0 B10R1.18 C1CCC(=CC1)CC(=O)O 19462 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.18 CC(=C)Cc1ccccc1 B20370 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.18 CC(=O)Cc1ccncc1 L18667 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.18 CC(=O)Nc1ccccc1 A14361 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.18 CC(=O)Oc1ccccc1 B22561 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.18 CC(=O)Oc1ccccc1 L19598 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.18 CC(=O)Sc1ccccc1 H55175 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CC(C)Cc1ccccn1 B22349 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.18 CC(C)Cc1cccnc1 B22080 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.18 CC(C)Nc1ccccc1 L10646 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.18 CC(C)Sc1ccccc1 A17124 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.18 CN(C)Cc1ccccc1 A12191 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [0,0,0,0,0,0|2,1,0]=3 15 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [0,0,0,0,0,0|2,1,0]=3 18 B10R1.18 c1cc(cnc1)NC(=S)N L01284 [0,0,0,0,0,0|3,1,0]=4 19 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [0,0,0,0,0,0|1,0,0]=1 20 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [0,0,0,0,0,0|0,0,0]=0 22 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [0,0,0,0,0,0|1,1,0]=2 23 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [0,0,0,0,0,0|2,0,0]=2 24 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [0,0,0,0,0,0|2,1,0]=3 25 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [0,0,0,0,0,0|2,0,0]=2 26 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.18 c1ccc(cc1)OC(=S)Cl L00838 [0,0,0,0,0,0|2,1,0]=3 28 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [0,0,0,0,0,0|1,0,0]=1 30 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [0,0,0,0,0,0|2,1,0]=3 31 B10R1.18 c1ccnc(c1)NC(=S)N L11465 [0,0,0,0,0,0|3,1,0]=4 32 B10R1.18 c1cnccc1CC(=O)N B24734 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.18 c1cnccc1CC(=O)O A14348 [0,0,0,0,0,0|1,0,0]=1 34 B10R1.18 c1cnccc1NC(=S)N L09925 [0,0,0,0,0,0|3,1,0]=4 35 B9R1.8 C#CCc1ccccc1 H53500 [1,0,0,0,0,0|1,0,1]=3 36 B9R1.8 C=CCc1ccccc1 A12965 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,0,0,0,0|1,0,2]=4 38 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,0|1,0,1]=3 39 B9R1.8 CCNc1ccccc1 A15060 [1,0,0,0,0,0|2,0,1]=4 40 B9R1.8 CCOc1ccccc1 A15501 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.8 CCSc1ccccc1 A13987 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.8 CNCc1ccccc1 A13746 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.8 COCc1ccccc1 B23490 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.8 c1cc(cnc1)CC#N B24964 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.8 c1cc(cnc1)CCN L16311 [1,0,0,0,0,0|2,0,1]=4 48 B9R1.8 c1cc(cnc1)\C=N\O B25679 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.8 c1cc[n+](cc1)CC#N A14327 [1,0,0,0,0,0|2,0,1]=4 50 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,0,0,0,0|1,0,1]=3 51 B9R1.8 c1ccc(cc1)CC=O A14263 [1,0,0,0,0,0|0,0,0]=1 52 B9R1.8 c1ccc(cc1)CCBr A12528 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.8 c1ccc(cc1)CCCl L04891 [1,0,0,0,0,0|1,0,1]=3 54 B9R1.8 c1ccc(cc1)CCN A13402 [1,0,0,0,0,0|1,0,1]=3 55 B9R1.8 c1ccc(cc1)CCO A15241 [1,0,0,0,0,0|0,0,1]=2 56 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,0,0,0,0,0|1,0,1]=3 57 B9R1.8 c1ccc(cc1)CNN H54916 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 c1ccc(cc1)CON A17393 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 c1ccc(cc1)CON L13601 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,0,0,0,0,0|1,0,1]=3 61 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,0,0,0,0,0|1,1,1]=4 62 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.8 c1ccc(cc1)NC=O A12472 [1,0,0,0,0,0|1,0,0]=2 64 B9R1.8 c1ccc(cc1)OC=O L00289 [1,0,0,0,0,0|1,0,0]=2 65 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,0,0,0,0,0|1,0,1]=3 67 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,0,0,0,0,0|1,0,1]=3 68 B9R1.8 c1ccnc(c1)CC#N A13087 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 c1ccnc(c1)CCN L05627 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.8 c1ccnc(c1)CCO B23579 [1,0,0,0,0,0|1,0,1]=3 71 B9R1.8 c1ccnc(c1)\C=N\O A16714 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.8 c1ccnc(c1)\C=N\O B23890 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.8 c1cnccc1CC#N B25095 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.8 c1cnccc1CC#N H64588 [1,0,0,0,0,0|2,0,1]=4 75 B9R1.8 c1cnccc1CCN H27545 [1,0,0,0,0,0|2,0,1]=4 76 B9R1.8 c1cnccc1CCO L13780 [1,0,0,0,0,0|1,0,1]=3 77 B9R1.8 c1cnccc1\C=N\O A17371 [1,0,0,0,0,0|2,0,1]=4 78 B11R1.20 CC(=O)Cc1ccc(cc1)Br A19028 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.20 CC(=O)Cc1ccc(cc1)F L11720 [0,1,0,0,0,0|1,0,0]=2 80 B11R1.20 CC(=O)Cc1ccc(cc1)O A18936 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.20 CC(=O)Nc1ccc(cc1)Br L02924 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.20 CC(=O)Nc1ccc(cc1)Cl A11214 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.20 CC(=O)Nc1ccc(cc1)F A18974 [0,1,0,0,0,0|2,0,0]=3 84 B11R1.20 CC(=O)Nc1ccc(cc1)N A13937 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.20 CC(=O)Nc1ccc(cc1)N B20740 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.20 CC(=O)Nc1ccc(cc1)S B23932 [0,1,0,0,0,0|2,0,0]=3 88 B11R1.20 CC(=O)Nc1ccc(cn1)Br H27456 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.20 CC(=O)Nc1ccc(cn1)N L20004 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.20 CC(=O)Oc1ccc(cc1)F B21356 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.20 CC(C)Cc1ccc(cc1)[Mg+] H54201 [0,1,0,0,0,0|2,0,1]=4 92 B11R1.20 CC(Cc1ccc(cc1)F)N H51016 [0,1,0,0,0,0|2,0,1]=4 93 B11R1.20 Cc1ccc(cc1)CC(=O)C B24728 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.20 Cc1ccc(cc1)CC(=O)Cl H37997 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,1,0,0,0,0|0,0,0]=1 96 B11R1.20 Cc1ccc(cc1)CC(=S)N H26278 [0,1,0,0,0,0|1,1,0]=3 97 B11R1.20 Cc1ccc(cc1)NC(=O)C A13721 [0,1,0,0,0,0|2,0,0]=3 98 B11R1.20 Cc1ccc(cc1)NC(=O)N A11150 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.20 Cc1ccc(cc1)NC(=S)N A11098 [0,1,0,0,0,0|2,1,0]=4 100 B11R1.20 Cc1ccc(cc1)OC(=S)Cl B23501 [0,1,0,0,0,0|2,1,0]=4 101 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl A12530 [0,1,0,0,0,0|1,0,0]=2 102 B11R1.20 c1cc(ccc1CC(=O)Cl)F L19235 [0,1,0,0,0,0|1,0,0]=2 103 B11R1.20 c1cc(ccc1CC(=O)N)O A15266 [0,1,0,0,0,0|1,0,0]=2 104 B11R1.20 c1cc(ccc1CC(=O)O)Br A15325 [0,1,0,0,0,0|0,0,0]=1 105 B11R1.20 c1cc(ccc1CC(=O)O)Cl A14974 [0,1,0,0,0,0|0,0,0]=1 106 B11R1.20 c1cc(ccc1CC(=O)O)F A10646 [0,1,0,0,0,0|0,0,0]=1 107 B11R1.20 c1cc(ccc1CC(=O)O)I L13345 [0,1,0,0,0,0|0,0,0]=1 108 B11R1.20 c1cc(ccc1CC(=O)O)N A14675 [0,1,0,0,0,0|0,0,0]=1 109 B11R1.20 c1cc(ccc1CC(=O)O)O A15018 [0,1,0,0,0,0|0,0,0]=1 110 B11R1.20 c1cc(ccc1CC(=O)O)S H27658 [0,1,0,0,0,0|0,0,0]=1 111 B11R1.20 c1cc(ccc1CC(=S)N)Cl H26864 [0,1,0,0,0,0|1,1,0]=3 112 B11R1.20 c1cc(ccc1NC(=O)N)Br L11074 [0,1,0,0,0,0|2,0,0]=3 113 B11R1.20 c1cc(ccc1NC(=O)N)Cl B25090 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.20 c1cc(ccc1NC(=O)N)F L01314 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.20 c1cc(ccc1NC(=S)N)Br L11163 [0,1,0,0,0,0|2,1,0]=4 116 B11R1.20 c1cc(ccc1NC(=S)N)Cl A12651 [0,1,0,0,0,0|2,1,0]=4 117 B11R1.20 c1cc(ccc1NC(=S)N)F L11159 [0,1,0,0,0,0|2,1,0]=4 118 B11R1.20 c1cc(ccc1NC(=S)N)O L12537 [0,1,0,0,0,0|2,1,0]=4 119 B11R1.20 c1cc(ccc1OC(=O)Cl)Cl 31175 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.20 c1cc(ncc1Br)CC(=O)O H33181 [0,1,0,0,0,0|1,0,0]=2 121 B11R1.20 c1cc(ncc1CC(=O)O)Cl H27966 [0,1,0,0,0,0|1,0,0]=2 122 B11R1.36 C1C=CCC(=C1)[C@H](C(=O)O)N L13785 [0,1,0,0,0,0|0,0,2]=3 123 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.36 CC(C)C(c1ccccc1)O B20729 [0,1,0,0,0,0|2,0,1]=4 125 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,1,0,0,0,0|0,0,0]=1 126 B11R1.36 CC(c1ccccc1)N(C)C A17989 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.36 CN(c1ccccc1)C(=S)N B20824 [0,1,0,0,0,0|2,1,0]=4 128 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,1,0,0,0,0|0,0,0]=1 130 B11R1.36 c1ccc(cc1)C(=O)C(=O)O L00648 [0,1,0,0,0,0|0,0,1]=2 131 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,1,0,0,0,0|1,0,0]=2 132 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,1,0,0,0,0|0,0,0]=1 133 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,1,0,0,0,0|0,0,0]=1 134 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,1,0,0,0,0|0,0,0]=1 135 B11R1.36 c1ccc(cc1)[C@@H](C(=O)Cl)N H56828 [0,1,0,0,0,0|1,0,0]=2 136 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,1,0,0,0,0|1,0,0]=2 137 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,1,0,0,0,0|0,0,0]=1 138 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,1,0,0,0,0|0,0,0]=1 139 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,1,0,0,0,0|0,0,0]=1 140 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,1,0,0,0,0|0,0,0]=1 141 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.40 C=CC(=O)Oc1ccccc1 L11819 [0,1,0,0,0,0|2,0,0]=3 143 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.40 CCN(C)Cc1ccccc1 L08520 [0,1,0,0,0,0|3,0,0]=4 145 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,1,0,0,0,0|0,0,0]=1 146 B11R1.40 COC(=O)Nc1cccnc1 H63484 [0,1,0,0,0,0|2,0,0]=3 147 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,1,0,0,0,0|1,0,0]=2 148 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [0,1,0,0,0,0|1,0,1]=3 149 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [0,1,0,0,0,0|1,0,1]=3 150 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [0,1,0,0,0,0|1,0,1]=3 151 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.40 c1ccc(cc1)C\C(=N\O)\N H58835 [0,1,0,0,0,0|1,0,0]=2 153 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.40 c1ccc(cc1)NC(=S)NN A15349 [0,1,0,0,0,0|2,1,0]=4 155 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [0,1,0,0,0,0|2,0,0]=3 156 B11R1.40 c1ccc(cc1)\C=C(\C=O)/Br A14230 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.86 CC(=O)Nc1ccccc1F A16927 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.86 CC(=O)Nc1ccccc1N H27343 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.86 CC(=O)Nc1ccccc1O B21264 [0,1,0,0,0,0|2,0,0]=3 164 B11R1.86 CC(Cc1ccccc1F)N H50999 [0,1,0,0,0,0|2,0,1]=4 165 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.86 Cc1ccccc1CC(=S)N H33111 [0,1,0,0,0,0|1,1,0]=3 168 B11R1.86 Cc1ccccc1NC(=O)C A13235 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.86 Cc1ccccc1NC(=S)N B22350 [0,1,0,0,0,0|2,1,0]=4 171 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,1,0,0,0,0|0,0,0]=1 172 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,1,0,0,0,0|0,0,0]=1 173 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,1,0,0,0,0|0,0,0]=1 174 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,1,0,0,0,0|0,0,0]=1 175 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,1,0,0,0,0|0,0,0]=1 176 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [0,1,0,0,0,0|1,1,0]=3 177 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.86 c1ccc(c(c1)NC(=S)N)Br L10098 [0,1,0,0,0,0|2,1,0]=4 179 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl L05711 [0,1,0,0,0,0|2,1,0]=4 180 B11R1.86 c1ccc(c(c1)NC(=S)N)F B20883 [0,1,0,0,0,0|2,1,0]=4 181 B11R1.86 c1ccc(c(c1)NC(=S)N)O L10519 [0,1,0,0,0,0|2,1,0]=4 182 B11R1.157 CC(=O)Cc1cccc(c1)F B22061 [0,1,0,0,0,0|1,0,0]=2 183 B11R1.157 CC(=O)Nc1cccc(c1)Cl A14921 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.157 CC(=O)Nc1cccc(c1)F B22889 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.157 CC(=O)Nc1cccc(c1)N H60629 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.157 CC(=O)Nc1cccc(c1)O A12764 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.157 CC(=O)Oc1cccc(c1)F L13465 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.157 Cc1cccc(c1)CC(=O)Cl H37453 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.157 Cc1cccc(c1)CC(=O)O A17743 [0,1,0,0,0,0|0,0,0]=1 190 B11R1.157 Cc1cccc(c1)CC(=S)N H33031 [0,1,0,0,0,0|1,1,0]=3 191 B11R1.157 Cc1cccc(c1)NC(=O)N B20749 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.157 Cc1cccc(c1)OC(=O)C L14602 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.157 Cc1cccc(n1)NC(=O)C H32034 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.157 c1c(cncc1Br)CC(=O)O L13579 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.157 c1cc(cc(c1)Br)CC(=O)O B20758 [0,1,0,0,0,0|0,0,0]=1 196 B11R1.157 c1cc(cc(c1)Br)NC(=O)N L11370 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O A11210 [0,1,0,0,0,0|0,0,0]=1 198 B11R1.157 c1cc(cc(c1)Cl)CC(=S)N H32426 [0,1,0,0,0,0|1,1,0]=3 199 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N L07123 [0,1,0,0,0,0|2,1,0]=4 200 B11R1.157 c1cc(cc(c1)F)CC(=O)O A15635 [0,1,0,0,0,0|0,0,0]=1 201 B11R1.157 c1cc(cc(c1)F)NC(=S)N L09538 [0,1,0,0,0,0|2,1,0]=4 202 B11R1.157 c1cc(cc(c1)I)CC(=O)O L15117 [0,1,0,0,0,0|0,0,0]=1 203 B11R1.157 c1cc(cc(c1)O)CC(=O)O B23563 [0,1,0,0,0,0|0,0,0]=1 204 B11R1.157 c1cc(cc(c1)O)NC(=S)N L09975 [0,1,0,0,0,0|2,1,0]=4 205 B11R1.509 CC(C)(C)Cc1ccccc1 A12941 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.509 CC(C)(Cc1ccccc1)O L03679 [0,1,0,0,0,0|1,0,1]=3 207 B11R1.509 CS(=O)(=O)Cc1ccccc1 L04233 [0,1,0,0,0,0|1,0,1]=3 208 B11R1.509 CS(=O)(=O)Oc1ccccc1 H55995 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.509 C[N+](C)(C)Cc1ccccc1 41717 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.509 C[N+](C)(C)Cc1ccccc1 43474 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.509 C[N+](C)(C)Cc1ccccc1 47189 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.509 C[N+](C)(C)Cc1ccccc1 A14927 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.509 C[N+](C)(C)Cc1ccccc1 A16759 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.509 C[N+](C)(C)Cc1ccccc1 A16840 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.509 C[N+](C)(C)Cc1ccccc1 B20812 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.509 C[N+](C)(C)Cc1ccccc1 B22892 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.509 C[N+](C)(C)Cc1ccccc1 B23520 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.509 C[N+](C)(C)Cc1ccccc1 B24470 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.509 C[Si](C)(C)Cc1ccccc1 A13191 [0,1,0,0,0,0|2,1,0]=4 220 B11R1.509 c1ccc(cc1)CP(=O)(O)O A13850 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl A10124 [0,1,0,0,0,0|1,0,1]=3 222 B11R1.509 c1ccc(cc1)CS(=O)(=O)F B22146 [0,1,0,0,0,0|1,0,1]=3 223 B11R1.509 c1ccc(cc1)CS(=O)(=O)N A16740 [0,1,0,0,0,0|1,0,1]=3 224 B11R1.509 c1ccc(cc1)OP(=O)(Cl)Cl A10479 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.509 c1ccc(cc1)OP(=O)(N)N A13562 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.509 c1ccc(cc1)OP(=O)([O-])[O-] 44711 [0,1,0,0,0,0|2,0,1]=4 227 B11R2.10 CC1=Cc2ccccc2C1 H26875 [0,0,0,1,0,0|2,0,0]=3 228 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [0,0,0,1,0,0|2,0,1]=4 230 B11R2.10 Cc1cc2ccccc2s1 H32224 [0,0,0,1,0,0|1,1,1]=4 231 B11R2.10 Cc1nc2ccccc2o1 A13198 [0,0,0,1,0,0|2,0,0]=3 232 B11R2.10 Cc1nc2ccccc2s1 A13427 [0,0,0,1,0,0|2,1,0]=4 233 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 H66234 [0,0,0,1,0,0|2,0,0]=3 234 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [0,0,0,1,0,0|2,0,0]=3 235 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [0,0,0,1,0,0|1,0,0]=2 236 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [0,0,0,1,0,0|1,0,0]=2 237 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [0,0,0,1,0,0|0,0,0]=1 238 B11R2.10 c1ccc2c(c1)CC(C2)N H31023 [0,0,0,1,0,0|2,0,1]=4 239 B11R2.10 c1ccc2c(c1)CC(C2)N L14083 [0,0,0,1,0,0|2,0,1]=4 240 B11R2.10 c1ccc2c(c1)CC(C2)O L01766 [0,0,0,1,0,0|1,0,1]=3 241 B11R2.10 c1ccc2c(c1)OP(O2)Cl B22712 [0,0,0,1,0,0|3,0,0]=4 242 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [0,0,0,1,0,0|1,0,0]=2 243 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br H26183 [0,0,0,1,0,0|3,0,0]=4 244 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A12193 [0,0,0,1,0,0|3,0,0]=4 245 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [0,0,0,1,0,0|3,0,0]=4 246 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [0,0,0,1,0,0|2,0,0]=3 247 B11R2.10 c1ccc2c(c1)[nH]c(n2)S A18350 [0,0,0,1,0,0|2,1,0]=4 248 B11R2.10 c1ccc2c(c1)nc(o2)Cl L07981 [0,0,0,1,0,0|2,0,0]=3 249 B11R2.10 c1ccc2c(c1)nc(o2)S A12346 [0,0,0,1,0,0|1,1,0]=3 250 B11R2.10 c1ccc2c(c1)nc(s2)Br H63286 [0,0,0,1,0,0|2,1,0]=4 251 B11R2.10 c1ccc2c(c1)nc(s2)Cl A17762 [0,0,0,1,0,0|2,1,0]=4 252 B11R2.10 c1ccc2c(c1)nc(s2)F L19316 [0,0,0,1,0,0|2,1,0]=4 253 B11R2.10 c1ccc2c(c1)nc(s2)N A13521 [0,0,0,1,0,0|2,1,0]=4 254 B11R2.10 c1ccc2c(c1)nc(s2)O A16648 [0,0,0,1,0,0|1,1,0]=3 255 B11R2.10 c1ccc2c(c1)nc(s2)S A14086 [0,0,0,1,0,0|1,2,0]=4 256 B9R1.6 B(c1ccccc1)(Cl)Cl 32583 [0,0,0,0,1,0|3,0,0]=4 257 B9R1.6 B(c1ccccc1)(O)O A14257 [0,0,0,0,1,0|1,0,1]=3 258 B9R1.6 B(c1ccccc1)(O)O L19459 [0,0,0,0,1,0|1,0,1]=3 259 B9R1.6 B(c1ccccn1)(O)O H53314 [0,0,0,0,1,0|2,0,1]=4 260 B9R1.6 B(c1cccnc1)(O)O L15040 [0,0,0,0,1,0|2,0,1]=4 261 B9R1.6 B(c1ccncc1)(O)O H52648 [0,0,0,0,1,0|2,0,1]=4 262 B9R1.6 B(c1ccncc1)(O)O L15179 [0,0,0,0,1,0|2,0,1]=4 263 B9R1.6 CC(=C)c1ccccc1 L03609 [0,0,0,0,1,0|2,0,0]=3 264 B9R1.6 CC(=O)c1ccccc1 A12727 [0,0,0,0,1,0|1,0,0]=2 265 B9R1.6 CC(=O)c1ccccn1 A12688 [0,0,0,0,1,0|2,0,0]=3 266 B9R1.6 CC(=O)c1cccnc1 A14246 [0,0,0,0,1,0|2,0,0]=3 267 B9R1.6 CC(=O)c1ccncc1 A12015 [0,0,0,0,1,0|2,0,0]=3 268 B9R1.6 CC(=O)c1ccnnc1 H66461 [0,0,0,0,1,0|3,0,0]=4 269 B9R1.6 CC(=O)c1cnccn1 A15917 [0,0,0,0,1,0|3,0,0]=4 270 B9R1.6 CC(C)c1ccccc1 A11864 [0,0,0,0,1,0|2,0,1]=4 271 B9R1.6 CC(c1ccccc1)Br A16839 [0,0,0,0,1,0|2,0,1]=4 272 B9R1.6 CC(c1ccccc1)N A15711 [0,0,0,0,1,0|2,0,1]=4 273 B9R1.6 CC(c1ccccc1)O A13837 [0,0,0,0,1,0|1,0,1]=3 274 B9R1.6 CC(c1ccccc1)S H26345 [0,0,0,0,1,0|1,1,1]=4 275 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [0,0,0,0,1,0|2,0,1]=4 276 B9R1.6 CC(c1ccncc1)O H58711 [0,0,0,0,1,0|2,0,1]=4 277 B9R1.6 CN(C)c1ccccc1 A11916 [0,0,0,0,1,0|3,0,0]=4 278 B9R1.6 CN(c1ccccc1)N B22440 [0,0,0,0,1,0|3,0,0]=4 279 B9R1.6 CP(C)c1ccccc1 A17975 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.6 CS(=O)c1ccccc1 A15009 [0,0,0,0,1,0|2,0,0]=3 281 B9R1.6 C[C@@H](c1ccccc1)N A12632 [0,0,0,0,1,0|2,0,1]=4 282 B9R1.6 C[C@@H](c1ccccc1)N L19118 [0,0,0,0,1,0|2,0,1]=4 283 B9R1.6 C[C@@H](c1ccccc1)O B21188 [0,0,0,0,1,0|1,0,1]=3 284 B9R1.6 C[C@H](c1ccccc1)N A10967 [0,0,0,0,1,0|2,0,1]=4 285 B9R1.6 C[C@H](c1ccccc1)N L19117 [0,0,0,0,1,0|2,0,1]=4 286 B9R1.6 C[C@H](c1ccccc1)O L19296 [0,0,0,0,1,0|1,0,1]=3 287 B9R1.6 C[C@H](c1ccncc1)O H51033 [0,0,0,0,1,0|2,0,1]=4 288 B9R1.6 C[SiH](C)c1ccccc1 L04558 [0,0,0,0,1,0|2,1,0]=4 289 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [0,0,0,0,1,0|1,0,0]=2 290 B9R1.6 c1c(cncn1)C(=O)O H61406 [0,0,0,0,1,0|2,0,0]=3 291 B9R1.6 c1cc(cnc1)C(=N)N B20406 [0,0,0,0,1,0|3,0,0]=4 292 B9R1.6 c1cc(cnc1)C(=O)Cl A15317 [0,0,0,0,1,0|2,0,0]=3 293 B9R1.6 c1cc(cnc1)C(=O)N A15970 [0,0,0,0,1,0|2,0,0]=3 294 B9R1.6 c1cc(cnc1)C(=O)O A12683 [0,0,0,0,1,0|1,0,0]=2 295 B9R1.6 c1cc(cnc1)C(=O)[O-] B22224 [0,0,0,0,1,0|1,0,1]=3 296 B9R1.6 c1cc(cnc1)C(=S)N A11144 [0,0,0,0,1,0|2,1,0]=4 297 B9R1.6 c1cc(cnc1)[N+](=O)[O-] L19627 [0,0,0,0,1,0|2,0,1]=4 298 B9R1.6 c1cc(nnc1)C(=O)O H34341 [0,0,0,0,1,0|2,0,0]=3 299 B9R1.6 c1ccc(cc1)C(=N)N A16002 [0,0,0,0,1,0|2,0,0]=3 300 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [0,0,0,0,1,0|1,0,0]=2 301 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [0,0,0,0,1,0|1,0,0]=2 302 B9R1.6 c1ccc(cc1)C(=O)F L11464 [0,0,0,0,1,0|1,0,0]=2 303 B9R1.6 c1ccc(cc1)C(=O)N A10501 [0,0,0,0,1,0|1,0,0]=2 304 B9R1.6 c1ccc(cc1)C(=O)O 36230 [0,0,0,0,1,0|0,0,0]=1 305 B9R1.6 c1ccc(cc1)C(=O)O A14062 [0,0,0,0,1,0|0,0,0]=1 306 B9R1.6 c1ccc(cc1)C(=O)O H25864 [0,0,0,0,1,0|0,0,0]=1 307 B9R1.6 c1ccc(cc1)C(=O)O L19473 [0,0,0,0,1,0|0,0,0]=1 308 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [0,0,0,0,1,0|0,0,1]=2 309 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [0,0,0,0,1,0|0,0,1]=2 310 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [0,0,0,0,1,0|0,0,1]=2 311 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [0,0,0,0,1,0|0,0,1]=2 312 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [0,0,0,0,1,0|0,0,1]=2 313 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [0,0,0,0,1,0|0,0,1]=2 314 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [0,0,0,0,1,0|0,0,1]=2 315 B9R1.6 c1ccc(cc1)C(=S)N A12973 [0,0,0,0,1,0|1,1,0]=3 316 B9R1.6 c1ccc(cc1)C(=S)O B24458 [0,0,0,0,1,0|0,1,0]=2 317 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [0,0,0,0,1,0|0,1,1]=3 318 B9R1.6 c1ccc(cc1)P(=O)O A17453 [0,0,0,0,1,0|1,0,0]=2 319 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [0,0,0,0,1,0|3,0,0]=4 320 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [0,0,0,0,1,0|1,0,1]=3 321 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [0,0,0,0,1,0|1,0,1]=3 322 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [0,0,0,0,1,0|1,0,1]=3 323 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [0,0,0,0,1,0|1,0,1]=3 324 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [0,0,0,0,1,0|2,1,0]=4 325 B9R1.6 c1ccnc(c1)C(=N)N A10942 [0,0,0,0,1,0|3,0,0]=4 326 B9R1.6 c1ccnc(c1)C(=O)N A15410 [0,0,0,0,1,0|2,0,0]=3 327 B9R1.6 c1ccnc(c1)C(=O)O A14749 [0,0,0,0,1,0|1,0,0]=2 328 B9R1.6 c1ccnc(c1)C(=S)N H51710 [0,0,0,0,1,0|2,1,0]=4 329 B9R1.6 c1ccnc(c1)[N+](=O)[O-] H33657 [0,0,0,0,1,0|2,0,1]=4 330 B9R1.6 c1cnc(cn1)C(=O)Cl H50418 [0,0,0,0,1,0|3,0,0]=4 331 B9R1.6 c1cnc(cn1)C(=O)O A13363 [0,0,0,0,1,0|2,0,0]=3 332 B9R1.6 c1cnc(nc1)C(=O)O H54745 [0,0,0,0,1,0|2,0,0]=3 333 B9R1.6 c1cnccc1C(=N)N A11050 [0,0,0,0,1,0|3,0,0]=4 334 B9R1.6 c1cnccc1C(=O)Cl A10863 [0,0,0,0,1,0|2,0,0]=3 335 B9R1.6 c1cnccc1C(=O)N A18190 [0,0,0,0,1,0|2,0,0]=3 336 B9R1.6 c1cnccc1C(=O)O A18109 [0,0,0,0,1,0|1,0,0]=2 337 B9R1.6 c1cnccc1C(=S)N B25265 [0,0,0,0,1,0|2,1,0]=4 338 B9R1.6 c1cncnc1C(=O)O H60022 [0,0,0,0,1,0|2,0,0]=3 339 B9R1.6 c1cnncc1C(=O)O H27246 [0,0,0,0,1,0|2,0,0]=3 340 B9R1.13 C1CC(C=C1)CC(=O)O H27507 [0,0,0,0,1,0|0,0,3]=4 341 B9R1.13 CC(=O)Cc1ccco1 B22171 [0,0,0,0,1,0|2,0,0]=3 342 B9R1.13 c1c(nc[nH]1)CC(=O)O B22473 [0,0,0,0,1,0|2,0,0]=3 343 B9R1.13 c1cc(sc1)CC(=O)Cl L09323 [0,0,0,0,1,0|2,0,0]=3 344 B9R1.13 c1cc(sc1)CC(=O)N L19221 [0,0,0,0,1,0|2,0,0]=3 345 B9R1.13 c1cc(sc1)CC(=O)O A10394 [0,0,0,0,1,0|1,0,0]=2 346 B9R1.13 c1cc(sc1)CC(=S)N H58178 [0,0,0,0,1,0|2,1,0]=4 347 B9R1.13 c1cscc1CC(=O)O A10700 [0,0,0,0,1,0|1,0,0]=2 348 B9R1.13 c1ncn(n1)CC(=O)O H31732 [0,0,0,0,1,0|3,0,0]=4 349 B11R1.91 B(CCc1ccccc1)(O)O H52502 [0,0,0,0,0,1|1,0,1]=3 350 B11R1.91 B(\C=C\c1ccccc1)(O)O H53227 [0,0,0,0,0,1|1,0,2]=4 351 B11R1.91 CC(=C)COc1ccccc1 B22369 [0,0,0,0,0,1|2,0,0]=3 352 B11R1.91 CC(=N)SCc1ccccc1 H51844 [0,0,0,0,0,1|2,0,0]=3 353 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [0,0,0,0,0,1|1,0,1]=3 354 B11R1.91 CC(=O)CCc1ccccc1 B22777 [0,0,0,0,0,1|1,0,0]=2 355 B11R1.91 CC(=O)NCc1cccnc1 B21862 [0,0,0,0,0,1|2,0,0]=3 356 B11R1.91 CC(=O)NNc1ccccc1 A14446 [0,0,0,0,0,1|2,0,0]=3 357 B11R1.91 CC(=O)OCc1ccccc1 B23472 [0,0,0,0,0,1|1,0,0]=2 358 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [0,0,0,0,0,1|1,0,1]=3 359 B11R1.91 CC(C#Cc1ccccc1)O H53450 [0,0,0,0,0,1|1,0,2]=4 360 B11R1.91 CC(C)NCc1ccccc1 B23243 [0,0,0,0,0,1|2,0,1]=4 361 B11R1.91 CC(CCc1ccccc1)N A18804 [0,0,0,0,0,1|2,0,1]=4 362 B11R1.91 CC(CCc1ccccc1)O L05970 [0,0,0,0,0,1|1,0,1]=3 363 B11R1.91 CC(COc1ccccc1)O L04596 [0,0,0,0,0,1|1,0,1]=3 364 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [0,0,0,0,0,1|1,0,1]=3 365 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [0,0,0,0,0,1|1,0,1]=3 366 B11R1.91 c1cc(cnc1)CCC(=O)O H58619 [0,0,0,0,0,1|1,0,0]=2 367 B11R1.91 c1cc(cnc1)CCC(=O)O L14007 [0,0,0,0,0,1|1,0,0]=2 368 B11R1.91 c1cc(cnc1)OCC(=O)O B24780 [0,0,0,0,0,1|1,0,0]=2 369 B11R1.91 c1cc(cnc1)\C=C\C(=O)O A14747 [0,0,0,0,0,1|1,0,1]=3 370 B11R1.91 c1ccc(cc1)C#CC(=O)O A15163 [0,0,0,0,0,1|0,0,1]=2 371 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [0,0,0,0,0,1|1,0,0]=2 372 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [0,0,0,0,0,1|0,0,0]=1 373 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [0,0,0,0,0,1|1,0,0]=2 374 B11R1.91 c1ccc(cc1)CNC(=S)N L09400 [0,0,0,0,0,1|1,1,0]=3 375 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [0,0,0,0,0,1|1,0,0]=2 376 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [0,0,0,0,0,1|1,0,0]=2 377 B11R1.91 c1ccc(cc1)CSC(=[NH2+])N A15914 [0,0,0,0,0,1|2,0,0]=3 378 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [0,0,0,0,0,1|0,0,0]=1 379 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [0,0,0,0,0,1|2,0,0]=3 380 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [0,0,0,0,0,1|1,0,0]=2 381 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [0,0,0,0,0,1|1,0,0]=2 382 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [0,0,0,0,0,1|0,0,0]=1 383 B11R1.91 c1ccc(cc1)OCC(=S)N H26478 [0,0,0,0,0,1|1,1,0]=3 384 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [0,0,0,0,0,1|0,0,0]=1 385 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl A12016 [0,0,0,0,0,1|1,0,1]=3 386 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [0,0,0,0,0,1|1,0,1]=3 387 B11R1.91 c1ccc(cc1)\C=C\C(=O)O A13538 [0,0,0,0,0,1|0,0,1]=2 388 B11R1.91 c1ccc(cc1)\C=C\[N+](=O)[O-] L14367 [0,0,0,0,0,1|1,0,2]=4 389 B11R1.91 c1cnc(nc1)SCC(=O)O A10659 [0,0,0,0,0,1|2,0,0]=3 390 B11R1.91 c1cnccc1CCC(=O)O H58655 [0,0,0,0,0,1|1,0,0]=2 391 B11R1.91 c1cnccc1SCC(=O)O B21499 [0,0,0,0,0,1|1,0,0]=2 392 B11R1.91 c1cnccc1\C=C\C(=O)O L13458 [0,0,0,0,0,1|1,0,1]=3 393 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 394 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,1]=3 395 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,1]=3 396 B8R1.2 C=Cc1ccccn1 A14056 [2,0,0,0,0,0|1,0,1]=4 397 B8R1.2 C=Cc1ccncc1 H36621 [2,0,0,0,0,0|1,0,1]=4 398 B8R1.2 C=Cc1ccncc1 L13316 [2,0,0,0,0,0|1,0,1]=4 399 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,1]=4 400 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,1]=3 401 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,1]=4 402 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,1]=4 403 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,1]=4 404 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|1,0,1]=4 405 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|1,0,1]=4 406 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|1,0,1]=4 407 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|1,0,1]=4 408 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 409 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 410 B8R1.2 c1c(cncn1)C=O H54448 [2,0,0,0,0,0|2,0,0]=4 411 B8R1.2 c1cc(cnc1)C=O A14607 [2,0,0,0,0,0|1,0,0]=3 412 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|1,0,0]=3 415 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|1,0,1]=4 416 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|1,0,1]=4 417 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|1,0,1]=4 418 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|0,0,0]=2 419 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|0,0,0]=2 420 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|0,0,0]=2 421 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,0]=3 422 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,0]=3 423 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|1,0,0]=3 424 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|1,0,0]=3 425 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|1,0,0]=3 426 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|0,0,0]=2 427 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|0,0,0]=2 428 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|0,0,0]=2 429 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|0,1,0]=3 430 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|0,1,0]=3 431 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,0]=3 432 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,0]=3 433 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,0]=3 434 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|1,0,0]=3 435 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|2,0,0]=4 436 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|2,0,0]=4 437 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|1,0,0]=3 438 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 439 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 440 B8R1.2 c1ccnc(c1)C=O A11391 [2,0,0,0,0,0|1,0,0]=3 441 B8R1.2 c1ccnc(c1)CCl A10226 [2,0,0,0,0,0|2,0,0]=4 442 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|2,0,0]=4 443 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|1,0,0]=3 444 B8R1.2 c1cnccc1C=O A10656 [2,0,0,0,0,0|1,0,0]=3 445 B8R1.2 c1cnccc1CCl A12859 [2,0,0,0,0,0|2,0,0]=4 446 B8R1.2 c1cnccc1CN L06345 [2,0,0,0,0,0|2,0,0]=4 447 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|1,0,0]=3 448 B8R1.2 c1cncnc1CO H31754 [2,0,0,0,0,0|2,0,0]=4 449 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,1,0,0,0,0|1,0,1]=4 450 B10R1.1 CCCc1ccc(cc1)I L05767 [1,1,0,0,0,0|1,0,1]=4 451 B10R1.1 CCCc1ccc(cc1)N L03880 [1,1,0,0,0,0|1,0,1]=4 452 B10R1.1 CCCc1ccc(cc1)O A15342 [1,1,0,0,0,0|1,0,1]=4 453 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,1,0,0,0,0|1,0,1]=4 454 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,1,0,0,0,0|2,0,0]=4 455 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,1,0,0,0,0|2,0,0]=4 456 B10R1.1 CNCc1ccc(cc1)F H54369 [1,1,0,0,0,0|2,0,0]=4 457 B10R1.1 Cc1ccc(cc1)CC#N A12169 [1,1,0,0,0,0|1,0,1]=4 458 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|0,0,1]=3 459 B10R1.1 Cc1ccc(cc1)N=C=O A13577 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.1 c1cc(ccc1CC#N)Br A10887 [1,1,0,0,0,0|1,0,1]=4 461 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [1,1,0,0,0,0|1,0,1]=4 462 B10R1.1 c1cc(ccc1CC#N)F A14290 [1,1,0,0,0,0|1,0,1]=4 463 B10R1.1 c1cc(ccc1CC#N)I L15119 [1,1,0,0,0,0|1,0,1]=4 464 B10R1.1 c1cc(ccc1CC#N)N A11304 [1,1,0,0,0,0|1,0,1]=4 465 B10R1.1 c1cc(ccc1CC#N)O A10971 [1,1,0,0,0,0|1,0,1]=4 466 B10R1.1 c1cc(ccc1CCCl)F L16719 [1,1,0,0,0,0|1,0,1]=4 467 B10R1.1 c1cc(ccc1CCN)Br H63706 [1,1,0,0,0,0|1,0,1]=4 468 B10R1.1 c1cc(ccc1CCN)Cl H63081 [1,1,0,0,0,0|1,0,1]=4 469 B10R1.1 c1cc(ccc1CCN)F H61791 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.1 c1cc(ccc1CCN)N L15782 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.1 c1cc(ccc1CCN)O A12220 [1,1,0,0,0,0|1,0,1]=4 472 B10R1.1 c1cc(ccc1CCO)Br A14143 [1,1,0,0,0,0|0,0,1]=3 473 B10R1.1 c1cc(ccc1CCO)F L05618 [1,1,0,0,0,0|0,0,1]=3 474 B10R1.1 c1cc(ccc1CCO)N L15223 [1,1,0,0,0,0|0,0,1]=3 475 B10R1.1 c1cc(ccc1CCO)O A14891 [1,1,0,0,0,0|0,0,1]=3 476 B10R1.1 c1cc(ccc1N=C=O)Br L10834 [1,1,0,0,0,0|1,0,1]=4 477 B10R1.1 c1cc(ccc1N=C=O)Cl A14966 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.1 c1cc(ccc1N=C=O)F A12576 [1,1,0,0,0,0|1,0,1]=4 479 B10R1.1 c1cc(ccc1N=C=O)I L16000 [1,1,0,0,0,0|1,0,1]=4 480 B10R1.4 C=CCc1ccccc1O A10755 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|1,0,1]=4 482 B10R1.4 CNCc1ccccc1Br H63390 [1,1,0,0,0,0|2,0,0]=4 483 B10R1.4 CNCc1ccccc1Cl H54680 [1,1,0,0,0,0|2,0,0]=4 484 B10R1.4 CNCc1ccccc1F H54439 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.4 Cc1ccccc1CC#N A14787 [1,1,0,0,0,0|1,0,1]=4 486 B10R1.4 Cc1ccccc1CCN H28320 [1,1,0,0,0,0|1,0,1]=4 487 B10R1.4 Cc1ccccc1CNC H63956 [1,1,0,0,0,0|2,0,0]=4 488 B10R1.4 Cc1ccccc1N=C=O L12247 [1,1,0,0,0,0|1,0,1]=4 489 B10R1.4 Cc1ccccc1NC=O B25134 [1,1,0,0,0,0|1,0,0]=3 490 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,1,0,0,0,0|1,0,1]=4 491 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,1,0,0,0,0|1,0,1]=4 492 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,1,0,0,0,0|1,0,1]=4 493 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,1,0,0,0,0|1,0,1]=4 494 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,1,0,0,0,0|0,0,1]=3 497 B10R1.4 c1ccc(c(c1)N=C=O)Br L12521 [1,1,0,0,0,0|1,0,1]=4 498 B10R1.4 c1ccc(c(c1)N=C=O)Cl B21489 [1,1,0,0,0,0|1,0,1]=4 499 B10R1.4 c1ccc(c(c1)N=C=O)F A17466 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.4 c1ccc(c(c1)\C=N\O)Br B23023 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.4 c1ccc(c(c1)\C=N\O)O A11080 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.10 CCCc1cccc(c1)O B21266 [1,1,0,0,0,0|1,0,1]=4 503 B10R1.10 CNCc1cccc(c1)Br H54294 [1,1,0,0,0,0|2,0,0]=4 504 B10R1.10 CNCc1cccc(c1)Cl H54986 [1,1,0,0,0,0|2,0,0]=4 505 B10R1.10 CNCc1cccc(c1)F H56177 [1,1,0,0,0,0|2,0,0]=4 506 B10R1.10 Cc1cccc(c1)CC#N A10558 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.10 Cc1cccc(c1)CNC H63231 [1,1,0,0,0,0|2,0,0]=4 508 B10R1.10 Cc1cccc(c1)N=C=O L15255 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.10 Cc1cccc(c1)NC=O B24061 [1,1,0,0,0,0|1,0,0]=3 510 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [1,1,0,0,0,0|1,0,1]=4 511 B10R1.10 c1cc(cc(c1)Br)N=C=O L12292 [1,1,0,0,0,0|1,0,1]=4 512 B10R1.10 c1cc(cc(c1)Br)\C=N\O B25181 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.10 c1cc(cc(c1)Cl)N=C=O L11483 [1,1,0,0,0,0|1,0,1]=4 515 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.10 c1cc(cc(c1)F)CCN H64762 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.10 c1cc(cc(c1)F)N=C=O L01496 [1,1,0,0,0,0|1,0,1]=4 518 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [1,1,0,0,0,0|1,0,1]=4 519 B10R1.10 c1cc(cc(c1)I)N=C=O H30803 [1,1,0,0,0,0|1,0,1]=4 520 B10R1.15 C#CC(c1ccccc1)O L09549 [1,1,0,0,0,0|1,0,1]=4 521 B10R1.15 CC(C#N)c1ccccc1 A13636 [1,1,0,0,0,0|1,0,1]=4 522 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|0,0,0]=2 523 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,1,0,0,0,0|1,0,1]=4 524 B10R1.15 CC(CN)c1ccccc1 H36338 [1,1,0,0,0,0|1,0,1]=4 525 B10R1.15 CC(CO)c1ccccc1 B23473 [1,1,0,0,0,0|0,0,1]=3 526 B10R1.15 CCC(C)c1ccccc1 B22962 [1,1,0,0,0,0|1,0,1]=4 527 B10R1.15 CCC(c1ccccc1)O A10830 [1,1,0,0,0,0|1,0,1]=4 528 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,1,0,0,0,0|1,0,1]=4 529 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,1,0,0,0,0|1,0,1]=4 530 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,1,0,0,0,0|1,0,1]=4 531 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,1,0,0,0,0|1,0,1]=4 532 B10R1.15 CN(C=O)c1ccccc1 A11829 [1,1,0,0,0,0|1,0,0]=3 533 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,1,0,0,0,0|0,0,1]=3 534 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,1,0,0,0,0|0,0,1]=3 535 B10R1.15 C\C(=N/O)\c1ccccc1 A11804 [1,1,0,0,0,0|1,0,1]=4 536 B10R1.15 c1ccc(cc1)C(=O)C=O A10677 [1,1,0,0,0,0|0,0,1]=3 537 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|0,0,2]=4 538 B10R1.15 c1ccc(cc1)C(=O)NO A10509 [1,1,0,0,0,0|1,0,1]=4 539 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [1,1,0,0,0,0|1,0,1]=4 540 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [1,1,0,0,0,0|1,0,1]=4 541 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,1,0,0,0,0|1,0,1]=4 542 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,1,0,0,0,0|1,0,1]=4 543 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,1,0,0,0,0|0,0,1]=3 544 B10R1.15 c1ccc(cc1)N(N=O)[O-] A16551 [1,1,0,0,0,0|2,0,0]=4 545 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [1,1,0,0,0,0|1,0,1]=4 546 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,1,0,0,0,0|1,0,1]=4 547 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,1,0,0,0,0|0,0,1]=3 548 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,1,0,0,0,0|0,0,1]=3 549 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [1,1,0,0,0,0|1,0,1]=4 550 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,1,0,0,0,0|1,0,1]=4 551 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,1,0,0,0,0|0,0,1]=3 552 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,1,0,0,0,0|0,0,1]=3 553 B10R1.15 c1ccc(cc1)\C(=N\O)\N H26068 [1,1,0,0,0,0|1,0,1]=4 554 B10R1.17 C#CCCc1ccccc1 L12946 [1,1,0,0,0,0|1,0,1]=4 555 B10R1.17 C#CCOc1ccccc1 43923 [1,1,0,0,0,0|1,0,1]=4 556 B10R1.17 C#CCOc1ccccc1 A18272 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.17 C=CCNc1ccccc1 H55821 [1,1,0,0,0,0|1,0,0]=3 558 B10R1.17 C=CCOc1ccccc1 L03359 [1,1,0,0,0,0|1,0,0]=3 559 B10R1.17 C=CCSc1ccccc1 L04771 [1,1,0,0,0,0|1,0,0]=3 560 B10R1.17 CCCCc1ccccc1 A10910 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.17 CCNCc1ccccc1 L05651 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.17 c1cc(cnc1)\C=C\C=O L14006 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.17 c1ccc(cc1)C#CCO 43778 [1,1,0,0,0,0|0,0,2]=4 564 B10R1.17 c1ccc(cc1)C#CCO L06337 [1,1,0,0,0,0|0,0,2]=4 565 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,1,0,0,0,0|1,0,1]=4 566 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,1,0,0,0,0|0,0,0]=2 567 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,1,0,0,0,0|1,0,1]=4 568 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,1,0,0,0,0|1,0,1]=4 569 B10R1.17 c1ccc(cc1)CCCI H53420 [1,1,0,0,0,0|1,0,1]=4 570 B10R1.17 c1ccc(cc1)CCCN L03023 [1,1,0,0,0,0|1,0,1]=4 571 B10R1.17 c1ccc(cc1)CCCO A13022 [1,1,0,0,0,0|0,0,1]=3 572 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,1,0,0,0,0|1,0,1]=4 573 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,1,0,0,0,0|0,0,1]=3 574 B10R1.17 c1ccc(cc1)CN=C=S A15008 [1,1,0,0,0,0|0,1,1]=4 575 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [1,1,0,0,0,0|2,0,0]=4 576 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,1,0,0,0,0|0,0,0]=2 577 B10R1.17 c1ccc(cc1)COC=O L13405 [1,1,0,0,0,0|0,0,0]=2 578 B10R1.17 c1ccc(cc1)COCCl H60207 [1,1,0,0,0,0|1,0,1]=4 579 B10R1.17 c1ccc(cc1)CSC#N B23902 [1,1,0,0,0,0|1,0,1]=4 580 B10R1.17 c1ccc(cc1)NCCN L03786 [1,1,0,0,0,0|1,0,1]=4 581 B10R1.17 c1ccc(cc1)NCCO B22131 [1,1,0,0,0,0|0,0,1]=3 582 B10R1.17 c1ccc(cc1)OCC#N A11981 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,1,0,0,0,0|1,0,1]=4 584 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,1,0,0,0,0|1,0,1]=4 585 B10R1.17 c1ccc(cc1)OCCN A12225 [1,1,0,0,0,0|1,0,1]=4 586 B10R1.17 c1ccc(cc1)OCCO A10786 [1,1,0,0,0,0|0,0,1]=3 587 B10R1.17 c1ccc(cc1)SCC#N A12869 [1,1,0,0,0,0|1,0,1]=4 588 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,1,0,0,0,0|1,0,1]=4 589 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,1,0,0,0,0|1,0,1]=4 590 B10R1.17 c1ccc(cc1)SCCO A10861 [1,1,0,0,0,0|0,0,1]=3 591 B10R1.17 c1ccc(cc1)\C=C\C#N A15301 [1,1,0,0,0,0|1,0,1]=4 592 B10R1.17 c1ccc(cc1)\C=C\C#N B25503 [1,1,0,0,0,0|1,0,1]=4 593 B10R1.17 c1ccc(cc1)\C=C\C=O A14689 [1,1,0,0,0,0|0,0,1]=3 594 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,1,0,0,0,0|1,0,1]=4 595 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,1,0,0,0,0|0,0,1]=3 597 B10R1.13 B(c1ccc(cc1)Br)(O)O L01565 [0,1,0,0,1,0|1,0,1]=4 598 B10R1.13 B(c1ccc(cc1)C)(O)O A13347 [0,1,0,0,1,0|1,0,1]=4 599 B10R1.13 B(c1ccc(cc1)Cl)(O)O A15657 [0,1,0,0,1,0|1,0,1]=4 600 B10R1.13 B(c1ccc(cc1)F)(O)O A15991 [0,1,0,0,1,0|1,0,1]=4 601 B10R1.13 B(c1ccc(cc1)I)(O)O H51119 [0,1,0,0,1,0|1,0,1]=4 602 B10R1.13 B(c1ccc(cc1)N)(O)O H27479 [0,1,0,0,1,0|1,0,1]=4 603 B10R1.13 B(c1ccc(cc1)O)(O)O L15594 [0,1,0,0,1,0|1,0,1]=4 604 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,1,0,0,1,0|2,0,0]=4 605 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,1,0,0,1,0|2,0,0]=4 606 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,1,0,0,1,0|1,0,0]=3 607 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,1,0,0,1,0|1,0,0]=3 608 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,1,0,0,1,0|1,0,0]=3 609 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,1,0,0,1,0|1,0,0]=3 610 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,1,0,0,1,0|1,0,0]=3 611 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,1,0,0,1,0|1,0,0]=3 612 B10R1.13 CC(=O)c1ccc(nc1)Br H33204 [0,1,0,0,1,0|2,0,0]=4 613 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [0,1,0,0,1,0|1,0,1]=4 614 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,1,0,0,1,0|1,0,1]=4 615 B10R1.13 CC(c1ccc(cc1)F)O B22097 [0,1,0,0,1,0|1,0,1]=4 616 B10R1.13 CC(c1ccc(cc1)N)O L03341 [0,1,0,0,1,0|1,0,1]=4 617 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,1,0,0,1,0|2,0,0]=4 618 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,1,0,0,1,0|1,0,0]=3 619 B10R1.13 Cc1ccc(cc1)C(=O)Cl A15581 [0,1,0,0,1,0|1,0,0]=3 620 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,1,0,0,1,0|1,0,0]=3 621 B10R1.13 Cc1ccc(cc1)C(=O)O A11506 [0,1,0,0,1,0|0,0,0]=2 622 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [0,1,0,0,1,0|1,1,0]=4 623 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,1,0,0,1,0|1,0,1]=4 624 B10R1.13 Cc1ccc(cc1)S(=O)[O-] A11430 [0,1,0,0,1,0|1,0,1]=4 625 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] A14398 [0,1,0,0,1,0|1,0,1]=4 626 B10R1.13 Cc1ccc(cn1)C(=O)C H27014 [0,1,0,0,1,0|2,0,0]=4 627 B10R1.13 Cc1ccc(cn1)C(=O)N A16039 [0,1,0,0,1,0|2,0,0]=4 628 B10R1.13 Cc1ccc(cn1)C(=O)O L08877 [0,1,0,0,1,0|1,0,0]=3 629 B10R1.13 Cc1cnc(cn1)C(=O)O A14011 [0,1,0,0,1,0|2,0,0]=4 630 B10R1.13 Cc1ncc(cn1)C(=O)O H64375 [0,1,0,0,1,0|2,0,0]=4 631 B10R1.13 c1c(cnc(n1)C(=O)O)Br H64041 [0,1,0,0,1,0|2,0,0]=4 632 B10R1.13 c1c(ncc(n1)Br)C(=O)O H66382 [0,1,0,0,1,0|2,0,0]=4 633 B10R1.13 c1c(ncc(n1)Cl)C(=O)O H32596 [0,1,0,0,1,0|2,0,0]=4 634 B10R1.13 c1c(ncc(n1)N)C(=O)O H66207 [0,1,0,0,1,0|2,0,0]=4 635 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] L02425 [0,1,0,0,1,0|1,0,0]=3 636 B10R1.13 c1cc(=O)occ1C(=O)O B25521 [0,1,0,0,1,0|1,0,0]=3 637 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [0,1,0,0,1,0|2,0,0]=4 638 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,1,0,0,1,0|2,0,0]=4 639 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [0,1,0,0,1,0|2,0,0]=4 640 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [0,1,0,0,1,0|2,0,0]=4 641 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [0,1,0,0,1,0|2,0,0]=4 642 B10R1.13 c1cc(ccc1C(=O)Cl)Br L03794 [0,1,0,0,1,0|1,0,0]=3 643 B10R1.13 c1cc(ccc1C(=O)Cl)Cl A16325 [0,1,0,0,1,0|1,0,0]=3 644 B10R1.13 c1cc(ccc1C(=O)Cl)F A12946 [0,1,0,0,1,0|1,0,0]=3 645 B10R1.13 c1cc(ccc1C(=O)Cl)I B25388 [0,1,0,0,1,0|1,0,0]=3 646 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,1,0,0,1,0|1,0,0]=3 647 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,1,0,0,1,0|1,0,0]=3 648 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,1,0,0,1,0|1,0,0]=3 649 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,1,0,0,1,0|1,0,0]=3 650 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,1,0,0,1,0|1,0,0]=3 651 B10R1.13 c1cc(ccc1C(=O)O)Br A12518 [0,1,0,0,1,0|0,0,0]=2 652 B10R1.13 c1cc(ccc1C(=O)O)Cl A15135 [0,1,0,0,1,0|0,0,0]=2 653 B10R1.13 c1cc(ccc1C(=O)O)F A14129 [0,1,0,0,1,0|0,0,0]=2 654 B10R1.13 c1cc(ccc1C(=O)O)I A10730 [0,1,0,0,1,0|0,0,0]=2 655 B10R1.13 c1cc(ccc1C(=O)O)N A12673 [0,1,0,0,1,0|0,0,0]=2 656 B10R1.13 c1cc(ccc1C(=O)O)O A13700 [0,1,0,0,1,0|0,0,0]=2 657 B10R1.13 c1cc(ccc1C(=O)[O-])O H56590 [0,1,0,0,1,0|0,0,1]=3 658 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [0,1,0,0,1,0|1,1,0]=4 659 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,1,0,0,1,0|1,1,0]=4 660 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [0,1,0,0,1,0|1,1,0]=4 661 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [0,1,0,0,1,0|1,1,0]=4 662 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [0,1,0,0,1,0|1,1,0]=4 663 B10R1.13 c1cc(ccc1Cl)[Se](=O)O B21186 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] A10369 [0,1,0,0,1,0|1,0,1]=4 665 B10R1.13 c1cc(ccc1S(=O)[O-])Br B20281 [0,1,0,0,1,0|1,0,1]=4 666 B10R1.13 c1cc(ccc1S(=O)[O-])Cl A12583 [0,1,0,0,1,0|1,0,1]=4 667 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br A17705 [0,1,0,0,1,0|1,0,1]=4 668 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl A15396 [0,1,0,0,1,0|1,0,1]=4 669 B10R1.13 c1cc(ccc1[N+](=O)[O-])F A11057 [0,1,0,0,1,0|1,0,1]=4 670 B10R1.13 c1cc(ccc1[N+](=O)[O-])I B23950 [0,1,0,0,1,0|1,0,1]=4 671 B10R1.13 c1cc(ccc1[N+](=O)[O-])O A14376 [0,1,0,0,1,0|1,0,1]=4 672 B10R1.13 c1cc(ccc1[N+](=O)[O-])S H59240 [0,1,0,0,1,0|1,0,1]=4 673 B10R1.13 c1cc(ncc1Br)C(=O)Cl H61760 [0,1,0,0,1,0|2,0,0]=4 674 B10R1.13 c1cc(ncc1Br)C(=O)O B25675 [0,1,0,0,1,0|1,0,0]=3 675 B10R1.13 c1cc(ncc1C(=O)Cl)Cl A12354 [0,1,0,0,1,0|2,0,0]=4 676 B10R1.13 c1cc(ncc1C(=O)N)Cl B21922 [0,1,0,0,1,0|2,0,0]=4 677 B10R1.13 c1cc(ncc1C(=O)N)N L06692 [0,1,0,0,1,0|2,0,0]=4 678 B10R1.13 c1cc(ncc1C(=O)O)Br H27926 [0,1,0,0,1,0|1,0,0]=3 679 B10R1.13 c1cc(ncc1C(=O)O)Cl A15620 [0,1,0,0,1,0|1,0,0]=3 680 B10R1.13 c1cc(ncc1C(=O)O)F H55147 [0,1,0,0,1,0|1,0,0]=3 681 B10R1.13 c1cc(ncc1C(=O)O)N A11223 [0,1,0,0,1,0|1,0,0]=3 682 B10R1.13 c1cc(ncc1C(=O)O)O A15802 [0,1,0,0,1,0|1,0,0]=3 683 B10R1.13 c1cc(ncc1Cl)C(=O)O H30923 [0,1,0,0,1,0|1,0,0]=3 684 B10R1.13 c1cc(ncc1F)C(=O)O H32086 [0,1,0,0,1,0|1,0,0]=3 685 B10R1.13 c1cc(ncc1N)C(=O)O H27589 [0,1,0,0,1,0|1,0,0]=3 686 B10R1.13 c1cc(ncc1O)C(=O)O H64265 [0,1,0,0,1,0|1,0,0]=3 687 B10R1.28 CC(C)(c1ccccc1)O A15580 [0,1,0,0,1,0|1,0,1]=4 688 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [0,1,0,0,1,0|2,0,0]=4 689 B10R1.28 CP(=O)(c1ccccc1)O A19774 [0,1,0,0,1,0|1,0,0]=3 690 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [0,1,0,0,1,0|1,0,1]=4 691 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [0,1,0,0,1,0|2,0,0]=4 692 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [0,1,0,0,1,0|2,0,0]=4 693 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [0,1,0,0,1,0|1,1,0]=4 694 B10R1.28 c1cc(cnc1)S(=O)(=O)O A13101 [0,1,0,0,1,0|2,0,0]=4 695 B10R1.28 c1ccc(cc1)P(=O)(Cl)Cl A13777 [0,1,0,0,1,0|2,0,0]=4 696 B10R1.28 c1ccc(cc1)P(=O)(O)O B22939 [0,1,0,0,1,0|1,0,0]=3 697 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl A10849 [0,1,0,0,1,0|1,0,1]=4 698 B10R1.28 c1ccc(cc1)S(=O)(=O)Cl L19465 [0,1,0,0,1,0|1,0,1]=4 699 B10R1.28 c1ccc(cc1)S(=O)(=O)F L04689 [0,1,0,0,1,0|1,0,1]=4 700 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [0,1,0,0,1,0|1,0,1]=4 701 B10R1.28 c1ccc(cc1)S(=O)(=O)O A16148 [0,1,0,0,1,0|1,0,0]=3 702 B10R1.28 c1ccc(cc1)S(=O)(=O)O L19077 [0,1,0,0,1,0|1,0,0]=3 703 B10R1.28 c1ccc(cc1)S(=O)(=O)[O-] L12072 [0,1,0,0,1,0|1,0,1]=4 704 B10R1.28 c1ccc(cc1)[As](=O)(O)O A10625 [0,1,0,0,1,0|1,0,0]=3 705 B10R1.61 B(c1ccccc1Br)(O)O L18581 [0,1,0,0,1,0|1,0,1]=4 706 B10R1.61 B(c1ccccc1C)(O)O B23154 [0,1,0,0,1,0|1,0,1]=4 707 B10R1.61 B(c1ccccc1Cl)(O)O B23324 [0,1,0,0,1,0|1,0,1]=4 708 B10R1.61 B(c1ccccc1F)(O)O B23103 [0,1,0,0,1,0|1,0,1]=4 709 B10R1.61 B(c1ccccc1N)(O)O L18069 [0,1,0,0,1,0|1,0,1]=4 710 B10R1.61 B(c1ccccc1O)(O)O L19400 [0,1,0,0,1,0|1,0,1]=4 711 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,1,0,0,1,0|1,0,0]=3 712 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,1,0,0,1,0|1,0,0]=3 713 B10R1.61 CC(=O)c1ccccc1F A15128 [0,1,0,0,1,0|1,0,0]=3 714 B10R1.61 CC(=O)c1ccccc1I B25345 [0,1,0,0,1,0|1,0,0]=3 715 B10R1.61 CC(=O)c1ccccc1N A10895 [0,1,0,0,1,0|1,0,0]=3 716 B10R1.61 CC(=O)c1ccccc1O A12550 [0,1,0,0,1,0|1,0,0]=3 717 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,1,0,0,1,0|1,0,1]=4 718 B10R1.61 CC(c1ccccc1F)O H31900 [0,1,0,0,1,0|1,0,1]=4 719 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,1,0,0,1,0|1,0,1]=4 720 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [0,1,0,0,1,0|1,0,1]=4 721 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,1,0,0,1,0|1,0,1]=4 722 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,1,0,0,1,0|2,0,0]=4 723 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,1,0,0,1,0|1,0,0]=3 724 B10R1.61 Cc1ccccc1C(=O)Cl A10775 [0,1,0,0,1,0|1,0,0]=3 725 B10R1.61 Cc1ccccc1C(=O)O A13856 [0,1,0,0,1,0|0,0,0]=2 726 B10R1.61 Cc1ccccc1C(=S)N H51790 [0,1,0,0,1,0|1,1,0]=4 727 B10R1.61 Cc1ccccc1C(C)O L08065 [0,1,0,0,1,0|1,0,1]=4 728 B10R1.61 Cc1ccccc1[N+](=O)[O-] A13446 [0,1,0,0,1,0|1,0,1]=4 729 B10R1.61 Cc1ccncc1C(=O)C H33380 [0,1,0,0,1,0|2,0,0]=4 730 B10R1.61 Cc1ccncc1C(=O)O B22367 [0,1,0,0,1,0|1,0,0]=3 731 B10R1.61 c1cc(c(nc1)Br)C(=O)O H30239 [0,1,0,0,1,0|1,0,0]=3 732 B10R1.61 c1cc(c(nc1)C(=O)O)Br H64258 [0,1,0,0,1,0|1,0,0]=3 733 B10R1.61 c1cc(c(nc1)C(=O)O)Cl H26024 [0,1,0,0,1,0|1,0,0]=3 734 B10R1.61 c1cc(c(nc1)C(=O)O)F H61458 [0,1,0,0,1,0|1,0,0]=3 735 B10R1.61 c1cc(c(nc1)C(=O)O)N H64861 [0,1,0,0,1,0|1,0,0]=3 736 B10R1.61 c1cc(c(nc1)C(=O)O)O L07489 [0,1,0,0,1,0|1,0,0]=3 737 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl A11048 [0,1,0,0,1,0|2,0,0]=4 738 B10R1.61 c1cc(c(nc1)Cl)C(=O)N A12090 [0,1,0,0,1,0|2,0,0]=4 739 B10R1.61 c1cc(c(nc1)Cl)C(=O)O A17082 [0,1,0,0,1,0|1,0,0]=3 740 B10R1.61 c1cc(c(nc1)F)C(=O)O L19442 [0,1,0,0,1,0|1,0,0]=3 741 B10R1.61 c1cc(c(nc1)N)C(=O)N H66202 [0,1,0,0,1,0|2,0,0]=4 742 B10R1.61 c1cc(c(nc1)N)C(=O)O A11195 [0,1,0,0,1,0|1,0,0]=3 743 B10R1.61 c1cc(c(nc1)O)C(=O)O A15986 [0,1,0,0,1,0|1,0,0]=3 744 B10R1.61 c1cc(c(nc1)S)C(=O)O A14683 [0,1,0,0,1,0|1,0,0]=3 745 B10R1.61 c1ccc(c(c1)C(=O)Cl)Br A14520 [0,1,0,0,1,0|1,0,0]=3 746 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl A14785 [0,1,0,0,1,0|1,0,0]=3 747 B10R1.61 c1ccc(c(c1)C(=O)Cl)F A16096 [0,1,0,0,1,0|1,0,0]=3 748 B10R1.61 c1ccc(c(c1)C(=O)Cl)I A13558 [0,1,0,0,1,0|1,0,0]=3 749 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,1,0,0,1,0|1,0,0]=3 750 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,1,0,0,1,0|1,0,0]=3 751 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,1,0,0,1,0|1,0,0]=3 752 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,1,0,0,1,0|1,0,0]=3 753 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,1,0,0,1,0|1,0,0]=3 754 B10R1.61 c1ccc(c(c1)C(=O)O)Br A13608 [0,1,0,0,1,0|0,0,0]=2 755 B10R1.61 c1ccc(c(c1)C(=O)O)Cl A10832 [0,1,0,0,1,0|0,0,0]=2 756 B10R1.61 c1ccc(c(c1)C(=O)O)F A11015 [0,1,0,0,1,0|0,0,0]=2 757 B10R1.61 c1ccc(c(c1)C(=O)O)I A10563 [0,1,0,0,1,0|0,0,0]=2 758 B10R1.61 c1ccc(c(c1)C(=O)O)N A12715 [0,1,0,0,1,0|0,0,0]=2 759 B10R1.61 c1ccc(c(c1)C(=O)O)O 30782 [0,1,0,0,1,0|0,0,0]=2 760 B10R1.61 c1ccc(c(c1)C(=O)O)O A12253 [0,1,0,0,1,0|0,0,0]=2 761 B10R1.61 c1ccc(c(c1)C(=O)O)S A13401 [0,1,0,0,1,0|0,0,0]=2 762 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 18585 [0,1,0,0,1,0|0,0,1]=3 763 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39356 [0,1,0,0,1,0|0,0,1]=3 764 B10R1.61 c1ccc(c(c1)C(=O)[O-])O 39379 [0,1,0,0,1,0|0,0,1]=3 765 B10R1.61 c1ccc(c(c1)C(=O)[O-])O A17056 [0,1,0,0,1,0|0,0,1]=3 766 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [0,1,0,0,1,0|1,1,0]=4 767 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [0,1,0,0,1,0|1,1,0]=4 768 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [0,1,0,0,1,0|1,1,0]=4 769 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] A11055 [0,1,0,0,1,0|1,0,1]=4 770 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br A11686 [0,1,0,0,1,0|1,0,1]=4 771 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl A15403 [0,1,0,0,1,0|1,0,1]=4 772 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F A13852 [0,1,0,0,1,0|1,0,1]=4 773 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I A12100 [0,1,0,0,1,0|1,0,1]=4 774 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])O A12333 [0,1,0,0,1,0|1,0,1]=4 775 B10R1.61 c1cnc(c(n1)C(=O)O)N B23707 [0,1,0,0,1,0|2,0,0]=4 776 B10R1.61 c1cncc(c1Br)C(=O)O H66322 [0,1,0,0,1,0|1,0,0]=3 777 B10R1.61 c1cncc(c1C(=O)O)Br H31047 [0,1,0,0,1,0|1,0,0]=3 778 B10R1.61 c1cncc(c1C(=O)O)Cl H63669 [0,1,0,0,1,0|1,0,0]=3 779 B10R1.61 c1cncc(c1C(=O)O)F L20042 [0,1,0,0,1,0|1,0,0]=3 780 B10R1.61 c1cncc(c1C(=O)O)N H28714 [0,1,0,0,1,0|1,0,0]=3 781 B10R1.61 c1cncc(c1C(=O)O)O H63465 [0,1,0,0,1,0|1,0,0]=3 782 B10R1.61 c1cncc(c1Cl)C(=O)O L20029 [0,1,0,0,1,0|1,0,0]=3 783 B10R1.61 c1cncc(c1N)C(=O)O H50032 [0,1,0,0,1,0|1,0,0]=3 784 B10R1.61 c1cncc(c1O)C(=O)O H32282 [0,1,0,0,1,0|1,0,0]=3 785 B10R1.113 B(c1cccc(c1)Br)(O)O L16354 [0,1,0,0,1,0|1,0,1]=4 786 B10R1.113 B(c1cccc(c1)C)(O)O B23025 [0,1,0,0,1,0|1,0,1]=4 787 B10R1.113 B(c1cccc(c1)Cl)(O)O B24444 [0,1,0,0,1,0|1,0,1]=4 788 B10R1.113 B(c1cccc(c1)F)(O)O B21247 [0,1,0,0,1,0|1,0,1]=4 789 B10R1.113 B(c1cccc(c1)I)(O)O H51112 [0,1,0,0,1,0|1,0,1]=4 790 B10R1.113 B(c1cccc(c1)N)(O)O A17240 [0,1,0,0,1,0|1,0,1]=4 791 B10R1.113 B(c1cccc(c1)N)(O)O A18189 [0,1,0,0,1,0|1,0,1]=4 792 B10R1.113 B(c1cccc(c1)N)(O)O H52595 [0,1,0,0,1,0|1,0,1]=4 793 B10R1.113 B(c1cccc(c1)N)(O)O H52909 [0,1,0,0,1,0|1,0,1]=4 794 B10R1.113 B(c1cccc(c1)O)(O)O L19061 [0,1,0,0,1,0|1,0,1]=4 795 B10R1.113 CC(=O)c1cc(ccn1)Br H66562 [0,1,0,0,1,0|2,0,0]=4 796 B10R1.113 CC(=O)c1cc(cnc1)Br L19362 [0,1,0,0,1,0|2,0,0]=4 797 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [0,1,0,0,1,0|1,0,0]=3 798 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [0,1,0,0,1,0|1,0,0]=3 799 B10R1.113 CC(=O)c1cccc(c1)F A11733 [0,1,0,0,1,0|1,0,0]=3 800 B10R1.113 CC(=O)c1cccc(c1)N A12503 [0,1,0,0,1,0|1,0,0]=3 801 B10R1.113 CC(=O)c1cccc(c1)O A12547 [0,1,0,0,1,0|1,0,0]=3 802 B10R1.113 CC(=O)c1cccc(n1)Br H55981 [0,1,0,0,1,0|2,0,0]=4 803 B10R1.113 CC(=O)c1ccnc(c1)Cl H33619 [0,1,0,0,1,0|2,0,0]=4 804 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [0,1,0,0,1,0|1,0,1]=4 805 B10R1.113 CC(c1cccc(c1)F)O B23144 [0,1,0,0,1,0|1,0,1]=4 806 B10R1.113 CC(c1cccc(c1)N)O L06513 [0,1,0,0,1,0|1,0,1]=4 807 B10R1.113 Cc1cc(ccn1)C(=O)O H57969 [0,1,0,0,1,0|1,0,0]=3 808 B10R1.113 Cc1cc(cnc1)C(=O)N L18970 [0,1,0,0,1,0|2,0,0]=4 809 B10R1.113 Cc1cc(cnc1)C(=O)O L16370 [0,1,0,0,1,0|1,0,0]=3 810 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [0,1,0,0,1,0|2,0,0]=4 811 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [0,1,0,0,1,0|1,0,0]=3 812 B10R1.113 Cc1cccc(c1)C(=O)Cl B23914 [0,1,0,0,1,0|1,0,0]=3 813 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [0,1,0,0,1,0|1,0,0]=3 814 B10R1.113 Cc1cccc(c1)C(=O)O A13785 [0,1,0,0,1,0|0,0,0]=2 815 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [0,1,0,0,1,0|1,1,0]=4 816 B10R1.113 Cc1cccc(c1)C(C)O H32784 [0,1,0,0,1,0|1,0,1]=4 817 B10R1.113 Cc1cccc(n1)C(=O)C H65997 [0,1,0,0,1,0|2,0,0]=4 818 B10R1.113 Cc1cccc(n1)C(=O)O H26302 [0,1,0,0,1,0|1,0,0]=3 819 B10R1.113 c1c(cncc1Br)C(=O)Cl L15510 [0,1,0,0,1,0|2,0,0]=4 820 B10R1.113 c1c(cncc1Br)C(=O)N A17840 [0,1,0,0,1,0|2,0,0]=4 821 B10R1.113 c1c(cncc1Br)C(=O)O A13589 [0,1,0,0,1,0|1,0,0]=3 822 B10R1.113 c1c(cncc1Cl)C(=O)O H26804 [0,1,0,0,1,0|1,0,0]=3 823 B10R1.113 c1c(cncc1F)C(=O)O H61162 [0,1,0,0,1,0|1,0,0]=3 824 B10R1.113 c1c(cncc1N)C(=O)O H60192 [0,1,0,0,1,0|1,0,0]=3 825 B10R1.113 c1c(cncc1O)C(=O)O H30725 [0,1,0,0,1,0|1,0,0]=3 826 B10R1.113 c1c(nc(cn1)Cl)C(=O)O H66404 [0,1,0,0,1,0|2,0,0]=4 827 B10R1.113 c1cc(cc(c1)Br)C(=O)Cl A15256 [0,1,0,0,1,0|1,0,0]=3 828 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [0,1,0,0,1,0|1,0,0]=3 829 B10R1.113 c1cc(cc(c1)Br)C(=O)O A12606 [0,1,0,0,1,0|0,0,0]=2 830 B10R1.113 c1cc(cc(c1)Cl)C(=O)Cl A13509 [0,1,0,0,1,0|1,0,0]=3 831 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [0,1,0,0,1,0|1,0,0]=3 832 B10R1.113 c1cc(cc(c1)Cl)C(=O)O A10876 [0,1,0,0,1,0|0,0,0]=2 833 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [0,1,0,0,1,0|1,1,0]=4 834 B10R1.113 c1cc(cc(c1)Cl)[N+](=O)[O-] B23423 [0,1,0,0,1,0|1,0,1]=4 835 B10R1.113 c1cc(cc(c1)F)C(=O)Cl L09152 [0,1,0,0,1,0|1,0,0]=3 836 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [0,1,0,0,1,0|1,0,0]=3 837 B10R1.113 c1cc(cc(c1)F)C(=O)O A16511 [0,1,0,0,1,0|0,0,0]=2 838 B10R1.113 c1cc(cc(c1)F)[N+](=O)[O-] B25553 [0,1,0,0,1,0|1,0,1]=4 839 B10R1.113 c1cc(cc(c1)I)C(=O)Cl L17451 [0,1,0,0,1,0|1,0,0]=3 840 B10R1.113 c1cc(cc(c1)I)C(=O)O A11515 [0,1,0,0,1,0|0,0,0]=2 841 B10R1.113 c1cc(cc(c1)I)[N+](=O)[O-] B21605 [0,1,0,0,1,0|1,0,1]=4 842 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [0,1,0,0,1,0|1,0,0]=3 843 B10R1.113 c1cc(cc(c1)N)C(=O)O A19540 [0,1,0,0,1,0|0,0,0]=2 844 B10R1.113 c1cc(cc(c1)N)C(=O)O L08407 [0,1,0,0,1,0|0,0,0]=2 845 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [0,1,0,0,1,0|1,1,0]=4 846 B10R1.113 c1cc(cc(c1)O)C(=O)O A13628 [0,1,0,0,1,0|0,0,0]=2 847 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [0,1,0,0,1,0|1,1,0]=4 848 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] A15312 [0,1,0,0,1,0|1,0,1]=4 849 B10R1.113 c1cc(cc(c1)[N+](=O)[O-])N A10629 [0,1,0,0,1,0|1,0,1]=4 850 B10R1.113 c1cc(nc(c1)Br)C(=O)N H31811 [0,1,0,0,1,0|2,0,0]=4 851 B10R1.113 c1cc(nc(c1)Br)C(=O)O H30553 [0,1,0,0,1,0|1,0,0]=3 852 B10R1.113 c1cc(nc(c1)Cl)C(=O)N H33547 [0,1,0,0,1,0|2,0,0]=4 853 B10R1.113 c1cc(nc(c1)Cl)C(=O)O L19448 [0,1,0,0,1,0|1,0,0]=3 854 B10R1.113 c1cc(nc(c1)F)C(=O)N H32911 [0,1,0,0,1,0|2,0,0]=4 855 B10R1.113 c1cc(nc(c1)F)C(=O)O H26106 [0,1,0,0,1,0|1,0,0]=3 856 B10R1.113 c1cc(nc(c1)N)C(=O)O H31861 [0,1,0,0,1,0|1,0,0]=3 857 B10R1.113 c1cnc(cc1Br)C(=O)O H64244 [0,1,0,0,1,0|1,0,0]=3 858 B10R1.113 c1cnc(cc1C(=O)N)Br L19854 [0,1,0,0,1,0|2,0,0]=4 859 B10R1.113 c1cnc(cc1C(=O)N)Cl H25769 [0,1,0,0,1,0|2,0,0]=4 860 B10R1.113 c1cnc(cc1C(=O)N)I H31468 [0,1,0,0,1,0|2,0,0]=4 861 B10R1.113 c1cnc(cc1C(=O)N)N L19843 [0,1,0,0,1,0|2,0,0]=4 862 B10R1.113 c1cnc(cc1C(=O)O)Br L19855 [0,1,0,0,1,0|1,0,0]=3 863 B10R1.113 c1cnc(cc1C(=O)O)Cl L19449 [0,1,0,0,1,0|1,0,0]=3 864 B10R1.113 c1cnc(cc1C(=O)O)F 44755 [0,1,0,0,1,0|1,0,0]=3 865 B10R1.113 c1cnc(cc1C(=O)O)I H31002 [0,1,0,0,1,0|1,0,0]=3 866 B10R1.113 c1cnc(cc1C(=O)O)N L19845 [0,1,0,0,1,0|1,0,0]=3 867 B10R1.113 c1cnc(cc1C(=O)O)O H64241 [0,1,0,0,1,0|1,0,0]=3 868 B10R1.113 c1cnc(cc1Cl)C(=O)N H65265 [0,1,0,0,1,0|2,0,0]=4 869 B10R1.113 c1cnc(cc1Cl)C(=O)O H32301 [0,1,0,0,1,0|1,0,0]=3 870 B10R1.113 c1cnc(cc1O)C(=O)O H34262 [0,1,0,0,1,0|1,0,0]=3 871 B10R1.23 c1cc(sc1)C(=O)C(=O)O L05153 [0,1,0,0,1,0|1,0,1]=4 872 B10R1.27 COC(=O)Cc1cccs1 A12110 [0,1,0,0,1,0|1,0,0]=3 873 B10R1.27 COC(=O)Cc1ccsc1 A12496 [0,1,0,0,1,0|1,0,0]=3 874 B10R1.27 c1cc(sc1)C\C(=N\O)\N H58358 [0,1,0,0,1,0|2,0,0]=4 875 B10R1.27 c1cscc1CC(=O)NN L12077 [0,1,0,0,1,0|2,0,0]=4 876 B10R1.54 c1c(nc(s1)N)CC(=O)O B23534 [0,1,0,0,1,0|2,0,0]=4 877 B10R1.54 c1c(nc(s1)N)CC(=O)O H28840 [0,1,0,0,1,0|2,0,0]=4 878 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [0,1,0,0,0,1|1,0,0]=3 879 B12R1.21 CC(=O)CSc1ccc(cc1)F B20094 [0,1,0,0,0,1|1,0,0]=3 880 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl L05321 [0,1,0,0,0,1|1,0,1]=4 881 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O A17605 [0,1,0,0,0,1|1,0,1]=4 882 B12R1.21 Cc1ccc(cc1)CCC(=O)O A14513 [0,1,0,0,0,1|0,0,0]=2 883 B12R1.21 Cc1ccc(cc1)COC(=O)C B22318 [0,1,0,0,0,1|1,0,0]=3 884 B12R1.21 Cc1ccc(cc1)OCC(=O)O A13230 [0,1,0,0,0,1|0,0,0]=2 885 B12R1.21 Cc1ccc(cc1)SCC(=O)C B20247 [0,1,0,0,0,1|1,0,0]=3 886 B12R1.21 Cc1ccc(cc1)\C=C\C(=O)O A13337 [0,1,0,0,0,1|0,0,1]=3 887 B12R1.21 c1cc(ccc1CCC(=O)O)Br H26785 [0,1,0,0,0,1|0,0,0]=2 888 B12R1.21 c1cc(ccc1CCC(=O)O)Cl H50204 [0,1,0,0,0,1|0,0,0]=2 889 B12R1.21 c1cc(ccc1CCC(=O)O)F L17008 [0,1,0,0,0,1|0,0,0]=2 890 B12R1.21 c1cc(ccc1CCC(=O)O)N L19330 [0,1,0,0,0,1|0,0,0]=2 891 B12R1.21 c1cc(ccc1CCC(=O)O)O A14567 [0,1,0,0,0,1|0,0,0]=2 892 B12R1.21 c1cc(ccc1CNC(=O)N)F A12865 [0,1,0,0,0,1|1,0,0]=3 893 B12R1.21 c1cc(ccc1CSC(=[NH2+])N)Cl B25362 [0,1,0,0,0,1|2,0,0]=4 894 B12R1.21 c1cc(ccc1F)SCC(=O)O A19658 [0,1,0,0,0,1|0,0,0]=2 895 B12R1.21 c1cc(ccc1N)SCC(=O)O A19834 [0,1,0,0,0,1|0,0,0]=2 896 B12R1.21 c1cc(ccc1NCC(=O)O)O A16843 [0,1,0,0,0,1|0,0,0]=2 897 B12R1.21 c1cc(ccc1O)OCC(=O)O A12940 [0,1,0,0,0,1|0,0,0]=2 898 B12R1.21 c1cc(ccc1OCC(=O)Cl)Cl L09860 [0,1,0,0,0,1|1,0,0]=3 899 B12R1.21 c1cc(ccc1OCC(=O)O)Br H60888 [0,1,0,0,0,1|0,0,0]=2 900 B12R1.21 c1cc(ccc1OCC(=O)O)Cl A13065 [0,1,0,0,0,1|0,0,0]=2 901 B12R1.21 c1cc(ccc1OCC(=O)O)F L01216 [0,1,0,0,0,1|0,0,0]=2 902 B12R1.21 c1cc(ccc1OCC(=O)O)I L01196 [0,1,0,0,0,1|0,0,0]=2 903 B12R1.21 c1cc(ccc1OCC(=S)N)Cl L12711 [0,1,0,0,0,1|1,1,0]=4 904 B12R1.21 c1cc(ccc1SCC(=O)O)Cl L08583 [0,1,0,0,0,1|0,0,0]=2 905 B12R1.21 c1cc(ccc1\C=C\C(=O)N)Cl L11406 [0,1,0,0,0,1|1,0,1]=4 906 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Br A11503 [0,1,0,0,0,1|0,0,1]=3 907 B12R1.21 c1cc(ccc1\C=C\C(=O)O)Cl A15304 [0,1,0,0,0,1|0,0,1]=3 908 B12R1.21 c1cc(ccc1\C=C\C(=O)O)F A16707 [0,1,0,0,0,1|0,0,1]=3 909 B12R1.21 c1cc(ccc1\C=C\C(=O)O)O A15167 [0,1,0,0,0,1|0,0,1]=3 910 B12R1.27 C=CC(=O)NCc1ccccc1 L11450 [0,1,0,0,0,1|1,0,0]=3 911 B12R1.27 C=CC(=O)OCc1ccccc1 43204 [0,1,0,0,0,1|1,0,0]=3 912 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [0,1,0,0,0,1|1,0,0]=3 913 B12R1.27 COC(=O)C#Cc1ccccc1 B24587 [0,1,0,0,0,1|0,0,1]=3 914 B12R1.27 COC(=O)CCc1ccccc1 L05310 [0,1,0,0,0,1|0,0,0]=2 915 B12R1.27 COC(=O)CCc1cccnc1 L14590 [0,1,0,0,0,1|1,0,0]=3 916 B12R1.27 COC(=O)CSc1ccccc1 L12649 [0,1,0,0,0,1|0,0,0]=2 917 B12R1.27 COC(=O)\C=C\c1ccccc1 A15975 [0,1,0,0,0,1|0,0,1]=3 918 B12R1.27 c1ccc(cc1)CNC(=S)NN L10920 [0,1,0,0,0,1|1,1,0]=4 919 B12R1.27 c1ccc(cc1)COC(=O)CBr A17630 [0,1,0,0,0,1|1,0,0]=3 920 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [0,1,0,0,0,1|1,0,0]=3 921 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [0,1,0,0,0,1|1,0,0]=3 922 B12R1.27 c1ccc(cc1)COC(=O)NN A13005 [0,1,0,0,0,1|1,0,0]=3 923 B12R1.27 c1ccc(cc1)COC(=O)NO L13175 [0,1,0,0,0,1|0,0,0]=2 924 B12R1.27 c1ccc(cc1)OCC(CN)O H50245 [0,1,0,0,0,1|1,0,1]=4 925 B12R1.27 c1ccc(cc1)OCC(CO)O B25701 [0,1,0,0,0,1|0,0,2]=4 926 B12R1.43 CC(C(=O)Cl)Oc1ccccc1 L04943 [0,1,0,0,0,1|1,0,0]=3 927 B12R1.43 C\C(=C/c1ccccc1)\C(=O)O L00806 [0,1,0,0,0,1|0,0,1]=3 928 B12R1.43 c1cc(cnc1)C[C@@H](C(=O)O)N H63941 [0,1,0,0,0,1|1,0,0]=3 929 B12R1.43 c1cc(cnc1)C[C@H](C(=O)O)N H63132 [0,1,0,0,0,1|1,0,0]=3 930 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] A14027 [0,1,0,0,0,1|0,0,1]=3 931 B12R1.43 c1ccc(cc1)CC(=O)C(=O)[O-] H56767 [0,1,0,0,0,1|0,0,1]=3 932 B12R1.43 c1ccc(cc1)CC(C(=O)O)N A10132 [0,1,0,0,0,1|0,0,0]=2 933 B12R1.43 c1ccc(cc1)CC(C(=O)O)O L09854 [0,1,0,0,0,1|0,0,0]=2 934 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H62030 [0,1,0,0,0,1|1,0,0]=3 935 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H65506 [0,1,0,0,0,1|1,0,0]=3 936 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N A13238 [0,1,0,0,0,1|0,0,0]=2 937 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)O A18203 [0,1,0,0,0,1|0,0,0]=2 938 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N H65853 [0,1,0,0,0,1|1,0,0]=3 939 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)N A10572 [0,1,0,0,0,1|0,0,0]=2 940 B12R1.43 c1ccc(cc1)C[C@H](C(=O)O)O H35096 [0,1,0,0,0,1|0,0,0]=2 941 B12R1.43 c1ccc(cc1)N[C@H](C(=O)O)Cl H28776 [0,1,0,0,0,1|0,0,0]=2 942 B12R1.43 c1ccnc(c1)C[C@@H](C(=O)O)N H63770 [0,1,0,0,0,1|1,0,0]=3 943 B12R1.43 c1ccnc(c1)C[C@H](C(=O)O)N H63291 [0,1,0,0,0,1|1,0,0]=3 944 B12R1.43 c1cnccc1C[C@@H](C(=O)O)N H63928 [0,1,0,0,0,1|1,0,0]=3 945 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,1,0,0,0,1|1,0,0]=3 946 B12R1.107 CC(CC(=O)O)c1ccccc1 L08078 [0,1,0,0,0,1|0,0,0]=2 947 B12R1.107 c1ccc(cc1)C(=O)NC(=O)N L11313 [0,1,0,0,0,1|1,0,1]=4 948 B12R1.107 c1ccc(cc1)C(CC(=O)O)N L19801 [0,1,0,0,0,1|0,0,0]=2 949 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N H52034 [0,1,0,0,0,1|0,0,0]=2 950 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)O L19040 [0,1,0,0,0,1|0,0,0]=2 951 B12R1.107 c1ccc(cc1)[C@H](CC(=O)O)O L19041 [0,1,0,0,0,1|0,0,0]=2 952 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,1,0,0,0,1|1,0,0]=3 953 B12R1.125 Cc1ccccc1CCC(=O)O H34375 [0,1,0,0,0,1|0,0,0]=2 954 B12R1.125 Cc1ccccc1OCC(=O)O A13076 [0,1,0,0,0,1|0,0,0]=2 955 B12R1.125 Cc1ccccc1\C=C\C(=O)O A14644 [0,1,0,0,0,1|0,0,1]=3 956 B12R1.125 c1cc(c(nc1)Cl)\C=C\C(=O)O H50051 [0,1,0,0,0,1|1,0,1]=4 957 B12R1.125 c1cc(c(nc1)N)\C=C\C(=O)O H50021 [0,1,0,0,0,1|1,0,1]=4 958 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br H33933 [0,1,0,0,0,1|0,0,0]=2 959 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl L15306 [0,1,0,0,0,1|0,0,0]=2 960 B12R1.125 c1ccc(c(c1)CCC(=O)O)F H34110 [0,1,0,0,0,1|0,0,0]=2 961 B12R1.125 c1ccc(c(c1)CCC(=O)O)O A14195 [0,1,0,0,0,1|0,0,0]=2 962 B12R1.125 c1ccc(c(c1)O)OCC(=O)O L03897 [0,1,0,0,0,1|0,0,0]=2 963 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl B25223 [0,1,0,0,0,1|1,0,0]=3 964 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl L00926 [0,1,0,0,0,1|0,0,0]=2 965 B12R1.125 c1ccc(c(c1)\C=C\C(=O)Cl)Cl L10521 [0,1,0,0,0,1|1,0,1]=4 966 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Br A11381 [0,1,0,0,0,1|0,0,1]=3 967 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)Cl L01606 [0,1,0,0,0,1|0,0,1]=3 968 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)F A15303 [0,1,0,0,0,1|0,0,1]=3 969 B12R1.125 c1ccc(c(c1)\C=C\C(=O)O)O A11740 [0,1,0,0,0,1|0,0,1]=3 970 B12R1.125 c1cncc(c1N)\C=C\C(=O)O H51665 [0,1,0,0,0,1|1,0,1]=4 971 B12R1.226 CC(=O)\C=C\c1cccc(c1)Cl A10332 [0,1,0,0,0,1|1,0,1]=4 972 B12R1.226 Cc1cccc(c1)CCC(=O)O H34395 [0,1,0,0,0,1|0,0,0]=2 973 B12R1.226 Cc1cccc(c1)OCC(=O)O B24869 [0,1,0,0,0,1|0,0,0]=2 974 B12R1.226 Cc1cccc(c1)\C=C\C(=O)O B20914 [0,1,0,0,0,1|0,0,1]=3 975 B12R1.226 Cc1ccnc(n1)SCC(=O)O L06671 [0,1,0,0,0,1|2,0,0]=4 976 B12R1.226 c1cc(cc(c1)Br)CCC(=O)O L18080 [0,1,0,0,0,1|0,0,0]=2 977 B12R1.226 c1cc(cc(c1)Br)\C=C\C(=O)O A16035 [0,1,0,0,0,1|0,0,1]=3 978 B12R1.226 c1cc(cc(c1)Cl)CCC(=O)O H33266 [0,1,0,0,0,1|0,0,0]=2 979 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)Cl L18427 [0,1,0,0,0,1|1,0,0]=3 980 B12R1.226 c1cc(cc(c1)Cl)OCC(=O)O L00939 [0,1,0,0,0,1|0,0,0]=2 981 B12R1.226 c1cc(cc(c1)Cl)\C=C\C(=O)O A13416 [0,1,0,0,0,1|0,0,1]=3 982 B12R1.226 c1cc(cc(c1)F)CCC(=O)O H27847 [0,1,0,0,0,1|0,0,0]=2 983 B12R1.226 c1cc(cc(c1)F)NCC(=O)O B22812 [0,1,0,0,0,1|0,0,0]=2 984 B12R1.226 c1cc(cc(c1)F)\C=C\C(=O)O B20818 [0,1,0,0,0,1|0,0,1]=3 985 B12R1.226 c1cc(cc(c1)N)CCC(=O)O L19329 [0,1,0,0,0,1|0,0,0]=2 986 B12R1.226 c1cc(cc(c1)O)CCC(=O)O L01279 [0,1,0,0,0,1|0,0,0]=2 987 B12R1.226 c1cc(cc(c1)O)\C=C\C(=O)O A14466 [0,1,0,0,0,1|0,0,1]=3 988 B12R1.891 c1ccc(cc1)CCS(=O)(=O)Cl H35462 [0,1,0,0,0,1|1,0,1]=4 989 B12R1.891 c1cnccc1CCS(=O)(=O)O L11906 [0,1,0,0,0,1|2,0,0]=4 990 B12R1.4 CC(=O)Cc1ccc(cc1)OC A13209 [0,2,0,0,0,0|1,0,0]=3 991 B12R1.4 CC(=O)Nc1ccc(cc1)C#N A14941 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.4 CC(=O)Nc1ccc(cc1)C=O B20430 [0,2,0,0,0,0|2,0,0]=4 993 B12R1.4 CC(=O)Nc1ccc(cc1)CO H33454 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.4 CC(=O)Nc1ccc(cc1)OC A13253 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.4 CC(=O)Oc1ccc(cc1)C#N H54358 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.4 CC(=O)Oc1ccc(cc1)C=C L11601 [0,2,0,0,0,0|2,0,0]=4 997 B12R1.4 CC(=O)Oc1ccc(cc1)C=O B24907 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.4 CCc1ccc(cc1)CC(=O)C A18810 [0,2,0,0,0,0|1,0,0]=3 999 B12R1.4 COc1ccc(cc1)CC(=O)Cl L15256 [0,2,0,0,0,0|1,0,0]=3 1000 B12R1.4 COc1ccc(cc1)CC(=O)N L05644 [0,2,0,0,0,0|1,0,0]=3 1001 B12R1.4 COc1ccc(cc1)CC(=O)O A14399 [0,2,0,0,0,0|0,0,0]=2 1002 B12R1.4 COc1ccc(cc1)CC(=S)N H26742 [0,2,0,0,0,0|1,1,0]=4 1003 B12R1.4 COc1ccc(cc1)NC(=O)N L01203 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.4 CSc1ccc(cc1)CC(=O)O H26888 [0,2,0,0,0,0|0,0,0]=2 1005 B12R1.4 c1cc(ccc1CC(=O)O)C#N H26062 [0,2,0,0,0,0|0,0,0]=2 1006 B12R1.4 c1cc(ccc1CC(=O)O)CBr H27744 [0,2,0,0,0,0|0,0,0]=2 1007 B12R1.4 c1cc(ccc1CC(=O)O)CO H27531 [0,2,0,0,0,0|0,0,0]=2 1008 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br A16547 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F B24771 [0,2,0,0,0,0|2,0,0]=4 1010 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br B25531 [0,2,0,0,0,0|2,0,0]=4 1011 B12R1.19 Cc1cc(ccc1Br)NC(=O)C B21980 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.19 Cc1cc(ccc1F)CC(=O)O H30525 [0,2,0,0,0,0|0,0,0]=2 1013 B12R1.19 Cc1ccc(cc1C)CC(=O)O H63178 [0,2,0,0,0,0|0,0,0]=2 1014 B12R1.19 Cc1ccc(cc1C)NC(=O)C L01919 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.19 Cc1ccc(cc1Cl)NC(=O)C A19336 [0,2,0,0,0,0|2,0,0]=4 1016 B12R1.19 Cc1ccc(cc1F)CC(=O)O H26690 [0,2,0,0,0,0|0,0,0]=2 1017 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F H63622 [0,2,0,0,0,0|0,0,0]=2 1018 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl A15653 [0,2,0,0,0,0|0,0,0]=2 1019 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F H26114 [0,2,0,0,0,0|0,0,0]=2 1020 B12R1.19 c1cc(c(cc1CC(=O)O)F)Br H63809 [0,2,0,0,0,0|0,0,0]=2 1021 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl H26592 [0,2,0,0,0,0|0,0,0]=2 1022 B12R1.19 c1cc(c(cc1CC(=O)O)F)F A16584 [0,2,0,0,0,0|0,0,0]=2 1023 B12R1.19 c1cc(c(cc1CC(=O)O)F)O A12114 [0,2,0,0,0,0|0,0,0]=2 1024 B12R1.19 c1cc(c(cc1CC(=O)O)O)O A15893 [0,2,0,0,0,0|0,0,0]=2 1025 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O L06020 [0,2,0,0,0,0|0,0,0]=2 1026 B12R1.20 CC(c1ccc(cc1)O)C(=O)O B24938 [0,2,0,0,0,0|0,0,0]=2 1027 B12R1.20 Cc1ccc(cc1)[C@H](C(=O)O)O H25953 [0,2,0,0,0,0|0,0,0]=2 1028 B12R1.20 c1cc(ccc1C(C(=O)O)Br)Cl H60141 [0,2,0,0,0,0|0,0,0]=2 1029 B12R1.20 c1cc(ccc1C(C(=O)O)Br)F H66692 [0,2,0,0,0,0|0,0,0]=2 1030 B12R1.20 c1cc(ccc1C(C(=O)O)N)Br H33865 [0,2,0,0,0,0|0,0,0]=2 1031 B12R1.20 c1cc(ccc1C(C(=O)O)N)Cl H59921 [0,2,0,0,0,0|0,0,0]=2 1032 B12R1.20 c1cc(ccc1C(C(=O)O)N)F L18932 [0,2,0,0,0,0|0,0,0]=2 1033 B12R1.20 c1cc(ccc1C(C(=O)O)O)Br A12978 [0,2,0,0,0,0|0,0,0]=2 1034 B12R1.20 c1cc(ccc1C(C(=O)O)O)Cl B24264 [0,2,0,0,0,0|0,0,0]=2 1035 B12R1.20 c1cc(ccc1C(C(=O)O)O)F A13391 [0,2,0,0,0,0|0,0,0]=2 1036 B12R1.20 c1cc(ccc1C(C(=O)O)O)O L05916 [0,2,0,0,0,0|0,0,0]=2 1037 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F H61495 [0,2,0,0,0,0|0,0,0]=2 1038 B12R1.20 c1cc(ccc1[C@H](C(=O)O)N)O L07190 [0,2,0,0,0,0|0,0,0]=2 1039 B12R1.49 COC(=O)Cc1ccc(cc1)F H32236 [0,2,0,0,0,0|0,0,0]=2 1040 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [0,2,0,0,0,0|0,0,0]=2 1041 B12R1.49 Cc1ccc(cc1)C\C(=N\O)\N H66026 [0,2,0,0,0,0|1,0,0]=3 1042 B12R1.49 c1cc(ccc1C\C(=N\O)\N)Br H66891 [0,2,0,0,0,0|1,0,0]=3 1043 B12R1.49 c1cc(ccc1C\C(=N\O)\N)F H66999 [0,2,0,0,0,0|1,0,0]=3 1044 B12R1.49 c1cc(ccc1C\C(=N\O)\N)N H66933 [0,2,0,0,0,0|1,0,0]=3 1045 B12R1.49 c1cc(ccc1NC(=O)CCl)F A17669 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl H26038 [0,2,0,0,0,0|1,0,1]=4 1047 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)Br H35667 [0,2,0,0,0,0|1,0,1]=4 1048 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)Cl H26017 [0,2,0,0,0,0|1,0,1]=4 1049 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)F H31605 [0,2,0,0,0,0|1,0,1]=4 1050 B12R1.106 c1cc(ccc1CS(=O)(=O)Cl)I H35915 [0,2,0,0,0,0|1,0,1]=4 1051 B12R1.233 CC(=O)Nc1ccc(cc1Br)F B25133 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br A18652 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl B21795 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F B21762 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.233 CC(=O)Nc1ccc(cc1Cl)N B25602 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.233 CC(=O)Nc1ccc(cc1F)Br A15723 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl A16940 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.233 CC(=O)Nc1ccc(cc1F)F A10490 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.233 Cc1cc(ccc1CC(=O)O)F H26365 [0,2,0,0,0,0|0,0,0]=2 1060 B12R1.233 Cc1cc(ccc1NC(=O)C)Br A18980 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl B22371 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C B22213 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.233 Cc1ccc(c(c1)C)CC(=O)O H50284 [0,2,0,0,0,0|0,0,0]=2 1064 B12R1.233 Cc1ccc(c(c1)C)NC(=O)C H55605 [0,2,0,0,0,0|2,0,0]=4 1065 B12R1.233 Cc1ccc(c(c1)C)NC(=O)N B25668 [0,2,0,0,0,0|2,0,0]=4 1066 B12R1.233 Cc1ccc(c(c1)F)CC(=O)O H26647 [0,2,0,0,0,0|0,0,0]=2 1067 B12R1.233 Cc1ccc(c(c1)O)NC(=O)C H66423 [0,2,0,0,0,0|2,0,0]=4 1068 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O H61176 [0,2,0,0,0,0|0,0,0]=2 1069 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O A11791 [0,2,0,0,0,0|0,0,0]=2 1070 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=S)N H26672 [0,2,0,0,0,0|1,1,0]=4 1071 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O H26512 [0,2,0,0,0,0|0,0,0]=2 1072 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O B22872 [0,2,0,0,0,0|0,0,0]=2 1073 B12R1.233 c1cc(c(cc1F)F)CC(=O)O B20431 [0,2,0,0,0,0|0,0,0]=2 1074 B12R1.34 CC(c1ccccc1)\C(=N\O)\N H66170 [0,2,0,0,0,0|1,0,0]=3 1075 B12R1.34 COC(=O)C(c1ccccc1)Br L09043 [0,2,0,0,0,0|0,0,0]=2 1076 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [0,2,0,0,0,0|0,0,0]=2 1077 B12R1.34 COC(=O)[C@@H](c1ccccc1)N L18735 [0,2,0,0,0,0|0,0,0]=2 1078 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [0,2,0,0,0,0|0,0,0]=2 1079 B12R1.34 COC(=O)[C@H](c1ccccc1)N H62874 [0,2,0,0,0,0|0,0,0]=2 1080 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [0,2,0,0,0,0|0,0,0]=2 1081 B12R1.34 c1ccc(cc1)C(C(=O)NN)O L11653 [0,2,0,0,0,0|1,0,0]=3 1082 B12R1.34 c1ccc(cc1)C(\C(=N\O)\N)O H58446 [0,2,0,0,0,0|1,0,0]=3 1083 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)N)O 42183 [0,2,0,0,0,0|1,0,1]=4 1084 B12R1.124 CC(=O)N(C)c1ccccc1Cl B25282 [0,2,0,0,0,0|2,0,0]=4 1085 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl B25518 [0,2,0,0,0,0|0,0,0]=2 1086 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl B21525 [0,2,0,0,0,0|0,0,0]=2 1087 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)F B25689 [0,2,0,0,0,0|0,0,0]=2 1088 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl H61152 [0,2,0,0,0,0|0,0,0]=2 1089 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl L19586 [0,2,0,0,0,0|0,0,0]=2 1090 B12R1.225 c1cc(cc(c1)Cl)C(C(=O)O)O B24937 [0,2,0,0,0,0|0,0,0]=2 1091 B12R1.253 CC(C)(c1ccccc1)C(=O)O 32884 [0,2,0,0,0,0|0,0,0]=2 1092 B12R1.253 CC(c1ccccc1)(C(=O)O)O L07851 [0,2,0,0,0,0|0,0,0]=2 1093 B12R1.253 C[C@@](c1ccccc1)(C(=O)O)O L08644 [0,2,0,0,0,0|0,0,0]=2 1094 B12R1.253 C[C@](c1ccccc1)(C(=O)O)O L08692 [0,2,0,0,0,0|0,0,0]=2 1095 B12R1.253 c1ccc(cc1)C(C(=O)O)(F)F H26028 [0,2,0,0,0,0|0,0,0]=2 1096 B12R1.478 CCC(c1ccccc1)C(=O)Cl B22997 [0,2,0,0,0,0|1,0,0]=3 1097 B12R1.478 CCC(c1ccccc1)C(=O)N A18501 [0,2,0,0,0,0|1,0,0]=3 1098 B12R1.478 CCC(c1ccccc1)C(=O)O B23222 [0,2,0,0,0,0|0,0,0]=2 1099 B12R1.478 CC[C@@H](c1ccccc1)C(=O)O L12754 [0,2,0,0,0,0|0,0,0]=2 1100 B12R1.478 CC[C@H](c1ccccc1)C(=O)O L09464 [0,2,0,0,0,0|0,0,0]=2 1101 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O L08748 [0,2,0,0,0,0|0,0,0]=2 1102 B12R1.478 CO[C@H](c1ccccc1)C(=O)O L08719 [0,2,0,0,0,0|0,0,0]=2 1103 B12R1.478 c1ccc(cc1)C(CO)C(=O)O B22040 [0,2,0,0,0,0|0,0,0]=2 1104 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [0,2,0,0,0,0|0,0,0]=2 1105 B12R1.32 CCOC(=O)Cc1ccccn1 B23988 [0,2,0,0,0,0|1,0,0]=3 1106 B12R1.32 CCOC(=O)Cc1cccnc1 A14768 [0,2,0,0,0,0|1,0,0]=3 1107 B12R1.32 CCOC(=O)Cc1ccncc1 A14550 [0,2,0,0,0,0|1,0,0]=3 1108 B12R1.32 CCOC(=O)Nc1ccccc1 L05027 [0,2,0,0,0,0|1,0,0]=3 1109 B12R1.50 Cc1cccc(c1)C\C(=N\O)\N H66784 [0,2,0,0,0,0|1,0,0]=3 1110 B12R1.118 COC(Cc1ccccc1)OC A18730 [0,2,0,0,0,0|0,0,2]=4 1111 B12R1.194 CO[Si](C)(C)Cc1ccccc1 H28574 [0,2,0,0,0,0|1,1,0]=4 1112 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [0,2,0,0,0,0|0,0,0]=2 1113 B12R1.75 CC(=O)Cc1ccccc1OC B24495 [0,2,0,0,0,0|1,0,0]=3 1114 B12R1.75 CC(=O)Oc1ccccc1OC B20242 [0,2,0,0,0,0|2,0,0]=4 1115 B12R1.75 COc1ccccc1CC(=O)O A15211 [0,2,0,0,0,0|0,0,0]=2 1116 B12R1.75 COc1ccccc1CC(=S)N H31541 [0,2,0,0,0,0|1,1,0]=4 1117 B12R1.127 Cc1ccc(c(c1)CC(=O)O)C L02022 [0,2,0,0,0,0|0,0,0]=2 1118 B12R1.127 Cc1ccc(c(c1)CC(=O)O)F H26482 [0,2,0,0,0,0|0,0,0]=2 1119 B12R1.127 Cc1ccc(c(c1)NC(=O)C)O B20630 [0,2,0,0,0,0|2,0,0]=4 1120 B12R1.127 Cc1ccc(cc1CC(=O)O)F H26390 [0,2,0,0,0,0|0,0,0]=2 1121 B12R1.127 c1cc(c(cc1Cl)CC(=O)O)F H26443 [0,2,0,0,0,0|0,0,0]=2 1122 B12R1.127 c1cc(c(cc1F)CC(=O)O)Br H62005 [0,2,0,0,0,0|0,0,0]=2 1123 B12R1.127 c1cc(c(cc1F)CC(=O)O)Cl H26803 [0,2,0,0,0,0|0,0,0]=2 1124 B12R1.127 c1cc(c(cc1F)CC(=O)O)F B21595 [0,2,0,0,0,0|0,0,0]=2 1125 B12R1.127 c1cc(c(cc1O)CC(=O)O)O H60742 [0,2,0,0,0,0|0,0,0]=2 1126 B12R1.151 Cc1ccccc1CP(=O)(O)O L13066 [0,2,0,0,0,0|1,0,0]=3 1127 B12R1.224 Cc1c(cccc1Cl)NC(=O)C B22562 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.224 Cc1c(cccc1F)CC(=O)O H26303 [0,2,0,0,0,0|0,0,0]=2 1129 B12R1.224 Cc1cccc(c1C)CC(=O)O H63947 [0,2,0,0,0,0|0,0,0]=2 1130 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=O)O H32763 [0,2,0,0,0,0|0,0,0]=2 1131 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=S)N H34058 [0,2,0,0,0,0|1,1,0]=4 1132 B12R1.224 c1cc(c(c(c1)Cl)F)CC(=O)O H26465 [0,2,0,0,0,0|0,0,0]=2 1133 B12R1.224 c1cc(c(c(c1)F)F)CC(=O)O A16728 [0,2,0,0,0,0|0,0,0]=2 1134 B12R1.1009 CC(=O)Nc1c(cccc1Cl)Cl A15195 [0,2,0,0,0,0|2,0,0]=4 1135 B12R1.1009 Cc1cccc(c1NC(=O)C)C B25687 [0,2,0,0,0,0|2,0,0]=4 1136 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl B21354 [0,2,0,0,0,0|0,0,0]=2 1137 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F A10460 [0,2,0,0,0,0|0,0,0]=2 1138 B12R1.1009 c1cc(c(c(c1)Cl)CC(=S)N)Cl H26746 [0,2,0,0,0,0|1,1,0]=4 1139 B12R1.1009 c1cc(c(c(c1)F)CC(=O)O)F A18063 [0,2,0,0,0,0|0,0,0]=2 1140 B12R1.101 Cc1cc(cc(c1)CC(=O)O)C L09707 [0,2,0,0,0,0|0,0,0]=2 1141 B12R1.101 Cc1cc(cc(c1)F)CC(=O)O H26363 [0,2,0,0,0,0|0,0,0]=2 1142 B12R1.101 c1c(cc(cc1Cl)Cl)CC(=O)O H63293 [0,2,0,0,0,0|0,0,0]=2 1143 B12R1.101 c1c(cc(cc1F)Cl)CC(=O)O H26665 [0,2,0,0,0,0|0,0,0]=2 1144 B12R1.101 c1c(cc(cc1F)F)CC(=O)O A19484 [0,2,0,0,0,0|0,0,0]=2 1145 B12R1.119 c1cc(cc(c1)Cl)CS(=O)(=O)Cl B24073 [0,2,0,0,0,0|1,0,1]=4 1146 B12R1.438 CC(=O)Cc1cccc(c1)OC B20916 [0,2,0,0,0,0|1,0,0]=3 1147 B12R1.438 CC(=O)Oc1cccc(c1)C#N H54037 [0,2,0,0,0,0|2,0,0]=4 1148 B12R1.438 CC(=O)Oc1cccc(c1)C=O L13431 [0,2,0,0,0,0|2,0,0]=4 1149 B12R1.438 COc1cccc(c1)CC(=O)O A10951 [0,2,0,0,0,0|0,0,0]=2 1150 B12R1.438 COc1cccc(c1)CC(=S)N H31615 [0,2,0,0,0,0|1,1,0]=4 1151 B12R1.438 CSc1cccc(c1)CC(=O)O H27452 [0,2,0,0,0,0|0,0,0]=2 1152 B10R1.66 c1cc(oc1)CCC(=O)O H27273 [0,0,1,1,0,0|1,0,1]=4 1153 B10R1.66 c1cc(oc1)\C=C\C(=O)O B21653 [0,0,1,1,0,0|1,0,1]=4 1154 B10R1.66 c1cc(sc1)\C=C\C(=O)O A10342 [0,0,1,1,0,0|1,0,1]=4 1155 B10R1.66 c1cocc1\C=C\C(=O)O L13143 [0,0,1,1,0,0|1,0,1]=4 1156 B10R1.66 c1cscc1\C=C\C(=O)O B25017 [0,0,1,1,0,0|1,0,1]=4 1157 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|0,0,1]=3 1158 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|0,0,1]=3 1159 B10R2.7 B1Oc2ccccc2O1 H30234 [1,0,0,1,0,0|2,0,0]=4 1160 B10R2.7 B1Oc2ccccc2O1 L14998 [1,0,0,1,0,0|2,0,0]=4 1161 B10R2.7 c1cc2c(cco2)nc1 H32966 [1,0,0,1,0,0|1,0,1]=4 1162 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|1,0,0]=3 1163 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|1,0,0]=3 1164 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,1,0,0|1,0,1]=4 1165 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,1,0,0|1,0,1]=4 1166 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|0,0,1]=3 1167 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|2,0,0]=4 1168 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|2,0,0]=4 1169 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|2,0,0]=4 1170 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|1,0,1]=4 1171 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,1,0,0|2,0,0]=4 1172 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|1,0,1]=4 1173 B10R2.7 c1ccc2c(c1)cco2 A15225 [1,0,0,1,0,0|0,0,1]=3 1174 B10R2.7 c1ccc2c(c1)ccs2 A12328 [1,0,0,1,0,0|0,1,1]=4 1175 B10R2.7 c1ccc2c(c1)cno2 B23400 [1,0,0,1,0,0|1,0,1]=4 1176 B10R2.7 c1ccc2c(c1)nco2 A17489 [1,0,0,1,0,0|1,0,0]=3 1177 B10R2.7 c1ccc2c(c1)ncs2 A10380 [1,0,0,1,0,0|1,1,0]=4 1178 B10R2.7 c1ccc2c(c1)sc[s+]2 H55403 [1,0,0,1,0,0|1,1,0]=4 1179 B12R2.24 CC1CNc2ccccc2O1 H61002 [0,0,0,1,0,1|1,0,1]=4 1180 B12R2.24 c1cc2c(nc1)NC(=O)CO2 L08473 [0,0,0,1,0,1|2,0,0]=4 1181 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,0,1|1,0,0]=3 1182 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,1,0,1|1,0,0]=3 1183 B12R2.24 c1ccc2c(c1)CCC(=O)O2 B21229 [0,0,0,1,0,1|0,0,0]=2 1184 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,0,0,1,0,1|1,0,0]=3 1185 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,0,1,0,1|1,0,0]=3 1186 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [0,0,0,1,0,1|1,0,0]=3 1187 B12R2.24 c1ccc2c(c1)ccc(=O)o2 A15336 [0,0,0,1,0,1|0,0,1]=3 1188 B12R2.24 c1ccc2c(c1)ccc(n2)O B23064 [0,0,0,1,0,1|1,0,1]=4 1189 B12R2.24 c1ccc2cc(ccc2c1)O A14564 [0,0,0,1,0,1|1,0,1]=4 1190 B12R2.24 c1ccc2cnc(cc2c1)O L19428 [0,0,0,1,0,1|1,0,1]=4 1191 B12R2.2057 c1ccc(cc1)OCC2CO2 B21768 [0,0,0,1,0,1|1,0,1]=4 1192 B12R2.606 Cc1ccc2c(c1)[nH]c(=S)o2 B20515 [0,1,0,1,0,0|1,1,0]=4 1193 B12R2.606 Cc1ccc2c(c1)nc(o2)C B21780 [0,1,0,1,0,0|2,0,0]=4 1194 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 H50573 [0,1,0,1,0,0|1,0,0]=3 1195 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 H56012 [0,1,0,1,0,0|1,0,0]=3 1196 B12R2.606 c1cc2c(cc1Br)nc(o2)S H32237 [0,1,0,1,0,0|1,1,0]=4 1197 B12R2.606 c1cc2c(cc1Br)oc(=O)[nH]2 H33984 [0,1,0,1,0,0|1,0,0]=3 1198 B12R2.606 c1cc2c(cc1Br)sc(=O)[nH]2 H60385 [0,1,0,1,0,0|1,1,0]=4 1199 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 A19210 [0,1,0,1,0,0|1,0,0]=3 1200 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 A19674 [0,1,0,1,0,0|1,0,0]=3 1201 B12R2.606 c1cc2c(cc1Cl)[nH]c(=O)o2 B24507 [0,1,0,1,0,0|1,0,0]=3 1202 B12R2.606 c1cc2c(cc1Cl)nc(o2)S H32749 [0,1,0,1,0,0|1,1,0]=4 1203 B12R2.606 c1cc2c(cc1F)CC(=O)N2 H32176 [0,1,0,1,0,0|1,0,0]=3 1204 B12R2.606 c1cc2c(cc1F)nc(o2)S H31825 [0,1,0,1,0,0|1,1,0]=4 1205 B12R2.18 CC1c2ccccc2NC1=O H27662 [0,1,0,1,0,0|1,0,0]=3 1206 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 A12468 [0,1,0,1,0,0|1,0,1]=4 1207 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,1,0,1,0,0|1,0,1]=4 1208 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,1,0,1,0,0|1,0,1]=4 1209 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [0,1,0,1,0,0|1,0,1]=4 1210 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,1,0,1,0,0|2,0,0]=4 1211 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO H27711 [0,1,0,1,0,0|1,0,1]=4 1212 B12R2.32 c1ccc2c(c1)cc([nH]2)C=O H54638 [0,1,0,1,0,0|1,0,1]=4 1213 B12R2.32 c1ccc2c(c1)cc(o2)C=O L02456 [0,1,0,1,0,0|0,0,1]=3 1214 B12R2.32 c1ccc2c(c1)cc(s2)C=O L19345 [0,1,0,1,0,0|0,1,1]=4 1215 B12R2.32 c1ccc2c(c1)cc(s2)CO H27512 [0,1,0,1,0,0|0,1,1]=4 1216 B12R2.32 c1ccc2c(c1)nc(s2)C=O H26122 [0,1,0,1,0,0|1,1,0]=4 1217 B12R2.32 c1ccc2c(c1)nc(s2)CO H31631 [0,1,0,1,0,0|1,1,0]=4 1218 B12R2.202 Cc1cccc2c1CC(=O)N2 H66430 [0,1,0,1,0,0|1,0,0]=3 1219 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 H61511 [0,1,0,1,0,0|1,0,0]=3 1220 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 H52337 [0,1,0,1,0,0|1,0,0]=3 1221 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,0,1,0|1,0,1]=4 1222 B8R1.8 c1cscc1CCO L15138 [1,0,0,0,1,0|1,0,1]=4 1223 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,0,0,0,2,0|2,0,0]=4 1224 B8R1.7 CC(=O)c1cc[nH]c1 A12073 [0,0,0,0,2,0|2,0,0]=4 1225 B8R1.7 CC(=O)c1ccc[nH]1 A14593 [0,0,0,0,2,0|2,0,0]=4 1226 B8R1.7 CC(=O)c1ccco1 A14938 [0,0,0,0,2,0|2,0,0]=4 1227 B8R1.7 CC(=O)c1cccs1 A13062 [0,0,0,0,2,0|2,0,0]=4 1228 B8R1.7 CC(=O)c1ccoc1 H34071 [0,0,0,0,2,0|2,0,0]=4 1229 B8R1.7 CC(=O)c1ccsc1 A11078 [0,0,0,0,2,0|2,0,0]=4 1230 B8R1.7 c1c(cn[nH]1)C(=O)O H25783 [0,0,0,0,2,0|2,0,0]=4 1231 B8R1.7 c1c(nc[nH]1)C(=O)O H56862 [0,0,0,0,2,0|2,0,0]=4 1232 B8R1.7 c1c(ocn1)C(=O)O H30179 [0,0,0,0,2,0|2,0,0]=4 1233 B8R1.7 c1c[nH]cc1C(=O)O H55383 [0,0,0,0,2,0|1,0,0]=3 1234 B8R1.7 c1c[nH]nc1C(=O)O B25732 [0,0,0,0,2,0|2,0,0]=4 1235 B8R1.7 c1cc([nH]c1)C(=O)O L13756 [0,0,0,0,2,0|1,0,0]=3 1236 B8R1.7 c1cc(oc1)C(=O)Cl L06960 [0,0,0,0,2,0|2,0,0]=4 1237 B8R1.7 c1cc(oc1)C(=O)N B25075 [0,0,0,0,2,0|2,0,0]=4 1238 B8R1.7 c1cc(oc1)C(=O)O A11454 [0,0,0,0,2,0|1,0,0]=3 1239 B8R1.7 c1cc(sc1)C(=O)Cl A14641 [0,0,0,0,2,0|2,0,0]=4 1240 B8R1.7 c1cc(sc1)C(=O)N A15219 [0,0,0,0,2,0|2,0,0]=4 1241 B8R1.7 c1cc(sc1)C(=O)O A12514 [0,0,0,0,2,0|1,0,0]=3 1242 B8R1.7 c1cc(sc1)C(=O)[O-] H64950 [0,0,0,0,2,0|1,0,1]=4 1243 B8R1.7 c1cnoc1C(=O)O A13739 [0,0,0,0,2,0|2,0,0]=4 1244 B8R1.7 c1cocc1C(=O)O L11629 [0,0,0,0,2,0|1,0,0]=3 1245 B8R1.7 c1conc1C(=O)O H58438 [0,0,0,0,2,0|2,0,0]=4 1246 B8R1.7 c1csc(n1)C(=O)O H63620 [0,0,0,0,2,0|2,0,0]=4 1247 B8R1.7 c1cscc1C(=O)Cl H61428 [0,0,0,0,2,0|2,0,0]=4 1248 B8R1.7 c1cscc1C(=O)O A15712 [0,0,0,0,2,0|1,0,0]=3 1249 B12R1.252 CC(=O)CSCc1ccccc1 L03814 [0,0,0,0,0,2|1,0,0]=3 1250 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [0,0,0,0,0,2|1,0,0]=3 1251 B12R1.252 CC(CNCc1ccccc1)O H50329 [0,0,0,0,0,2|1,0,1]=4 1252 B12R1.252 C[C@@H](COCc1ccccc1)O H60523 [0,0,0,0,0,2|1,0,1]=4 1253 B12R1.252 c1ccc(cc1)CCCC(=O)Cl H50388 [0,0,0,0,0,2|1,0,0]=3 1254 B12R1.252 c1ccc(cc1)CCCC(=O)O A18115 [0,0,0,0,0,2|0,0,0]=2 1255 B12R1.252 c1ccc(cc1)CCNC(=S)N L10520 [0,0,0,0,0,2|1,1,0]=4 1256 B12R1.252 c1ccc(cc1)CNCC(=O)O L15200 [0,0,0,0,0,2|0,0,0]=2 1257 B12R1.252 c1ccc(cc1)CNCC(=O)O L15368 [0,0,0,0,0,2|0,0,0]=2 1258 B12R1.252 c1ccc(cc1)COCC(=O)Cl L14337 [0,0,0,0,0,2|1,0,0]=3 1259 B12R1.252 c1ccc(cc1)COCC(=O)O H54581 [0,0,0,0,0,2|0,0,0]=2 1260 B12R1.252 c1ccc(cc1)CSCC(=O)O A18698 [0,0,0,0,0,2|0,0,0]=2 1261 B12R1.252 c1ccc(cc1)OCCC(=O)O A17842 [0,0,0,0,0,2|0,0,0]=2