,0|1,0,0]=2 157 B11R1.28 CCCCCc1ccccn1 B22125 [0,1,0,0,0,0|2,0,0]=3 158 B11R1.28 CCCCCc1cnccn1 L03039 [0,1,0,0,0,0|3,0,0]=4 159 B11R1.28 CCCCNc1ccccc1 B24180 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.28 CCCCOc1ccccc1 L04703 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.28 CCCCOc1ccccn1 B21651 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.28 CCO\C=N\c1ccccc1 43788 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.28 CNCCOc1ccccc1 H50258 [0,1,0,0,0,0|0,0,0]=1 164 B11R1.28 COCCSc1ccccc1 L10464 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.28 c1ccc(cc1)CCCC#N L01638 [0,1,0,0,0,0|1,0,1]=3 166 B11R1.28 c1ccc(cc1)CCCCBr B25237 [0,1,0,0,0,0|1,0,0]=2 167 B11R1.28 c1ccc(cc1)CCCCCl A11753 [0,1,0,0,0,0|1,0,0]=2 168 B11R1.28 c1ccc(cc1)CCCCN L02982 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.28 c1ccc(cc1)CCCCO A13433 [0,1,0,0,0,0|1,0,0]=2 170 B11R1.28 c1ccc(cc1)CCN=C=S A15123 [0,1,0,0,0,0|0,0,2]=3 171 B11R1.28 c1ccc(cc1)CNCC#N L18566 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.28 c1ccc(cc1)CNCCN A13262 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.28 c1ccc(cc1)CNCCO A16866 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.28 c1ccc(cc1)COCCBr H56872 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.28 c1ccc(cc1)COCCI H35095 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.28 c1ccc(cc1)CSCCO L12274 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.28 c1ccc(cc1)OCCCBr L12494 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.28 c1ccc(cc1)OCCCN H52398 [0,1,0,0,0,0|2,0,0]=3 179 B11R1.28 c1ccc(cc1)SCCCCl B21345 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.40 CC(CN)Oc1ccccc1 H50720 [0,1,0,0,0,0|3,0,0]=4 181 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.40 CCN(C)Cc1ccccc1 L08520 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,1,0,0,0,0|1,0,1]=3 184 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.40 c1ccc(cc1)C\C(=N\O)\N H58835 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.40 c1ccc(cc1)NC(=S)NN A15349 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.91 B(CCc1ccccc1)(O)O H52502 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.91 CC(=C)COc1ccccc1 B22369 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.91 CC(=N)SCc1ccccc1 H51844 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [0,1,0,0,0,0|1,0,2]=4 195 B11R1.91 CC(=O)CCc1ccccc1 B22777 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.91 CC(=O)NCc1cccnc1 B21862 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.91 CC(=O)NNc1ccccc1 A14446 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.91 CC(=O)OCc1ccccc1 B23472 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [0,1,0,0,0,0|1,0,2]=4 200 B11R1.91 CC(C#Cc1ccccc1)O H53450 [0,1,0,0,0,0|1,0,2]=4 201 B11R1.91 CC(C)NCc1ccccc1 B23243 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.91 CC(CCc1ccccc1)N A18804 [0,1,0,0,0,0|1,0,0]=2 203 B11R1.91 CC(CCc1ccccc1)O L05970 [0,1,0,0,0,0|1,0,0]=2 204 B11R1.91 CC(COc1ccccc1)O L04596 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [0,1,0,0,0,0|1,0,0]=2 207 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [0,1,0,0,0,0|2,0,0]=3 210 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.91 c1ccc(cc1)CNC(=S)N L09400 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.91 c1ccc(cc1)CSC(=[NH2+])N A15914 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.91 c1ccc(cc1)OCC(=S)N H26478 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.91 c1cnccc1CCC(=O)O H58655 [0,1,0,0,0,0|3,0,0]=4 223 B11R2.1 B1(c2ccccc2CO1)O L15192 [0,0,0,1,0,0|3,0,0]=4 224 B11R2.1 C[n+]1csc2c1cccc2 L04837 [0,0,0,1,0,0|1,0,2]=4 225 B11R2.1 Cc1c[nH]c2c1cccc2 L03890 [0,0,0,1,0,0|2,0,1]=4 226 B11R2.1 Cc1csc2c1cccc2 A15772 [0,0,0,1,0,0|2,0,1]=4 227 B11R2.1 Cn1c2ccccc2nn1 L00297 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.1 Cn1ccc2c1cccc2 A12605 [0,0,0,1,0,0|0,0,2]=3 229 B11R2.1 Cn1cnc2c1cccc2 B25472 [0,0,0,1,0,0|1,0,1]=3 230 B11R2.1 c1ccc2c(c1)C(=O)CO2 A10202 [0,0,0,1,0,0|3,0,0]=4 231 B11R2.1 c1ccc2c(c1)CCC2=O A11056 [0,0,0,1,0,0|2,0,0]=3 232 B11R2.1 c1ccc2c(c1)CCC2N A16585 [0,0,0,1,0,0|2,0,0]=3 233 B11R2.1 c1ccc2c(c1)CCC2O B24536 [0,0,0,1,0,0|2,0,0]=3 234 B11R2.1 c1ccc2c(c1)CC[C@@H]2N L19303 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.1 c1ccc2c(c1)CC[C@H]2N L19302 [0,0,0,1,0,0|2,0,0]=3 236 B11R2.1 c1ccc2c(c1)COC2=O A15516 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.20 c1ccc2c(c1)CCC=C2 L11430 [0,0,0,1,0,0|1,0,1]=3 238 B11R2.20 c1ccc2c(c1)CCCC2 A14962 [0,0,0,1,0,0|1,0,0]=2 239 B11R2.20 c1ccc2c(c1)CCCN2 B22750 [0,0,0,1,0,0|2,0,0]=3 240 B11R2.20 c1ccc2c(c1)CCNC2 L08143 [0,0,0,1,0,0|0,0,0]=1 241 B11R2.20 c1ccc2c(c1)CCOC2 A12566 [0,0,0,1,0,0|1,0,0]=2 242 B11R2.20 c1ccc2c(c1)NCCN2 H55473 [0,0,0,1,0,0|3,0,0]=4 243 B11R2.20 c1ccc2c(c1)NCCO2 H33641 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.20 c1ccc2c(c1)NCCS2 H61045 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.20 c1ccc2c(c1)OCCO2 A17558 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.20 c1cnc2c(n1)CCCC2 L11204 [0,0,0,1,0,0|3,0,0]=4 247 B11R2.238 c1ccc(cc1)SC2CC2 L12321 [0,0,0,1,0,0|2,0,0]=3 248 B9R1.12 CCCCC1=CC=CC1 H27576 [0,0,0,0,1,0|1,0,1]=3 249 B9R1.12 CCCCC1=CCC=C1 A16719 [0,0,0,0,1,0|1,0,1]=3 250 B9R1.12 CCCCc1ccco1 A13376 [0,0,0,0,1,0|2,0,0]=3 251 B9R1.12 CCCCc1cccs1 A12740 [0,0,0,0,1,0|2,0,0]=3 252 B9R1.12 CCCCc1ccsc1 H55795 [0,0,0,0,1,0|2,0,0]=3 253 B9R1.12 CCCCn1ccnc1 L07793 [0,0,0,0,1,0|3,0,0]=4 254 B8R0.4 CCC\C=C\C=C\CO A16820 [1,0,1,0,0,0|1,0,1]=4 255 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 256 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,2]=4 257 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,2]=4 258 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,0]=2 260 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,0]=3 263 B8R1.2 CCc1cnccn1 A12759 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|0,0,0]=2 265 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|1,0,0]=3 266 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|1,0,0]=3 267 B8R1.2 CNc1ccncc1 L19626 [2,0,0,0,0,0|1,0,0]=3 268 B8R1.2 CNc1ncccn1 H65564 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|1,0,0]=3 270 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.2 COc1ccncc1 L19625 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|1,0,0]=3 273 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|0,0,1]=3 274 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 276 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|2,0,0]=4 277 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|1,0,0]=3 278 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|0,0,2]=4 280 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|0,0,2]=4 281 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|0,0,2]=4 282 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|1,0,1]=4 283 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|1,0,1]=4 284 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|1,0,1]=4 285 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,0]=3 287 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|0,0,0]=2 288 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|0,0,0]=2 289 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|0,0,0]=2 290 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|1,0,0]=3 291 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|1,0,0]=3 292 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|1,0,0]=3 293 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|1,0,0]=3 294 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|1,0,0]=3 295 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,0]=3 296 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,0]=3 297 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,0]=3 298 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|1,0,0]=3 300 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|1,0,0]=3 301 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|1,1,0]=4 302 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.2 c1ccnc(c1)CCl A10226 [2,0,0,0,0,0|2,0,0]=4 305 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|1,0,0]=3 306 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.2 c1cnccc1CCl A12859 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.2 c1cnccc1CN L06345 [2,0,0,0,0,0|1,0,0]=3 309 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|2,0,0]=4 310 B8R1.2 c1cncnc1CN H32582 [2,0,0,0,0,0|2,0,0]=4 311 B10R0.71 CCCCC\C=C\C=C\C=O L06103 [0,1,1,0,0,0|1,0,1]=4 312 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,1,0,0,0,0|0,0,0]=2 313 B10R1.1 CCCc1ccc(cc1)I L05767 [1,1,0,0,0,0|0,0,0]=2 314 B10R1.1 CCCc1ccc(cc1)N L03880 [1,1,0,0,0,0|0,0,0]=2 315 B10R1.1 CCCc1ccc(cc1)O A15342 [1,1,0,0,0,0|0,0,0]=2 316 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,1,0,0,0,0|0,0,0]=2 317 B10R1.1 CCCc1cnc(nc1)Cl H27409 [1,1,0,0,0,0|2,0,0]=4 318 B10R1.1 CCCc1cnc(nc1)S H27239 [1,1,0,0,0,0|2,0,0]=4 319 B10R1.1 CCOc1ccc(cc1)Br B21398 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.1 CCOc1ccc(cc1)I B21644 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.1 CCOc1ccc(cc1)N A10416 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.1 CCOc1ccc(cc1)O B20584 [1,1,0,0,0,0|1,0,0]=3 323 B10R1.1 CCOc1ccc(cn1)Br H27197 [1,1,0,0,0,0|2,0,0]=4 324 B10R1.1 CCOc1ccc(cn1)I H50156 [1,1,0,0,0,0|2,0,0]=4 325 B10R1.1 CCSc1ccc(cc1)Br L13718 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,1,0,0,0,0|0,0,0]=2 327 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.1 CNCc1ccc(cc1)F H54369 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.1 Cc1ccc(cc1)CC#N A12169 [1,1,0,0,0,0|0,0,2]=4 330 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.1 c1cc(ccc1CC#N)Br A10887 [1,1,0,0,0,0|0,0,2]=4 332 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [1,1,0,0,0,0|0,0,2]=4 333 B10R1.1 c1cc(ccc1CC#N)F A14290 [1,1,0,0,0,0|0,0,2]=4 334 B10R1.1 c1cc(ccc1CC#N)I L15119 [1,1,0,0,0,0|0,0,2]=4 335 B10R1.1 c1cc(ccc1CC#N)N A11304 [1,1,0,0,0,0|0,0,2]=4 336 B10R1.1 c1cc(ccc1CC#N)O A10971 [1,1,0,0,0,0|0,0,2]=4 337 B10R1.1 c1cc(ccc1CCCl)F L16719 [1,1,0,0,0,0|1,0,0]=3 338 B10R1.1 c1cc(ccc1CCN)Br H63706 [1,1,0,0,0,0|0,0,0]=2 339 B10R1.1 c1cc(ccc1CCN)Cl H63081 [1,1,0,0,0,0|0,0,0]=2 340 B10R1.1 c1cc(ccc1CCN)F H61791 [1,1,0,0,0,0|0,0,0]=2 341 B10R1.1 c1cc(ccc1CCN)N L15782 [1,1,0,0,0,0|0,0,0]=2 342 B10R1.1 c1cc(ccc1CCN)O A12220 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.1 c1cc(ccc1CCO)Br A14143 [1,1,0,0,0,0|1,0,0]=3 344 B10R1.1 c1cc(ccc1CCO)F L05618 [1,1,0,0,0,0|1,0,0]=3 345 B10R1.1 c1cc(ccc1CCO)N L15223 [1,1,0,0,0,0|1,0,0]=3 346 B10R1.1 c1cc(ccc1CCO)O A14891 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.4 C=CCc1ccccc1O A10755 [1,1,0,0,0,0|0,0,2]=4 348 B10R1.4 CCCc1c(nccn1)C B22013 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|0,0,0]=2 350 B10R1.4 CCNc1ccccc1C A11315 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.4 CCOc1c(cccn1)Br H27690 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.4 CCOc1c(cccn1)I H50100 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.4 CCOc1ccccc1O B24755 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.4 CNCc1ccccc1Br H63390 [1,1,0,0,0,0|0,0,0]=2 355 B10R1.4 CNCc1ccccc1Cl H54680 [1,1,0,0,0,0|0,0,0]=2 356 B10R1.4 CNCc1ccccc1F H54439 [1,1,0,0,0,0|0,0,0]=2 357 B10R1.4 Cc1ccccc1CC#N A14787 [1,1,0,0,0,0|0,0,2]=4 358 B10R1.4 Cc1ccccc1CCN H28320 [1,1,0,0,0,0|0,0,0]=2 359 B10R1.4 Cc1ccccc1CNC H63956 [1,1,0,0,0,0|0,0,0]=2 360 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,1,0,0,0,0|0,0,2]=4 361 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,1,0,0,0,0|0,0,2]=4 362 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,1,0,0,0,0|0,0,2]=4 363 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,1,0,0,0,0|0,0,2]=4 364 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,1,0,0,0,0|0,0,2]=4 365 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,1,0,0,0,0|0,0,0]=2 366 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,1,0,0,0,0|1,0,0]=3 367 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,1,0,0,0,0|1,0,1]=4 368 B10R1.10 CCCc1cccc(c1)O B21266 [1,1,0,0,0,0|0,0,0]=2 369 B10R1.10 CCOc1cccc(c1)Br B21418 [1,1,0,0,0,0|1,0,0]=3 370 B10R1.10 CCOc1cccc(c1)O B24266 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.10 CCOc1cccc(n1)Cl B24984 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.10 CNCc1cccc(c1)Br H54294 [1,1,0,0,0,0|0,0,0]=2 373 B10R1.10 CNCc1cccc(c1)Cl H54986 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.10 CNCc1cccc(c1)F H56177 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.10 Cc1cccc(c1)CC#N A10558 [1,1,0,0,0,0|0,0,2]=4 376 B10R1.10 Cc1cccc(c1)CNC H63231 [1,1,0,0,0,0|0,0,0]=2 377 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [1,1,0,0,0,0|0,0,2]=4 378 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [1,1,0,0,0,0|0,0,2]=4 379 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [1,1,0,0,0,0|0,0,2]=4 380 B10R1.10 c1cc(cc(c1)F)CCN H64762 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [1,1,0,0,0,0|0,0,2]=4 382 B10R1.15 C#CC(c1ccccc1)O L09549 [1,1,0,0,0,0|0,0,2]=4 383 B10R1.15 CC(C#N)c1ccccc1 A13636 [1,1,0,0,0,0|0,0,2]=4 384 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|1,0,1]=4 385 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.15 CC(CN)c1ccccc1 H36338 [1,1,0,0,0,0|0,0,0]=2 387 B10R1.15 CC(CO)c1ccccc1 B23473 [1,1,0,0,0,0|1,0,0]=3 388 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,1,0,0,0,0|0,0,1]=3 389 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,1,0,0,0,0|1,0,1]=4 390 B10R1.15 CCC(=O)c1ccncc1 L11552 [1,1,0,0,0,0|1,0,1]=4 391 B10R1.15 CCC(C)c1ccccc1 B22962 [1,1,0,0,0,0|0,0,0]=2 392 B10R1.15 CCC(c1ccccc1)O A10830 [1,1,0,0,0,0|0,0,0]=2 393 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,1,0,0,0,0|0,0,0]=2 394 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,1,0,0,0,0|0,0,0]=2 395 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,1,0,0,0,0|0,0,0]=2 397 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,1,0,0,0,0|0,0,1]=3 398 B10R1.15 COC(=O)c1ccccc1 44368 [1,1,0,0,0,0|1,0,1]=4 399 B10R1.15 COC(=O)c1ccccc1 A12404 [1,1,0,0,0,0|1,0,1]=4 400 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,1,0,0,0,0|1,0,0]=3 401 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,1,0,0,0,0|1,0,0]=3 402 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,1,0,0,0,0|1,0,1]=4 403 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,1,0,0,0,0|1,0,1]=4 404 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,1,0,0,0,0|0,0,1]=3 405 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|1,0,1]=4 406 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,1,0,0,0,0|1,0,1]=4 407 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [1,1,0,0,0,0|1,0,1]=4 408 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [1,1,0,0,0,0|0,0,2]=4 409 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [1,1,0,0,0,0|1,0,0]=3 410 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,1,0,0,0,0|1,0,0]=3 411 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,1,0,0,0,0|0,0,0]=2 412 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [1,1,0,0,0,0|0,0,2]=4 414 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,1,0,0,0,0|0,0,0]=2 415 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,1,0,0,0,0|1,0,0]=3 417 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [1,1,0,0,0,0|0,0,2]=4 418 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,1,0,0,0,0|0,0,0]=2 419 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.18 CC(=C)Cc1ccccc1 B20370 [1,1,0,0,0,0|0,0,1]=3 422 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [1,1,0,0,0,0|1,0,1]=4 423 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [1,1,0,0,0,0|1,0,1]=4 424 B10R1.18 CC(=O)Cc1ccncc1 L18667 [1,1,0,0,0,0|1,0,1]=4 425 B10R1.18 CC(=O)Nc1ccccc1 A14361 [1,1,0,0,0,0|1,0,1]=4 426 B10R1.18 CC(=O)Oc1ccccc1 B22561 [1,1,0,0,0,0|1,0,1]=4 427 B10R1.18 CC(=O)Oc1ccccc1 L19598 [1,1,0,0,0,0|1,0,1]=4 428 B10R1.18 CC(=O)Sc1ccccc1 H55175 [1,1,0,0,0,0|1,0,1]=4 429 B10R1.18 CC(C)Cc1ccccn1 B22349 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.18 CC(C)Cc1cccnc1 B22080 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.18 CC(C)Cc1cnccn1 A10245 [1,1,0,0,0,0|2,0,0]=4 432 B10R1.18 CC(C)Nc1ccccc1 L10646 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.18 CC(C)Sc1ccccc1 A17124 [1,1,0,0,0,0|1,0,0]=3 434 B10R1.18 CN(C)Cc1ccccc1 A12191 [1,1,0,0,0,0|0,0,0]=2 435 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [1,1,0,0,0,0|0,1,0]=3 436 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [1,1,0,0,0,0|1,0,1]=4 437 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [1,1,0,0,0,0|1,0,1]=4 438 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [1,1,0,0,0,0|1,0,1]=4 439 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [1,1,0,0,0,0|0,0,1]=3 440 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [1,1,0,0,0,0|1,0,1]=4 441 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [1,1,0,0,0,0|0,0,1]=3 442 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [1,1,0,0,0,0|1,0,1]=4 443 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [1,1,0,0,0,0|1,0,1]=4 444 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [1,1,0,0,0,0|1,0,1]=4 445 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [1,1,0,0,0,0|1,0,1]=4 446 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [1,1,0,0,0,0|1,0,1]=4 447 B10R1.18 c1cnccc1CC(=O)N B24734 [1,1,0,0,0,0|1,0,1]=4 448 B10R1.16 CCCCc1ccc(s1)C B24943 [0,1,0,0,1,0|2,0,0]=4 449 B10R1.21 CCCCCc1ccco1 A11607 [0,1,0,0,1,0|2,0,0]=4 450 B10R1.21 CCCCCc1cccs1 B21885 [0,1,0,0,1,0|2,0,0]=4 451 B12R1.1 CCCCCc1ccc(cc1)Br A14457 [0,2,0,0,0,0|1,0,0]=3 452 B12R1.1 CCCCCc1ccc(cc1)I H27356 [0,2,0,0,0,0|1,0,0]=3 453 B12R1.1 CCCCCc1ccc(cc1)N H26569 [0,2,0,0,0,0|1,0,0]=3 454 B12R1.1 CCCCCc1ccc(cc1)O A11514 [0,2,0,0,0,0|1,0,0]=3 455 B12R1.1 CCCCOc1ccc(cc1)N A17528 [0,2,0,0,0,0|1,0,0]=3 456 B12R1.1 CCCCOc1ccc(cc1)O A12076 [0,2,0,0,0,0|1,0,0]=3 457 B12R1.1 CCCNCc1ccc(cc1)F H56563 [0,2,0,0,0,0|1,0,0]=3 458 B12R1.1 c1cc(ccc1CCN=C=S)Cl L11307 [0,2,0,0,0,0|0,0,2]=4 459 B12R1.1 c1cc(ccc1CSCCO)Cl L10158 [0,2,0,0,0,0|2,0,0]=4 460 B12R1.1 c1cc(ccc1OCCCCl)F B24423 [0,2,0,0,0,0|2,0,0]=4 461 B12R1.16 C=CCC(c1ccc(cc1)Cl)O H53381 [0,2,0,0,0,0|1,0,1]=4 462 B12R1.16 CCCC(=O)c1ccc(cc1)Cl A14531 [0,2,0,0,0,0|1,0,1]=4 463 B12R1.16 CCCC(=O)c1ccc(cc1)F H26034 [0,2,0,0,0,0|1,0,1]=4 464 B12R1.16 CNCC(c1ccc(cc1)F)O H50796 [0,2,0,0,0,0|0,0,0]=2 465 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [0,2,0,0,0,0|1,0,0]=3 466 B12R1.21 CC(=O)CSc1ccc(cc1)F B20094 [0,2,0,0,0,0|2,0,0]=4 467 B12R1.21 CC(C)NCc1ccc(cc1)F H56659 [0,2,0,0,0,0|2,0,0]=4 468 B12R1.21 Cc1ccc(cc1)CCC(=O)O A14513 [0,2,0,0,0,0|2,0,0]=4 469 B12R1.21 Cc1ccc(cc1)COC(=O)C B22318 [0,2,0,0,0,0|2,0,0]=4 470 B12R1.21 Cc1ccc(cc1)SCC(=O)C B20247 [0,2,0,0,0,0|2,0,0]=4 471 B12R1.21 c1cc(ccc1CCC(=O)O)Br H26785 [0,2,0,0,0,0|2,0,0]=4 472 B12R1.21 c1cc(ccc1CCC(=O)O)Cl H50204 [0,2,0,0,0,0|2,0,0]=4 473 B12R1.21 c1cc(ccc1CCC(=O)O)F L17008 [0,2,0,0,0,0|2,0,0]=4 474 B12R1.21 c1cc(ccc1CCC(=O)O)N L19330 [0,2,0,0,0,0|2,0,0]=4 475 B12R1.21 c1cc(ccc1CCC(=O)O)O A14567 [0,2,0,0,0,0|2,0,0]=4 476 B12R1.49 COC(=O)Cc1ccc(cc1)F H32236 [0,2,0,0,0,0|1,0,1]=4 477 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [0,2,0,0,0,0|1,0,1]=4 478 B12R1.69 CCCOc1ccc(cc1F)Br H31660 [0,2,0,0,0,0|2,0,0]=4 479 B12R1.71 CCCCc1ccc(cc1)C#N A19174 [0,2,0,0,0,0|1,0,0]=3 480 B12R1.71 CCCCc1ccc(cc1)C=O L13438 [0,2,0,0,0,0|1,0,0]=3 481 B12R1.71 CCCCc1ccc(cc1)CN B22316 [0,2,0,0,0,0|1,0,0]=3 482 B12R1.71 CCCOc1ccc(cc1)C=O L08822 [0,2,0,0,0,0|2,0,0]=4 483 B12R1.71 CCNCc1ccc(cc1)OC H55045 [0,2,0,0,0,0|2,0,0]=4 484 B12R1.30 CC(c1ccccc1)NCCO H50261 [0,2,0,0,0,0|2,0,0]=4 485 B12R1.30 CCCCC(=O)c1ccccc1 A10525 [0,2,0,0,0,0|1,0,0]=3 486 B12R1.30 CCCCC(c1ccccc1)O L04646 [0,2,0,0,0,0|1,0,0]=3 487 B12R1.30 CN(CCC#N)c1ccccc1 L11162 [0,2,0,0,0,0|2,0,0]=4 488 B12R1.30 c1ccc(cc1)C(=O)CCCCl L06383 [0,2,0,0,0,0|1,0,1]=4 489 B12R1.34 COC(=O)C(c1ccccc1)Br L09043 [0,2,0,0,0,0|1,0,1]=4 490 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [0,2,0,0,0,0|1,0,1]=4 491 B12R1.34 COC(=O)[C@@H](c1ccccc1)N L18735 [0,2,0,0,0,0|1,0,1]=4 492 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [0,2,0,0,0,0|1,0,1]=4 493 B12R1.34 COC(=O)[C@H](c1ccccc1)N H62874 [0,2,0,0,0,0|1,0,1]=4 494 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [0,2,0,0,0,0|1,0,1]=4 495 B12R1.34 c1ccc(cc1)C(C(=O)NN)O L11653 [0,2,0,0,0,0|1,0,1]=4 496 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)N)O 42183 [0,2,0,0,0,0|2,0,0]=4 497 B12R1.39 CC(CC=C)(c1ccccc1)O B20248 [0,2,0,0,0,0|1,0,1]=4 498 B12R1.39 CCCC(C)(c1ccccc1)O B20854 [0,2,0,0,0,0|1,0,0]=3 499 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,2,0,0,0,0|1,0,1]=4 500 B12R1.107 CC(CC(=O)O)c1ccccc1 L08078 [0,2,0,0,0,0|2,0,0]=4 501 B12R1.107 C[C@@H](c1ccccc1)NC(C)C L18355 [0,2,0,0,0,0|2,0,0]=4 502 B12R1.107 C[C@H](c1ccccc1)NC(C)C L18354 [0,2,0,0,0,0|2,0,0]=4 503 B12R1.107 c1ccc(cc1)C(CC(=O)O)N L19801 [0,2,0,0,0,0|2,0,0]=4 504 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N H52034 [0,2,0,0,0,0|2,0,0]=4 505 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [0,2,0,0,0,0|2,0,0]=4 506 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [0,2,0,0,0,0|2,0,0]=4 507 B12R1.121 CCCOc1ccccc1C=O H50473 [0,2,0,0,0,0|2,0,0]=4 508 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,2,0,0,0,0|2,0,0]=4 509 B12R1.125 CC(C)NCc1ccccc1F H56639 [0,2,0,0,0,0|2,0,0]=4 510 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,2,0,0,0,0|2,0,0]=4 511 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,2,0,0,0,0|2,0,0]=4 512 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,2,0,0,0,0|2,0,0]=4 513 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,2,0,0,0,0|2,0,0]=4 514 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,2,0,0,0,0|2,0,0]=4 515 B12R1.267 CCCNCc1ccccc1F H56513 [0,2,0,0,0,0|1,0,0]=3 516 B12R1.267 c1ccc(c(c1)CSCCN)Cl H33983 [0,2,0,0,0,0|2,0,0]=4 517 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [0,2,0,0,0,0|1,0,1]=4 518 B12R1.374 COCOc1cc(ccc1F)F H32630 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.28 CCCNCc1cccc(c1)F H56794 [0,2,0,0,0,0|1,0,0]=3 520 B12R1.226 CC(C)NCc1cccc(c1)F H56383 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.226 Cc1cccc(c1)CCC(=O)O H34395 [0,2,0,0,0,0|2,0,0]=4 522 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O L18080 [0,2,0,0,0,0|2,0,0]=4 523 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O H33266 [0,2,0,0,0,0|2,0,0]=4 524 B12R1.226 c1cc(cc(c1)F)CCC(=O)O H27847 [0,2,0,0,0,0|2,0,0]=4 525 B12R1.226 c1cc(cc(c1)N)CCC(=O)O L19329 [0,2,0,0,0,0|2,0,0]=4 526 B12R1.226 c1cc(cc(c1)O)CCC(=O)O L01279 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.382 CCCOc1cccc(c1)C=O H33115 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.8 CC#CCCCc1ccccc1 B20019 [0,2,0,0,0,0|1,0,0]=3 529 B12R1.8 CCCCCCc1ccccc1 A12821 [0,2,0,0,0,0|1,0,0]=3 530 B12R1.8 CCCCCCc1ccccn1 A12772 [0,2,0,0,0,0|2,0,0]=4 531 B12R1.8 CCCCCCc1cccnc1 B21775 [0,2,0,0,0,0|2,0,0]=4 532 B12R1.8 CCCCNCc1ccccc1 A17851 [0,2,0,0,0,0|1,0,0]=3 533 B12R1.8 CCCCOCc1ccccc1 L11747 [0,2,0,0,0,0|1,0,0]=3 534 B12R1.8 CCCNCCc1ccccn1 H50255 [0,2,0,0,0,0|1,0,0]=3 535 B12R1.8 c1ccc(cc1)CCCCCCl L08707 [0,2,0,0,0,0|1,0,0]=3 536 B12R1.8 c1ccc(cc1)CCCCCO L12070 [0,2,0,0,0,0|1,0,0]=3 537 B12R1.8 c1ccc(cc1)CCCN=C=S L10931 [0,2,0,0,0,0|0,0,2]=4 538 B12R1.8 c1ccc(cc1)CNCCC#N 41949 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.8 c1ccc(cc1)CNCCCN H65635 [0,2,0,0,0,0|1,0,0]=3 540 B12R1.8 c1ccc(cc1)CNCCCO H26664 [0,2,0,0,0,0|1,0,0]=3 541 B12R1.8 c1ccc(cc1)COCCCBr H66278 [0,2,0,0,0,0|1,0,0]=3 542 B12R1.8 c1ccc(cc1)OCCCCBr A14956 [0,2,0,0,0,0|1,0,0]=3 543 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.27 CCC(C#Cc1ccccc1)O H53416 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.27 COC(=O)CCc1ccccc1 L05310 [0,2,0,0,0,0|1,0,0]=3 546 B12R1.27 COC(=O)CCc1cccnc1 L14590 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.27 COC(=O)CSc1ccccc1 L12649 [0,2,0,0,0,0|1,0,1]=4 548 B12R1.27 c1ccc(cc1)CNC(=S)NN L10920 [0,2,0,0,0,0|1,0,1]=4 549 B12R1.27 c1ccc(cc1)COC(=O)CBr A17630 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [0,2,0,0,0,0|2,0,0]=4 552 B12R1.27 c1ccc(cc1)COC(=O)NN A13005 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.27 c1ccc(cc1)COC(=O)NO L13175 [0,2,0,0,0,0|1,0,1]=4 554 B12R1.27 c1ccc(cc1)OCC(CN)O H50245 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.27 c1ccc(cc1)OCC(CO)O B25701 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [0,2,0,0,0,0|1,0,1]=4 557 B12R1.252 CC(=O)CSCc1ccccc1 L03814 [0,2,0,0,0,0|1,0,0]=3 558 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [0,2,0,0,0,0|1,0,0]=3 559 B12R1.252 CC(CNCc1ccccc1)O H50329 [0,2,0,0,0,0|1,0,0]=3 560 B12R1.252 C[C@@H](COCc1ccccc1)O H60523 [0,2,0,0,0,0|1,0,0]=3 561 B12R1.252 c1ccc(cc1)CCCC(=O)Cl H50388 [0,2,0,0,0,0|1,0,1]=4 562 B12R1.252 c1ccc(cc1)CCCC(=O)O A18115 [0,2,0,0,0,0|1,0,1]=4 563 B12R1.252 c1ccc(cc1)CCNC(=S)N L10520 [0,2,0,0,0,0|0,0,1]=3 564 B12R1.252 c1ccc(cc1)CNCC(=O)O L15200 [0,2,0,0,0,0|2,0,0]=4 565 B12R1.252 c1ccc(cc1)CNCC(=O)O L15368 [0,2,0,0,0,0|2,0,0]=4 566 B12R1.252 c1ccc(cc1)COCC(=O)Cl L14337 [0,2,0,0,0,0|2,0,0]=4 567 B12R1.252 c1ccc(cc1)COCC(=O)O H54581 [0,2,0,0,0,0|2,0,0]=4 568 B12R1.252 c1ccc(cc1)CSCC(=O)O A18698 [0,2,0,0,0,0|2,0,0]=4 569 B12R1.252 c1ccc(cc1)OCCC(=O)O A17842 [0,2,0,0,0,0|2,0,0]=4 570 B12R1.252 c1ccnc(c1)CCNC(=S)N L10843 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.43 CC(C)C(=O)Cc1ccccc1 L07176 [0,2,0,0,0,0|1,0,1]=4 572 B12R1.43 c1ccc(cc1)CC(C(=O)O)N A10132 [0,2,0,0,0,0|2,0,0]=4 573 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [0,2,0,0,0,0|2,0,0]=4 574 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H62030 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H65506 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N A13238 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N H65853 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N A10572 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.118 COC(Cc1ccccc1)OC A18730 [0,2,0,0,0,0|1,0,0]=3 582 B12R1.194 CO[Si](C)(C)Cc1ccccc1 H28574 [0,2,0,0,0,0|1,1,0]=4 583 B12R1.891 CC(C)(C)NCc1ccccc1 L01146 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.891 [B-](CCc1ccccc1)(F)(F)F H25930 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl H35462 [0,2,0,0,0,0|2,0,0]=4 586 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|1,0,0]=3 587 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|1,0,0]=3 588 B10R2.7 c1cc2c(nc1)CCC2 H25896 [1,0,0,1,0,0|1,0,0]=3 589 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,1,0,0|1,0,0]=3 590 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|0,0,2]=4 591 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|0,0,2]=4 592 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,1,0,0|0,0,0]=2 593 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,1,0,0|0,0,0]=2 594 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|1,0,0]=3 595 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|0,0,0]=2 596 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|1,0,0]=3 597 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|1,0,0]=3 598 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|2,0,0]=4 599 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,1,0,0|1,0,1]=4 600 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [1,0,0,1,0,0|2,0,0]=4 601 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|0,0,2]=4 602 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,1,0,0|1,0,1]=4 603 B12R2.24 CC1CNc2ccccc2O1 H61002 [0,1,0,1,0,0|2,0,0]=4 604 B12R2.24 CC1CNc2ccccc2S1 H61005 [0,1,0,1,0,0|2,0,0]=4 605 B12R2.24 Cc1ccc2c(c1)CCCN2 A15245 [0,1,0,1,0,0|2,0,0]=4 606 B12R2.24 c1cc2c(cc1Br)CCNC2 H63527 [0,1,0,1,0,0|0,0,0]=2 607 B12R2.24 c1cc2c(cc1Br)CNCC2 B25712 [0,1,0,1,0,0|0,0,0]=2 608 B12R2.24 c1cc2c(cc1Br)CNCC2 H63278 [0,1,0,1,0,0|0,0,0]=2 609 B12R2.24 c1cc2c(cc1Cl)CCNC2 H63786 [0,1,0,1,0,0|0,0,0]=2 610 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63456 [0,1,0,1,0,0|0,0,0]=2 611 B12R2.24 c1cc2c(cc1Cl)CNCC2 H63693 [0,1,0,1,0,0|0,0,0]=2 612 B12R2.24 c1cc2c(cc1F)CCCN2 H35364 [0,1,0,1,0,0|2,0,0]=4 613 B12R2.24 c1cc2c(cc1N)CCNC2 H66983 [0,1,0,1,0,0|0,0,0]=2 614 B12R2.24 c1cc2c(cc1O)CCCC2 L10164 [0,1,0,1,0,0|1,0,0]=3 615 B12R2.24 c1cc2c(cc1O)CCNC2 H64512 [0,1,0,1,0,0|0,0,0]=2 616 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,1,0,1,0,0|1,0,0]=3 617 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,1,0,1,0,0|2,0,0]=4 618 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,1,0,1,0,0|2,0,0]=4 619 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,1,0,1,0,0|1,0,0]=3 620 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,1,0,1,0,0|1,0,1]=4 621 B12R2.132 Cc1ccc2c(c1)C(=O)CC2 L17559 [0,1,0,1,0,0|2,0,0]=4 622 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 H54003 [0,1,0,1,0,0|2,0,0]=4 623 B12R2.132 c1cc2c(cc1F)C(=O)CC2 L17095 [0,1,0,1,0,0|2,0,0]=4 624 B12R2.2 c1cc(cnc1)C2CCCN2 L10809 [0,1,0,1,0,0|2,0,0]=4 625 B12R2.2 c1ccc(cc1)C2NCCS2 H62823 [0,1,0,1,0,0|2,0,0]=4 626 B12R2.2 c1ccc(cc1)N2CCCC2 L05239 [0,1,0,1,0,0|1,0,0]=3 627 B12R2.2 c1ccnc(c1)C2CCCN2 H50176 [0,1,0,1,0,0|2,0,0]=4 628 B12R2.2 c1cnccc1C2CCCN2 H26051 [0,1,0,1,0,0|2,0,0]=4 629 B12R2.2 c1cnccc1N2CCCC2 B23989 [0,1,0,1,0,0|2,0,0]=4 630 B12R2.1081 B1(c2ccccc2CCO1)O H52672 [0,1,0,1,0,0|2,0,0]=4 631 B12R2.1081 CC1c2ccccc2CCN1 H64191 [0,1,0,1,0,0|0,0,0]=2 632 B12R2.1081 c1cc2c(c(c1)O)CCCC2 L02416 [0,1,0,1,0,0|1,0,0]=3 633 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 A11242 [0,1,0,1,0,0|2,0,0]=4 634 B12R2.1081 c1ccc2c(c1)C(CCO2)O A14940 [0,1,0,1,0,0|2,0,0]=4 635 B12R2.1081 c1ccc2c(c1)CCCC2=O A13303 [0,1,0,1,0,0|1,0,1]=4 636 B12R2.1081 c1ccc2c(c1)CCCC2N B25673 [0,1,0,1,0,0|1,0,0]=3 637 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N L17022 [0,1,0,1,0,0|1,0,0]=3 638 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N L17021 [0,1,0,1,0,0|1,0,0]=3 639 B12R2.1081 c1ccc2c(c1)COCC2=O H61539 [0,1,0,1,0,0|1,0,1]=4 640 B12R2.1081 c1ccc2c(c1)CSCC2=O L07948 [0,1,0,1,0,0|1,0,1]=4 641 B12R2.2028 Cn1c2ccccc2c(n1)N H34285 [0,1,0,1,0,0|1,0,1]=4 642 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 L02218 [0,1,0,1,0,0|1,0,1]=4 643 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,1,0,1,0,0|1,0,1]=4 644 B12R2.32 c1ccc2c(c1)CC(C2)CN H66610 [0,1,0,1,0,0|2,0,0]=4 645 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO H27711 [0,1,0,1,0,0|2,0,0]=4 646 B12R2.196 Cn1ccc2c1cccc2Br H66535 [0,1,0,1,0,0|0,0,2]=4 647 B12R2.196 c1cc2c(c(c1)Br)CCC2=O H56937 [0,1,0,1,0,0|2,0,0]=4 648 B12R2.196 c1cc2c(c(c1)F)CCC2=O H59356 [0,1,0,1,0,0|2,0,0]=4 649 B12R2.196 c1cc2c(c(c1)O)CCC2=O H56184 [0,1,0,1,0,0|2,0,0]=4 650 B12R2.203 c1cc2c(c(c1)O)C(=O)CC2 H66850 [0,1,0,1,0,0|2,0,0]=4 651 B12R2.612 Cc1ccc2c(c1)CCC2=O H66814 [0,1,0,1,0,0|2,0,0]=4 652 B12R2.612 Cn1cnc2c1ccc(c2)N H66465 [0,1,0,1,0,0|1,0,1]=4 653 B12R2.612 c1cc2c(cc1Br)CCC2=O B25707 [0,1,0,1,0,0|2,0,0]=4 654 B12R2.612 c1cc2c(cc1Cl)CCC2=O A18308 [0,1,0,1,0,0|2,0,0]=4 655 B12R2.612 c1cc2c(cc1F)CCC2=O L10949 [0,1,0,1,0,0|2,0,0]=4 656 B12R2.612 c1cc2c(cc1N)CCC2=O H66425 [0,1,0,1,0,0|2,0,0]=4 657 B12R2.2057 c1ccc(cc1)OCC2CO2 B21768 [0,1,0,1,0,0|1,0,0]=3 658 B12R2.18 Cn1c2ccccc2nc1Br H60075 [0,1,0,1,0,0|1,0,1]=4 659 B12R2.18 Cn1c2ccccc2nc1Cl H63559 [0,1,0,1,0,0|1,0,1]=4 660 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,1,0,1,0,0|2,0,0]=4 661 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,1,0,1,0,0|2,0,0]=4 662 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [0,1,0,1,0,0|2,0,0]=4 663 B12R2.92 CC1(CC1c2ccccc2)C B21271 [0,1,0,1,0,0|1,0,0]=3 664 B12R2.92 c1ccc(cc1)C2CC2(Cl)Cl A12279 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.8 CCCc1ccco1 B21703 [1,0,0,0,1,0|1,0,0]=3 666 B8R1.8 CCCc1cccs1 L03052 [1,0,0,0,1,0|1,0,0]=3 667 B8R1.8 CCCc1nccs1 A11574 [1,0,0,0,1,0|2,0,0]=4 668 B8R1.8 CSCc1ccco1 B21691 [1,0,0,0,1,0|2,0,0]=4 669 B8R1.8 c1c(nc[nH]1)CCN L09198 [1,0,0,0,1,0|2,0,0]=4 670 B8R1.8 c1cc(sc1)CCN A10920 [1,0,0,0,1,0|1,0,0]=3 671 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,0,1,0|2,0,0]=4 672 B8R1.8 c1cscc1CCO L15138 [1,0,0,0,1,0|2,0,0]=4