0 B10R1.18 CC(=C)Cc1ccccc1 B20370 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.18 CC(=O)C[n+]1ccccc1 A16015 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.18 CC(=O)C[n+]1ccccc1 B24490 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.18 CC(=O)Cc1ccncc1 L18667 [0,0,0,0,0,0|2,0,1]=3 4 B10R1.18 CC(=O)Nc1ccccc1 A14361 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.18 CC(=O)Oc1ccccc1 B22561 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.18 CC(=O)Oc1ccccc1 L19598 [0,0,0,0,0,0|2,0,1]=3 7 B10R1.18 CC(=O)Sc1ccccc1 H55175 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 CC(C)Cc1ccccn1 B22349 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.18 CC(C)Cc1cccnc1 B22080 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.18 CC(C)Cc1cnccn1 A10245 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.18 CC(C)Nc1ccccc1 L10646 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.18 CC(C)Sc1ccccc1 A17124 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.18 CN(C)Cc1ccccc1 A12191 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.18 C[SiH](C)Cc1ccccc1 L05334 [0,0,0,0,0,0|1,1,0]=2 15 B10R1.18 c1cc(cnc1)CC(=O)N B25692 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.18 c1cc(cnc1)CC(=O)O A15599 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.18 c1cc(cnc1)CC(=S)N H58040 [0,0,0,0,0,0|2,0,1]=3 18 B10R1.18 c1cc(cnc1)NC(=S)N L01284 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.18 c1ccc(cc1)CC(=O)Cl B24987 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.18 c1ccc(cc1)CC(=O)N H60626 [0,0,0,0,0,0|1,0,1]=2 21 B10R1.18 c1ccc(cc1)CC(=O)O A14881 [0,0,0,0,0,0|2,0,1]=3 22 B10R1.18 c1ccc(cc1)CC(=S)N H26514 [0,0,0,0,0,0|1,0,1]=2 23 B10R1.18 c1ccc(cc1)NC(=O)N L01306 [0,0,0,0,0,0|2,0,1]=3 24 B10R1.18 c1ccc(cc1)NC(=S)N L06690 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.18 c1ccc(cc1)OC(=O)Cl A12618 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.18 c1ccc(cc1)OC(=O)N L00944 [0,0,0,0,0,0|2,0,1]=3 27 B10R1.18 c1ccc(cc1)OC(=S)Cl L00838 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.18 c1ccnc(c1)CC(=O)N B24939 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.18 c1ccnc(c1)CC(=O)O L04870 [0,0,0,0,0,0|3,0,1]=4 30 B10R1.18 c1ccnc(c1)CC(=S)N H58993 [0,0,0,0,0,0|2,0,1]=3 31 B10R1.18 c1ccnc(c1)NC(=S)N L11465 [0,0,0,0,0,0|3,0,1]=4 32 B10R1.18 c1cnccc1CC(=O)N B24734 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.18 c1cnccc1CC(=O)O A14348 [0,0,0,0,0,0|3,0,1]=4 34 B10R1.18 c1cnccc1NC(=S)N L09925 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.8 C#CCc1ccccc1 H53500 [1,0,0,0,0,0|0,0,2]=3 36 B9R1.8 C=CCc1ccccc1 A12965 [1,0,0,0,0,0|0,0,2]=3 37 B9R1.8 CC#Cc1ccccc1 A14272 [1,0,0,0,0,0|0,0,2]=3 38 B9R1.8 CCCc1ccccc1 B21468 [1,0,0,0,0,0|0,0,0]=1 39 B9R1.8 CCNc1ccccc1 A15060 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.8 CCOc1ccccc1 A15501 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.8 CCOc1ccccn1 L05649 [1,0,0,0,0,0|2,0,0]=3 42 B9R1.8 CCOc1cnccn1 B25219 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.8 CCSc1ccccc1 A13987 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 CNCc1ccccc1 A13746 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 CNCc1cccnc1 H50262 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.8 COCc1ccccc1 B23490 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 C\N=C\c1ccccc1 B25161 [1,0,0,0,0,0|1,0,1]=3 48 B9R1.8 c1cc(cnc1)CC#N B24964 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.8 c1cc(cnc1)CCN L16311 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.8 c1cc[n+](cc1)CC#N A14327 [1,0,0,0,0,0|1,0,2]=4 51 B9R1.8 c1ccc(cc1)CC#N A10694 [1,0,0,0,0,0|0,0,2]=3 52 B9R1.8 c1ccc(cc1)CC=O A14263 [1,0,0,0,0,0|1,0,1]=3 53 B9R1.8 c1ccc(cc1)CCBr A12528 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.8 c1ccc(cc1)CCCl L04891 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 c1ccc(cc1)CCN A13402 [1,0,0,0,0,0|0,0,0]=1 56 B9R1.8 c1ccc(cc1)CCO A15241 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.8 c1ccc(cc1)CC[Zn+] H58154 [1,0,0,0,0,0|1,0,0]=2 58 B9R1.8 c1ccc(cc1)CNN H54916 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.8 c1ccc(cc1)CON A17393 [1,0,0,0,0,0|1,0,0]=2 60 B9R1.8 c1ccc(cc1)CON L13601 [1,0,0,0,0,0|1,0,0]=2 61 B9R1.8 c1ccc(cc1)N=C=O A12808 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 c1ccc(cc1)N=C=S A11596 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 c1ccc(cc1)N=S=O H59451 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.8 c1ccc(cc1)NC=O A12472 [1,0,0,0,0,0|2,0,1]=4 65 B9R1.8 c1ccc(cc1)OC=O L00289 [1,0,0,0,0,0|2,0,1]=4 66 B9R1.8 c1ccc(cc1)[Se]C#N L20194 [1,0,0,0,0,0|1,0,2]=4 67 B9R1.8 c1ccc(cc1)\C=C\Br A16986 [1,0,0,0,0,0|1,0,2]=4 68 B9R1.8 c1ccc(cc1)\C=N\O A12053 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.8 c1ccnc(c1)CC#N A13087 [1,0,0,0,0,0|1,0,2]=4 70 B9R1.8 c1ccnc(c1)CCN L05627 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.8 c1ccnc(c1)CCO B23579 [1,0,0,0,0,0|2,0,0]=3 72 B9R1.8 c1cnc(cn1)CCS A13045 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.8 c1cnccc1CC#N B25095 [1,0,0,0,0,0|1,0,2]=4 74 B9R1.8 c1cnccc1CC#N H64588 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.8 c1cnccc1CCN H27545 [1,0,0,0,0,0|1,0,0]=2 76 B9R1.8 c1cnccc1CCO L13780 [1,0,0,0,0,0|2,0,0]=3 77 B11R1.20 CC(=O)Cc1ccc(cc1)Br A19028 [0,1,0,0,0,0|1,0,1]=3 78 B11R1.20 CC(=O)Cc1ccc(cc1)F L11720 [0,1,0,0,0,0|1,0,1]=3 79 B11R1.20 CC(=O)Cc1ccc(cc1)O A18936 [0,1,0,0,0,0|1,0,1]=3 80 B11R1.20 CC(=O)Nc1ccc(cc1)Br L02924 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.20 CC(=O)Nc1ccc(cc1)Cl A11214 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.20 CC(=O)Nc1ccc(cc1)F A18974 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.20 CC(=O)Nc1ccc(cc1)N A13937 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.20 CC(=O)Nc1ccc(cc1)N B20740 [0,1,0,0,0,0|2,0,1]=4 85 B11R1.20 CC(=O)Nc1ccc(cc1)O A11240 [0,1,0,0,0,0|2,0,1]=4 86 B11R1.20 CC(=O)Nc1ccc(cc1)S B23932 [0,1,0,0,0,0|2,0,1]=4 87 B11R1.20 CC(=O)Oc1ccc(cc1)F B21356 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.20 CC(C)Cc1ccc(cc1)[Mg+] H54201 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.20 CC(C)Oc1ccc(cn1)Br H32564 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.20 CC(C)Oc1ccc(cn1)I H50140 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.20 CC(Cc1ccc(cc1)F)N H51016 [0,1,0,0,0,0|0,0,0]=1 92 B11R1.20 Cc1ccc(cc1)CC(=O)C B24728 [0,1,0,0,0,0|1,0,1]=3 93 B11R1.20 Cc1ccc(cc1)CC(=O)Cl H37997 [0,1,0,0,0,0|2,0,1]=4 94 B11R1.20 Cc1ccc(cc1)CC(=O)O A15129 [0,1,0,0,0,0|2,0,1]=4 95 B11R1.20 Cc1ccc(cc1)CC(=S)N H26278 [0,1,0,0,0,0|1,0,1]=3 96 B11R1.20 Cc1ccc(cc1)NC(=O)C A13721 [0,1,0,0,0,0|2,0,1]=4 97 B11R1.20 Cc1ccc(cc1)NC(=O)N A11150 [0,1,0,0,0,0|2,0,1]=4 98 B11R1.20 Cc1ccc(cc1)NC(=S)N A11098 [0,1,0,0,0,0|2,0,1]=4 99 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl A12530 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.20 c1cc(ccc1CC(=O)Cl)F L19235 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.20 c1cc(ccc1CC(=O)N)O A15266 [0,1,0,0,0,0|1,0,1]=3 102 B11R1.20 c1cc(ccc1CC(=O)O)Br A15325 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.20 c1cc(ccc1CC(=O)O)Cl A14974 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.20 c1cc(ccc1CC(=O)O)F A10646 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.20 c1cc(ccc1CC(=O)O)I L13345 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.20 c1cc(ccc1CC(=O)O)N A14675 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.20 c1cc(ccc1CC(=O)O)O A15018 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.20 c1cc(ccc1CC(=O)O)S H27658 [0,1,0,0,0,0|2,0,1]=4 109 B11R1.20 c1cc(ccc1CC(=S)N)Cl H26864 [0,1,0,0,0,0|1,0,1]=3 110 B11R1.20 c1cc(ccc1N)OC(F)F B20349 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.20 c1cc(ccc1NC(=O)N)Br L11074 [0,1,0,0,0,0|2,0,1]=4 112 B11R1.20 c1cc(ccc1NC(=O)N)Cl B25090 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.20 c1cc(ccc1NC(=O)N)F L01314 [0,1,0,0,0,0|2,0,1]=4 114 B11R1.20 c1cc(ccc1NC(=S)N)Br L11163 [0,1,0,0,0,0|2,0,1]=4 115 B11R1.20 c1cc(ccc1NC(=S)N)Cl A12651 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.20 c1cc(ccc1NC(=S)N)F L11159 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.20 c1cc(ccc1NC(=S)N)O L12537 [0,1,0,0,0,0|2,0,1]=4 118 B11R1.20 c1cc(ccc1OC(F)F)Br B20106 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.36 CC(=C)C(c1ccccc1)O B20936 [0,1,0,0,0,0|1,0,1]=3 120 B11R1.36 CC(C(=O)c1ccccc1)Br A10661 [0,1,0,0,0,0|1,0,1]=3 121 B11R1.36 CC(C)C(=O)c1ccccc1 B24628 [0,1,0,0,0,0|1,0,1]=3 122 B11R1.36 CC(C)C(c1ccccc1)O B20729 [0,1,0,0,0,0|1,0,0]=2 123 B11R1.36 CC(c1ccccc1)C(=O)O L00709 [0,1,0,0,0,0|2,0,1]=4 124 B11R1.36 CC(c1ccccc1)N(C)C A17989 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.36 CN(C)C(=O)c1ccccc1 A18766 [0,1,0,0,0,0|2,0,1]=4 126 B11R1.36 CN(c1ccccc1)C(=S)N B20824 [0,1,0,0,0,0|2,0,1]=4 127 B11R1.36 C[C@@H](c1ccccc1)C(=O)O L08802 [0,1,0,0,0,0|2,0,1]=4 128 B11R1.36 C[C@H](c1ccccc1)C(=O)O A17639 [0,1,0,0,0,0|2,0,1]=4 129 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl B23475 [0,1,0,0,0,0|2,0,1]=4 130 B11R1.36 c1ccc(cc1)C(=O)C(F)F H25750 [0,1,0,0,0,0|2,0,1]=4 131 B11R1.36 c1ccc(cc1)C(C(=O)N)O L04679 [0,1,0,0,0,0|1,0,1]=3 132 B11R1.36 c1ccc(cc1)C(C(=O)O)F L01745 [0,1,0,0,0,0|2,0,1]=4 133 B11R1.36 c1ccc(cc1)C(C(=O)O)N B21129 [0,1,0,0,0,0|2,0,1]=4 134 B11R1.36 c1ccc(cc1)C(C(=O)O)O A14223 [0,1,0,0,0,0|2,0,1]=4 135 B11R1.36 c1ccc(cc1)[C@@H](C(=O)Cl)N H56828 [0,1,0,0,0,0|2,0,1]=4 136 B11R1.36 c1ccc(cc1)[C@@H](C(=O)N)N H65751 [0,1,0,0,0,0|1,0,1]=3 137 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A15669 [0,1,0,0,0,0|2,0,1]=4 138 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N A19360 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O A15061 [0,1,0,0,0,0|2,0,1]=4 140 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O A14767 [0,1,0,0,0,0|2,0,1]=4 141 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O L19116 [0,1,0,0,0,0|2,0,1]=4 142 B11R1.40 CC(CN)Oc1ccccc1 H50720 [0,1,0,0,0,0|1,0,0]=2 143 B11R1.40 CCC(=O)Nc1ccccc1 H31832 [0,1,0,0,0,0|2,0,1]=4 144 B11R1.40 CCN(C)Cc1ccccc1 L08520 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.40 COC(=O)Cc1ccccc1 A15537 [0,1,0,0,0,0|1,0,1]=3 146 B11R1.40 COC(=O)Oc1ccccc1 B25232 [0,1,0,0,0,0|2,0,1]=4 147 B11R1.40 C\C(=C/c1ccccc1)\C=O A10429 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.40 c1ccc(cc1)CC(CO)N H63562 [0,1,0,0,0,0|0,0,0]=1 149 B11R1.40 c1ccc(cc1)C[C@@H](CO)N A11586 [0,1,0,0,0,0|0,0,0]=1 150 B11R1.40 c1ccc(cc1)C[C@H](CO)N L09697 [0,1,0,0,0,0|0,0,0]=1 151 B11R1.40 c1ccc(cc1)C\C(=N\O)\N H58835 [0,1,0,0,0,0|1,0,1]=3 152 B11R1.40 c1ccc(cc1)NC(=O)NN B25578 [0,1,0,0,0,0|2,0,1]=4 153 B11R1.40 c1ccc(cc1)NC(=S)NN A15349 [0,1,0,0,0,0|2,0,1]=4 154 B11R1.40 c1ccc(cc1)OC(=O)CBr H60464 [0,1,0,0,0,0|2,0,1]=4 155 B11R1.86 CC(=O)Cc1ccccc1Cl L09846 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.86 CC(=O)Cc1ccccc1F H61535 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.86 CC(=O)Nc1ccccc1Br L20132 [0,1,0,0,0,0|2,0,1]=4 158 B11R1.86 CC(=O)Nc1ccccc1Cl A14711 [0,1,0,0,0,0|2,0,1]=4 159 B11R1.86 CC(=O)Nc1ccccc1F A16927 [0,1,0,0,0,0|2,0,1]=4 160 B11R1.86 CC(=O)Nc1ccccc1N H27343 [0,1,0,0,0,0|2,0,1]=4 161 B11R1.86 CC(=O)Nc1ccccc1O B21264 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.86 CC(C)Oc1c(cccn1)Br H52360 [0,1,0,0,0,0|3,0,0]=4 163 B11R1.86 CC(C)Oc1c(cccn1)I H50083 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.86 CC(C)Oc1ccccc1Br B25688 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.86 CC(C)Oc1ccccc1O L07360 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.86 CC(Cc1ccccc1F)N H50999 [0,1,0,0,0,0|0,0,0]=1 167 B11R1.86 Cc1ccccc1CC(=O)Cl H37418 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.86 Cc1ccccc1CC(=O)O A15783 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.86 Cc1ccccc1CC(=S)N H33111 [0,1,0,0,0,0|1,0,1]=3 170 B11R1.86 Cc1ccccc1NC(=O)C A13235 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.86 Cc1ccccc1NC(=O)N B23086 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.86 Cc1ccccc1NC(=S)N B22350 [0,1,0,0,0,0|2,0,1]=4 173 B11R1.86 c1ccc(c(c1)CC(=O)O)Br A16900 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl A15834 [0,1,0,0,0,0|2,0,1]=4 175 B11R1.86 c1ccc(c(c1)CC(=O)O)F A10596 [0,1,0,0,0,0|2,0,1]=4 176 B11R1.86 c1ccc(c(c1)CC(=O)O)I L15116 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.86 c1ccc(c(c1)CC(=O)O)O A13924 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl H26685 [0,1,0,0,0,0|1,0,1]=3 179 B11R1.86 c1ccc(c(c1)N)OC(F)F B20255 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.86 c1ccc(c(c1)NC(=O)N)F L01247 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.86 c1ccc(c(c1)NC(=S)N)Br L10098 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl L05711 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.86 c1ccc(c(c1)NC(=S)N)F B20883 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.86 c1ccc(c(c1)NC(=S)N)O L10519 [0,1,0,0,0,0|2,0,1]=4 185 B11R1.86 c1ccc(c(c1)OC(F)F)Br B23174 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.157 CC(=O)Cc1cccc(c1)F B22061 [0,1,0,0,0,0|1,0,1]=3 187 B11R1.157 CC(=O)Nc1cccc(c1)Cl A14921 [0,1,0,0,0,0|2,0,1]=4 188 B11R1.157 CC(=O)Nc1cccc(c1)F B22889 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.157 CC(=O)Nc1cccc(c1)N H60629 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.157 CC(=O)Nc1cccc(c1)O A12764 [0,1,0,0,0,0|2,0,1]=4 191 B11R1.157 CC(=O)Oc1cccc(c1)F L13465 [0,1,0,0,0,0|2,0,1]=4 192 B11R1.157 CC(C)Oc1cccc(c1)Br L13802 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.157 Cc1cccc(c1)CC(=O)Cl H37453 [0,1,0,0,0,0|2,0,1]=4 194 B11R1.157 Cc1cccc(c1)CC(=O)O A17743 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.157 Cc1cccc(c1)CC(=S)N H33031 [0,1,0,0,0,0|1,0,1]=3 196 B11R1.157 Cc1cccc(c1)NC(=O)N B20749 [0,1,0,0,0,0|2,0,1]=4 197 B11R1.157 Cc1cccc(c1)OC(=O)C L14602 [0,1,0,0,0,0|2,0,1]=4 198 B11R1.157 c1cc(cc(c1)Br)CC(=O)O B20758 [0,1,0,0,0,0|2,0,1]=4 199 B11R1.157 c1cc(cc(c1)Br)NC(=O)N L11370 [0,1,0,0,0,0|2,0,1]=4 200 B11R1.157 c1cc(cc(c1)Br)OC(F)F B23977 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O A11210 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.157 c1cc(cc(c1)Cl)CC(=S)N H32426 [0,1,0,0,0,0|1,0,1]=3 203 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N L07123 [0,1,0,0,0,0|2,0,1]=4 204 B11R1.157 c1cc(cc(c1)F)CC(=O)O A15635 [0,1,0,0,0,0|2,0,1]=4 205 B11R1.157 c1cc(cc(c1)F)NC(=S)N L09538 [0,1,0,0,0,0|2,0,1]=4 206 B11R1.157 c1cc(cc(c1)I)CC(=O)O L15117 [0,1,0,0,0,0|2,0,1]=4 207 B11R1.157 c1cc(cc(c1)O)CC(=O)O B23563 [0,1,0,0,0,0|2,0,1]=4 208 B11R1.157 c1cc(cc(c1)O)NC(=S)N L09975 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.157 c1cc(cc(c1)OC(F)F)N H53468 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.509 CC(C)(C)Cc1ccccc1 A12941 [0,1,0,0,0,0|1,0,0]=2 211 B11R1.509 CC(C)(C)Oc1ccccc1 H27689 [0,1,0,0,0,0|2,0,0]=3 212 B11R1.509 CC(C)(Cc1ccccc1)O L03679 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.509 CS(=O)(=O)Cc1ccccc1 L04233 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.509 CS(=O)(=O)Oc1ccccc1 H55995 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.509 C[N+](C)(C)Cc1ccccc1 41717 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.509 C[N+](C)(C)Cc1ccccc1 43474 [0,1,0,0,0,0|2,0,0]=3 217 B11R1.509 C[N+](C)(C)Cc1ccccc1 47189 [0,1,0,0,0,0|2,0,0]=3 218 B11R1.509 C[N+](C)(C)Cc1ccccc1 A14927 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.509 C[N+](C)(C)Cc1ccccc1 A16759 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.509 C[N+](C)(C)Cc1ccccc1 A16840 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.509 C[N+](C)(C)Cc1ccccc1 B20812 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.509 C[N+](C)(C)Cc1ccccc1 B22892 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.509 C[N+](C)(C)Cc1ccccc1 B23520 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.509 C[N+](C)(C)Cc1ccccc1 B24470 [0,1,0,0,0,0|2,0,0]=3 225 B11R1.509 C[Si](C)(C)Cc1ccccc1 A13191 [0,1,0,0,0,0|1,1,0]=3 226 B11R1.509 C[Si](C)(C)Sc1ccccc1 L06319 [0,1,0,0,0,0|2,1,0]=4 227 B11R1.509 c1ccc(cc1)CP(=O)(O)O A13850 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl A10124 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.509 c1ccc(cc1)CS(=O)(=O)F B22146 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.509 c1ccc(cc1)CS(=O)(=O)N A16740 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.509 c1ccc(cc1)OC(F)(F)F B25658 [0,1,0,0,0,0|3,0,0]=4 232 B11R1.509 c1ccc(cc1)OP(=O)(N)N A13562 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.509 c1ccc(cc1)SC(F)(F)F L10114 [0,1,0,0,0,0|3,0,0]=4 234 B11R2.10 CC1=Cc2ccccc2C1 H26875 [0,0,0,1,0,0|1,0,1]=3 235 B11R2.10 Cc1[nH]c2ccccc2n1 A17290 [0,0,0,1,0,0|1,0,1]=3 236 B11R2.10 Cc1[nH]c2ccncc2n1 L19131 [0,0,0,1,0,0|2,0,1]=4 237 B11R2.10 Cc1cc2ccccc2[nH]1 A10764 [0,0,0,1,0,0|0,0,2]=3 238 B11R2.10 Cc1cc2ccccc2s1 H32224 [0,0,0,1,0,0|1,0,2]=4 239 B11R2.10 Cc1nc2ccccc2o1 A13198 [0,0,0,1,0,0|1,0,2]=4 240 B11R2.10 Cc1nc2ccccc2s1 A13427 [0,0,0,1,0,0|1,0,2]=4 241 B11R2.10 c1ccc2c(c1)CC(=C2)Br B25474 [0,0,0,1,0,0|1,0,2]=4 242 B11R2.10 c1ccc2c(c1)CC(=O)C2 A12574 [0,0,0,1,0,0|1,0,1]=3 243 B11R2.10 c1ccc2c(c1)CC(=O)N2 A18764 [0,0,0,1,0,0|1,0,1]=3 244 B11R2.10 c1ccc2c(c1)CC(=O)O2 A18617 [0,0,0,1,0,0|2,0,1]=4 245 B11R2.10 c1ccc2c(c1)CC(C2)N H31023 [0,0,0,1,0,0|0,0,0]=1 246 B11R2.10 c1ccc2c(c1)CC(C2)N L14083 [0,0,0,1,0,0|0,0,0]=1 247 B11R2.10 c1ccc2c(c1)CC(C2)O L01766 [0,0,0,1,0,0|1,0,0]=2 248 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 A19378 [0,0,0,1,0,0|2,0,1]=4 249 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br H26183 [0,0,0,1,0,0|2,0,1]=4 250 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl A12193 [0,0,0,1,0,0|2,0,1]=4 251 B11R2.10 c1ccc2c(c1)[nH]c(n2)N L02066 [0,0,0,1,0,0|2,0,1]=4 252 B11R2.10 c1ccc2c(c1)[nH]c(n2)O A18324 [0,0,0,1,0,0|2,0,1]=4 253 B11R2.10 c1ccc2c(c1)[nH]c(n2)S A18350 [0,0,0,1,0,0|2,0,1]=4 254 B11R2.10 c1ccc2c(c1)nc(s2)N A13521 [0,0,0,1,0,0|2,0,1]=4 255 B11R2.238 c1ccc(cc1)SC2CC2 L12321 [0,0,0,1,0,0|2,0,0]=3 256 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|3,0,0]=4 258 B9R1.6 B(c1ccccc1)(O)O L19459 [0,0,0,0,1,0|3,0,0]=4 259 B9R1.6 CC(=C)c1ccccc1 L03609 [0,0,0,0,1,0|1,0,1]=3 260 B9R1.6 CC(=O)c1ccccc1 A12727 [0,0,0,0,1,0|1,0,1]=3 261 B9R1.6 CC(=O)c1ccccn1 A12688 [0,0,0,0,1,0|2,0,1]=4 262 B9R1.6 CC(=O)c1cccnc1 A14246 [0,0,0,0,1,0|2,0,1]=4 263 B9R1.6 CC(=O)c1ccncc1 A12015 [0,0,0,0,1,0|2,0,1]=4 264 B9R1.6 CC(C)c1ccccc1 A11864 [0,0,0,0,1,0|1,0,0]=2 265 B9R1.6 CC(C)c1cnccn1 A13891 [0,0,0,0,1,0|3,0,0]=4 266 B9R1.6 CC(c1ccccc1)Br A16839 [0,0,0,0,1,0|1,0,0]=2 267 B9R1.6 CC(c1ccccc1)N A15711 [0,0,0,0,1,0|0,0,0]=1 268 B9R1.6 CC(c1ccccc1)O A13837 [0,0,0,0,1,0|1,0,0]=2 269 B9R1.6 CC(c1ccccc1)S H26345 [0,0,0,0,1,0|1,0,0]=2 270 B9R1.6 CC(c1ccccc1)[Zn+] H58185 [0,0,0,0,1,0|1,0,0]=2 271 B9R1.6 CC(c1ccccn1)N H26046 [0,0,0,0,1,0|1,0,0]=2 272 B9R1.6 CC(c1cccnc1)N H26047 [0,0,0,0,1,0|1,0,0]=2 273 B9R1.6 CC(c1ccncc1)N H50303 [0,0,0,0,1,0|1,0,0]=2 274 B9R1.6 CC(c1ccncc1)O H58711 [0,0,0,0,1,0|2,0,0]=3 275 B9R1.6 CN(C)c1cc[nH+]cc1 H55010 [0,0,0,0,1,0|3,0,0]=4 276 B9R1.6 CN(C)c1ccccc1 A11916 [0,0,0,0,1,0|2,0,0]=3 277 B9R1.6 CN(C)c1ccccn1 L02513 [0,0,0,0,1,0|3,0,0]=4 278 B9R1.6 CN(C)c1ccncc1 A13016 [0,0,0,0,1,0|3,0,0]=4 279 B9R1.6 CN(C)c1ccncc1 H51715 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.6 CN(c1ccccc1)N B22440 [0,0,0,0,1,0|1,0,0]=2 281 B9R1.6 CP(C)c1ccccc1 A17975 [0,0,0,0,1,0|2,0,0]=3 282 B9R1.6 CS(=O)c1ccccc1 A15009 [0,0,0,0,1,0|2,0,0]=3 283 B9R1.6 C[C@@H](c1ccccc1)N A12632 [0,0,0,0,1,0|0,0,0]=1 284 B9R1.6 C[C@@H](c1ccccc1)N L19118 [0,0,0,0,1,0|0,0,0]=1 285 B9R1.6 C[C@@H](c1ccccc1)O B21188 [0,0,0,0,1,0|1,0,0]=2 286 B9R1.6 C[C@H](c1ccccc1)N A10967 [0,0,0,0,1,0|0,0,0]=1 287 B9R1.6 C[C@H](c1ccccc1)N L19117 [0,0,0,0,1,0|0,0,0]=1 288 B9R1.6 C[C@H](c1ccccc1)O L19296 [0,0,0,0,1,0|1,0,0]=2 289 B9R1.6 C[C@H](c1ccncc1)O H51033 [0,0,0,0,1,0|2,0,0]=3 290 B9R1.6 C[SiH](C)c1ccccc1 L04558 [0,0,0,0,1,0|1,1,0]=3 291 B9R1.6 [2H]C(=O)c1ccccc1 H51103 [0,0,0,0,1,0|2,0,1]=4 292 B9R1.6 c1cc(cnc1)C(=N)N B20406 [0,0,0,0,1,0|2,0,1]=4 293 B9R1.6 c1cc(cnc1)C(=O)N A15970 [0,0,0,0,1,0|2,0,1]=4 294 B9R1.6 c1cc(cnc1)C(=S)N A11144 [0,0,0,0,1,0|2,0,1]=4 295 B9R1.6 c1cc(cnc1)C(F)F H33189 [0,0,0,0,1,0|3,0,0]=4 296 B9R1.6 c1ccc(cc1)C(=N)N A16002 [0,0,0,0,1,0|1,0,1]=3 297 B9R1.6 c1ccc(cc1)C(=O)Cl A14107 [0,0,0,0,1,0|2,0,1]=4 298 B9R1.6 c1ccc(cc1)C(=O)Cl L19460 [0,0,0,0,1,0|2,0,1]=4 299 B9R1.6 c1ccc(cc1)C(=O)F L11464 [0,0,0,0,1,0|2,0,1]=4 300 B9R1.6 c1ccc(cc1)C(=O)N A10501 [0,0,0,0,1,0|1,0,1]=3 301 B9R1.6 c1ccc(cc1)C(=O)O 36230 [0,0,0,0,1,0|2,0,1]=4 302 B9R1.6 c1ccc(cc1)C(=O)O A14062 [0,0,0,0,1,0|2,0,1]=4 303 B9R1.6 c1ccc(cc1)C(=O)O H25864 [0,0,0,0,1,0|2,0,1]=4 304 B9R1.6 c1ccc(cc1)C(=O)O L19473 [0,0,0,0,1,0|2,0,1]=4 305 B9R1.6 c1ccc(cc1)C(=O)[O-] 11896 [0,0,0,0,1,0|2,0,1]=4 306 B9R1.6 c1ccc(cc1)C(=O)[O-] 30753 [0,0,0,0,1,0|2,0,1]=4 307 B9R1.6 c1ccc(cc1)C(=O)[O-] 87380 [0,0,0,0,1,0|2,0,1]=4 308 B9R1.6 c1ccc(cc1)C(=O)[O-] A11610 [0,0,0,0,1,0|2,0,1]=4 309 B9R1.6 c1ccc(cc1)C(=O)[O-] A12358 [0,0,0,0,1,0|2,0,1]=4 310 B9R1.6 c1ccc(cc1)C(=O)[O-] A15946 [0,0,0,0,1,0|2,0,1]=4 311 B9R1.6 c1ccc(cc1)C(=O)[O-] A16571 [0,0,0,0,1,0|2,0,1]=4 312 B9R1.6 c1ccc(cc1)C(=S)N A12973 [0,0,0,0,1,0|1,0,1]=3 313 B9R1.6 c1ccc(cc1)C(=S)O B24458 [0,0,0,0,1,0|2,0,1]=4 314 B9R1.6 c1ccc(cc1)C(=S)[O-] H61741 [0,0,0,0,1,0|2,0,1]=4 315 B9R1.6 c1ccc(cc1)P(=O)O A17453 [0,0,0,0,1,0|3,0,0]=4 316 B9R1.6 c1ccc(cc1)P(Cl)Cl A10284 [0,0,0,0,1,0|3,0,0]=4 317 B9R1.6 c1ccc(cc1)S(=O)[O-] A12118 [0,0,0,0,1,0|3,0,0]=4 318 B9R1.6 c1ccc(cc1)S(=O)[O-] A16614 [0,0,0,0,1,0|3,0,0]=4 319 B9R1.6 c1ccc(cc1)S(=O)[O-] B25576 [0,0,0,0,1,0|3,0,0]=4 320 B9R1.6 c1ccc(cc1)[N+](=O)[O-] A10585 [0,0,0,0,1,0|3,0,0]=4 321 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl L04371 [0,0,0,0,1,0|2,1,0]=4 322 B9R1.6 c1ccnc(c1)C(=N)N A10942 [0,0,0,0,1,0|2,0,1]=4 323 B9R1.6 c1ccnc(c1)C(=O)N A15410 [0,0,0,0,1,0|2,0,1]=4 324 B9R1.6 c1ccnc(c1)C(=S)N H51710 [0,0,0,0,1,0|2,0,1]=4 325 B9R1.6 c1ccnc(c1)C(F)F H33258 [0,0,0,0,1,0|3,0,0]=4 326 B9R1.6 c1cnccc1C(=N)N A11050 [0,0,0,0,1,0|2,0,1]=4 327 B9R1.6 c1cnccc1C(=O)N A18190 [0,0,0,0,1,0|2,0,1]=4 328 B9R1.6 c1cnccc1C(=S)N B25265 [0,0,0,0,1,0|2,0,1]=4 329 B9R1.6 c1cnccc1C(F)F H34075 [0,0,0,0,1,0|3,0,0]=4 330 B9R1.13 CC(=O)Cc1ccco1 B22171 [0,0,0,0,1,0|2,0,1]=4 331 B9R1.13 CC(C)Cc1nccs1 A13759 [0,0,0,0,1,0|3,0,0]=4 332 B9R1.13 CN(C)CC1=CC=CC1 L07915 [0,0,0,0,1,0|2,0,1]=4 333 B9R1.13 c1cc(sc1)CC(=O)N L19221 [0,0,0,0,1,0|2,0,1]=4 334 B9R1.13 c1cc(sc1)CC(=S)N H58178 [0,0,0,0,1,0|2,0,1]=4 335 B11R1.91 B(CCc1ccccc1)(O)O H52502 [0,0,0,0,0,1|3,0,0]=4 336 B11R1.91 CC(=C)COc1ccccc1 B22369 [0,0,0,0,0,1|1,0,1]=3 337 B11R1.91 CC(=N)SCc1ccccc1 H51844 [0,0,0,0,0,1|0,0,2]=3 338 B11R1.91 CC(=O)C#Cc1ccccc1 H27826 [0,0,0,0,0,1|1,0,2]=4 339 B11R1.91 CC(=O)CCc1ccccc1 B22777 [0,0,0,0,0,1|1,0,1]=3 340 B11R1.91 CC(=O)NCc1cccnc1 B21862 [0,0,0,0,0,1|2,0,1]=4 341 B11R1.91 CC(=O)NNc1ccccc1 A14446 [0,0,0,0,0,1|2,0,1]=4 342 B11R1.91 CC(=O)OCc1ccccc1 B23472 [0,0,0,0,0,1|1,0,1]=3 343 B11R1.91 CC(=O)\C=C\c1ccccc1 A13537 [0,0,0,0,0,1|1,0,2]=4 344 B11R1.91 CC(C#Cc1ccccc1)O H53450 [0,0,0,0,0,1|1,0,1]=3 345 B11R1.91 CC(C)NCc1ccccc1 B23243 [0,0,0,0,0,1|1,0,0]=2 346 B11R1.91 CC(CCc1ccccc1)N A18804 [0,0,0,0,0,1|0,0,0]=1 347 B11R1.91 CC(CCc1ccccc1)O L05970 [0,0,0,0,0,1|1,0,0]=2 348 B11R1.91 CC(COc1ccccc1)O L04596 [0,0,0,0,0,1|1,0,0]=2 349 B11R1.91 C[C@@H](CCc1ccccc1)O L18886 [0,0,0,0,0,1|1,0,0]=2 350 B11R1.91 C[C@H](CCc1ccccc1)O L18885 [0,0,0,0,0,1|1,0,0]=2 351 B11R1.91 c1ccc(cc1)CCC(=O)Cl A10860 [0,0,0,0,0,1|2,0,1]=4 352 B11R1.91 c1ccc(cc1)CCC(=O)O A14908 [0,0,0,0,0,1|2,0,1]=4 353 B11R1.91 c1ccc(cc1)CNC(=O)N B24945 [0,0,0,0,0,1|1,0,1]=3 354 B11R1.91 c1ccc(cc1)CNC(=S)N L09400 [0,0,0,0,0,1|1,0,1]=3 355 B11R1.91 c1ccc(cc1)COC(=O)Cl A15682 [0,0,0,0,0,1|2,0,1]=4 356 B11R1.91 c1ccc(cc1)COC(=O)N A11569 [0,0,0,0,0,1|1,0,1]=3 357 B11R1.91 c1ccc(cc1)CSC(=[NH2+])N A15914 [0,0,0,0,0,1|1,0,1]=3 358 B11R1.91 c1ccc(cc1)NCC(=O)O A14182 [0,0,0,0,0,1|2,0,1]=4 359 B11R1.91 c1ccc(cc1)NNC(=O)N B22331 [0,0,0,0,0,1|2,0,1]=4 360 B11R1.91 c1ccc(cc1)OCC(=O)Cl A13761 [0,0,0,0,0,1|2,0,1]=4 361 B11R1.91 c1ccc(cc1)OCC(=O)N A14934 [0,0,0,0,0,1|1,0,1]=3 362 B11R1.91 c1ccc(cc1)OCC(=O)O A12541 [0,0,0,0,0,1|2,0,1]=4 363 B11R1.91 c1ccc(cc1)OCC(=S)N H26478 [0,0,0,0,0,1|1,0,1]=3 364 B11R1.91 c1ccc(cc1)SCC(=O)O B22280 [0,0,0,0,0,1|2,0,1]=4 365 B11R1.91 c1ccc(cc1)\C=C\C(=O)N A13429 [0,0,0,0,0,1|1,0,2]=4 366 B8R0.4 CCC\C=C\C=C\CO A16820 [1,0,1,0,0,0|1,0,1]=4 367 B8R1.2 C#Cc1ccccc1 A12139 [2,0,0,0,0,0|0,0,2]=4 368 B8R1.2 C=Cc1ccccc1 16199 [2,0,0,0,0,0|0,0,2]=4 369 B8R1.2 C=Cc1ccccc1 A18481 [2,0,0,0,0,0|0,0,2]=4 370 B8R1.2 CC[n+]1ccccc1 A17911 [2,0,0,0,0,0|1,0,0]=3 371 B8R1.2 CCc1ccccc1 L05908 [2,0,0,0,0,0|0,0,0]=2 372 B8R1.2 CCc1ccccn1 A17352 [2,0,0,0,0,0|1,0,0]=3 373 B8R1.2 CCc1cccnc1 B20318 [2,0,0,0,0,0|1,0,0]=3 374 B8R1.2 CCc1ccncc1 A12883 [2,0,0,0,0,0|1,0,0]=3 375 B8R1.2 CCc1cnccn1 A12759 [2,0,0,0,0,0|2,0,0]=4 376 B8R1.2 CNc1ccccc1 L13873 [2,0,0,0,0,0|1,0,0]=3 377 B8R1.2 CNc1ccccn1 B23589 [2,0,0,0,0,0|2,0,0]=4 378 B8R1.2 CNc1cccnc1 H63602 [2,0,0,0,0,0|2,0,0]=4 379 B8R1.2 CNc1ccncc1 L19626 [2,0,0,0,0,0|2,0,0]=4 380 B8R1.2 COc1ccccc1 A12997 [2,0,0,0,0,0|1,0,0]=3 381 B8R1.2 COc1ccccn1 A13675 [2,0,0,0,0,0|2,0,0]=4 382 B8R1.2 COc1ccncc1 L19625 [2,0,0,0,0,0|2,0,0]=4 383 B8R1.2 CSc1ccccc1 A14846 [2,0,0,0,0,0|1,0,0]=3 384 B8R1.2 C[NH2+]c1ccccc1 A17781 [2,0,0,0,0,0|1,0,0]=3 385 B8R1.2 [2H]Oc1ccccc1 H51100 [2,0,0,0,0,0|2,0,0]=4 386 B8R1.2 [C-]#Cc1ccccc1 17538 [2,0,0,0,0,0|0,0,2]=4 387 B8R1.2 c1cc(cnc1)CCl A13279 [2,0,0,0,0,0|2,0,0]=4 388 B8R1.2 c1cc(cnc1)CN B23634 [2,0,0,0,0,0|1,0,0]=3 389 B8R1.2 c1cc(cnc1)CO A10381 [2,0,0,0,0,0|2,0,0]=4 390 B8R1.2 c1ccc(cc1)C#N 10004 [2,0,0,0,0,0|0,0,2]=4 391 B8R1.2 c1ccc(cc1)C#N 10006 [2,0,0,0,0,0|0,0,2]=4 392 B8R1.2 c1ccc(cc1)C#N A11173 [2,0,0,0,0,0|0,0,2]=4 393 B8R1.2 c1ccc(cc1)C=O 30749 [2,0,0,0,0,0|1,0,1]=4 394 B8R1.2 c1ccc(cc1)C=O A10348 [2,0,0,0,0,0|1,0,1]=4 395 B8R1.2 c1ccc(cc1)C=O L19475 [2,0,0,0,0,0|1,0,1]=4 396 B8R1.2 c1ccc(cc1)CBr A13535 [2,0,0,0,0,0|1,0,0]=3 397 B8R1.2 c1ccc(cc1)CCl A12481 [2,0,0,0,0,0|1,0,0]=3 398 B8R1.2 c1ccc(cc1)CN A10997 [2,0,0,0,0,0|0,0,0]=2 399 B8R1.2 c1ccc(cc1)CN L04102 [2,0,0,0,0,0|0,0,0]=2 400 B8R1.2 c1ccc(cc1)CN L19471 [2,0,0,0,0,0|0,0,0]=2 401 B8R1.2 c1ccc(cc1)CO 41218 [2,0,0,0,0,0|1,0,0]=3 402 B8R1.2 c1ccc(cc1)CO L03292 [2,0,0,0,0,0|1,0,0]=3 403 B8R1.2 c1ccc(cc1)CO L19592 [2,0,0,0,0,0|1,0,0]=3 404 B8R1.2 c1ccc(cc1)CS 44466 [2,0,0,0,0,0|1,0,0]=3 405 B8R1.2 c1ccc(cc1)CS B20081 [2,0,0,0,0,0|1,0,0]=3 406 B8R1.2 c1ccc(cc1)C[Mg+] 87299 [2,0,0,0,0,0|1,0,0]=3 407 B8R1.2 c1ccc(cc1)C[Mg+] H51154 [2,0,0,0,0,0|1,0,0]=3 408 B8R1.2 c1ccc(cc1)C[Zn+] H58014 [2,0,0,0,0,0|1,0,0]=3 409 B8R1.2 c1ccc(cc1)I=O B24531 [2,0,0,0,0,0|2,0,0]=4 410 B8R1.2 c1ccc(cc1)NN A11246 [2,0,0,0,0,0|1,0,0]=3 411 B8R1.2 c1ccc(cc1)NN A14645 [2,0,0,0,0,0|1,0,0]=3 412 B8R1.2 c1ccc(cc1)[As]=O A14674 [2,0,0,0,0,0|2,0,0]=4 413 B8R1.2 c1ccc(cc1)[Se]Br A11906 [2,0,0,0,0,0|2,0,0]=4 414 B8R1.2 c1ccc(cc1)[Se]Cl A12751 [2,0,0,0,0,0|2,0,0]=4 415 B8R1.2 c1ccnc(c1)CCl A10226 [2,0,0,0,0,0|2,0,0]=4 416 B8R1.2 c1ccnc(c1)CN B23208 [2,0,0,0,0,0|1,0,0]=3 417 B8R1.2 c1ccnc(c1)CO A15005 [2,0,0,0,0,0|2,0,0]=4 418 B8R1.2 c1cnccc1CCl A12859 [2,0,0,0,0,0|2,0,0]=4 419 B8R1.2 c1cnccc1CN L06345 [2,0,0,0,0,0|1,0,0]=3 420 B8R1.2 c1cnccc1CO A14698 [2,0,0,0,0,0|2,0,0]=4 421 B8R1.2 c1cncnc1CN H32582 [2,0,0,0,0,0|2,0,0]=4 422 B10R1.1 CCCc1ccc(cc1)Br H26236 [1,1,0,0,0,0|0,0,0]=2 423 B10R1.1 CCCc1ccc(cc1)I L05767 [1,1,0,0,0,0|0,0,0]=2 424 B10R1.1 CCCc1ccc(cc1)N L03880 [1,1,0,0,0,0|0,0,0]=2 425 B10R1.1 CCCc1ccc(cc1)O A15342 [1,1,0,0,0,0|0,0,0]=2 426 B10R1.1 CCCc1ccc(cc1)[Mg+] H54423 [1,1,0,0,0,0|0,0,0]=2 427 B10R1.1 CCCc1cnc(nc1)Cl H27409 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.1 CCCc1cnc(nc1)S H27239 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.1 CCOc1ccc(cc1)Br B21398 [1,1,0,0,0,0|1,0,0]=3 430 B10R1.1 CCOc1ccc(cc1)I B21644 [1,1,0,0,0,0|1,0,0]=3 431 B10R1.1 CCOc1ccc(cc1)N A10416 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.1 CCOc1ccc(cc1)O B20584 [1,1,0,0,0,0|1,0,0]=3 433 B10R1.1 CCOc1ccc(cn1)Br H27197 [1,1,0,0,0,0|2,0,0]=4 434 B10R1.1 CCOc1ccc(cn1)I H50156 [1,1,0,0,0,0|2,0,0]=4 435 B10R1.1 CCSc1ccc(cc1)Br L13718 [1,1,0,0,0,0|1,0,0]=3 436 B10R1.1 CNCc1ccc(cc1)Br H54506 [1,1,0,0,0,0|1,0,0]=3 437 B10R1.1 CNCc1ccc(cc1)Cl H63294 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.1 CNCc1ccc(cc1)F H54369 [1,1,0,0,0,0|1,0,0]=3 439 B10R1.1 Cc1ccc(cc1)CC#N A12169 [1,1,0,0,0,0|0,0,2]=4 440 B10R1.1 Cc1ccc(cc1)CCO B20918 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.1 c1cc(ccc1CC#N)Br A10887 [1,1,0,0,0,0|0,0,2]=4 442 B10R1.1 c1cc(ccc1CC#N)Cl A15295 [1,1,0,0,0,0|0,0,2]=4 443 B10R1.1 c1cc(ccc1CC#N)F A14290 [1,1,0,0,0,0|0,0,2]=4 444 B10R1.1 c1cc(ccc1CC#N)I L15119 [1,1,0,0,0,0|0,0,2]=4 445 B10R1.1 c1cc(ccc1CC#N)N A11304 [1,1,0,0,0,0|0,0,2]=4 446 B10R1.1 c1cc(ccc1CC#N)O A10971 [1,1,0,0,0,0|0,0,2]=4 447 B10R1.1 c1cc(ccc1CCCl)F L16719 [1,1,0,0,0,0|1,0,0]=3 448 B10R1.1 c1cc(ccc1CCN)Br H63706 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.1 c1cc(ccc1CCN)Cl H63081 [1,1,0,0,0,0|0,0,0]=2 450 B10R1.1 c1cc(ccc1CCN)F H61791 [1,1,0,0,0,0|0,0,0]=2 451 B10R1.1 c1cc(ccc1CCN)N L15782 [1,1,0,0,0,0|0,0,0]=2 452 B10R1.1 c1cc(ccc1CCN)O A12220 [1,1,0,0,0,0|0,0,0]=2 453 B10R1.1 c1cc(ccc1CCO)Br A14143 [1,1,0,0,0,0|1,0,0]=3 454 B10R1.1 c1cc(ccc1CCO)F L05618 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.1 c1cc(ccc1CCO)N L15223 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.1 c1cc(ccc1CCO)O A14891 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.4 C=CCc1ccccc1O A10755 [1,1,0,0,0,0|0,0,2]=4 458 B10R1.4 CCCc1c(nccn1)C B22013 [1,1,0,0,0,0|2,0,0]=4 459 B10R1.4 CCCc1ccccc1O A11088 [1,1,0,0,0,0|0,0,0]=2 460 B10R1.4 CCNc1ccccc1C A11315 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.4 CCOc1c(cccn1)Br H27690 [1,1,0,0,0,0|2,0,0]=4 462 B10R1.4 CCOc1c(cccn1)I H50100 [1,1,0,0,0,0|2,0,0]=4 463 B10R1.4 CCOc1ccccc1O B24755 [1,1,0,0,0,0|1,0,0]=3 464 B10R1.4 CNCc1ccccc1Br H63390 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.4 CNCc1ccccc1Cl H54680 [1,1,0,0,0,0|1,0,0]=3 466 B10R1.4 CNCc1ccccc1F H54439 [1,1,0,0,0,0|1,0,0]=3 467 B10R1.4 Cc1ccccc1CC#N A14787 [1,1,0,0,0,0|0,0,2]=4 468 B10R1.4 Cc1ccccc1CCN H28320 [1,1,0,0,0,0|0,0,0]=2 469 B10R1.4 Cc1ccccc1CNC H63956 [1,1,0,0,0,0|1,0,0]=3 470 B10R1.4 c1ccc(c(c1)CC#N)Br A17548 [1,1,0,0,0,0|0,0,2]=4 471 B10R1.4 c1ccc(c(c1)CC#N)Cl A13176 [1,1,0,0,0,0|0,0,2]=4 472 B10R1.4 c1ccc(c(c1)CC#N)F A11612 [1,1,0,0,0,0|0,0,2]=4 473 B10R1.4 c1ccc(c(c1)CC#N)I L12767 [1,1,0,0,0,0|0,0,2]=4 474 B10R1.4 c1ccc(c(c1)CC#N)N H66243 [1,1,0,0,0,0|0,0,2]=4 475 B10R1.4 c1ccc(c(c1)CCN)Br H60739 [1,1,0,0,0,0|0,0,0]=2 476 B10R1.4 c1ccc(c(c1)CCO)F L19998 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.4 c1ccc(c(c1)\C=N\N)O B22878 [1,1,0,0,0,0|1,0,1]=4 478 B10R1.10 CCCc1cccc(c1)O B21266 [1,1,0,0,0,0|0,0,0]=2 479 B10R1.10 CCOc1cccc(c1)Br B21418 [1,1,0,0,0,0|1,0,0]=3 480 B10R1.10 CCOc1cccc(c1)O B24266 [1,1,0,0,0,0|1,0,0]=3 481 B10R1.10 CCOc1cccc(n1)Cl B24984 [1,1,0,0,0,0|2,0,0]=4 482 B10R1.10 CNCc1cccc(c1)Br H54294 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.10 CNCc1cccc(c1)Cl H54986 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.10 CNCc1cccc(c1)F H56177 [1,1,0,0,0,0|1,0,0]=3 485 B10R1.10 Cc1cccc(c1)CC#N A10558 [1,1,0,0,0,0|0,0,2]=4 486 B10R1.10 Cc1cccc(c1)CNC H63231 [1,1,0,0,0,0|1,0,0]=3 487 B10R1.10 c1cc(cc(c1)Br)CC#N B20189 [1,1,0,0,0,0|0,0,2]=4 488 B10R1.10 c1cc(cc(c1)Cl)CC#N A15673 [1,1,0,0,0,0|0,0,2]=4 489 B10R1.10 c1cc(cc(c1)F)CC#N A12737 [1,1,0,0,0,0|0,0,2]=4 490 B10R1.10 c1cc(cc(c1)F)CCN H64762 [1,1,0,0,0,0|0,0,0]=2 491 B10R1.10 c1cc(cc(c1)I)CC#N L15118 [1,1,0,0,0,0|0,0,2]=4 492 B10R1.15 C#CC(c1ccccc1)O L09549 [1,1,0,0,0,0|0,0,2]=4 493 B10R1.15 CC(C#N)c1ccccc1 A13636 [1,1,0,0,0,0|0,0,2]=4 494 B10R1.15 CC(C=O)c1ccccc1 B22436 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.15 CC(CBr)c1ccccc1 L16267 [1,1,0,0,0,0|1,0,0]=3 496 B10R1.15 CC(CN)c1ccccc1 H36338 [1,1,0,0,0,0|0,0,0]=2 497 B10R1.15 CC(CO)c1ccccc1 B23473 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.15 CCC(=O)c1ccccc1 A15140 [1,1,0,0,0,0|0,0,1]=3 499 B10R1.15 CCC(=O)c1cccnc1 L09711 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.15 CCC(=O)c1ccncc1 L11552 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.15 CCC(C)c1ccccc1 B22962 [1,1,0,0,0,0|0,0,0]=2 502 B10R1.15 CCC(c1ccccc1)O A10830 [1,1,0,0,0,0|0,0,0]=2 503 B10R1.15 CC[C@@H](c1ccccc1)N L16320 [1,1,0,0,0,0|0,0,0]=2 504 B10R1.15 CC[C@@H](c1ccccc1)O L06608 [1,1,0,0,0,0|0,0,0]=2 505 B10R1.15 CC[C@H](c1ccccc1)N L16319 [1,1,0,0,0,0|0,0,0]=2 506 B10R1.15 CC[C@H](c1ccccc1)O L05681 [1,1,0,0,0,0|0,0,0]=2 507 B10R1.15 CNC(=O)c1ccccc1 A18057 [1,1,0,0,0,0|1,0,1]=4 508 B10R1.15 COC(=O)c1ccccc1 44368 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.15 COC(=O)c1ccccc1 A12404 [1,1,0,0,0,0|1,0,1]=4 510 B10R1.15 C[C@@H](CO)c1ccccc1 L13999 [1,1,0,0,0,0|1,0,0]=3 511 B10R1.15 C[C@H](CO)c1ccccc1 L13988 [1,1,0,0,0,0|1,0,0]=3 512 B10R1.15 c1ccc(cc1)C(=O)CBr A15576 [1,1,0,0,0,0|1,0,1]=4 513 B10R1.15 c1ccc(cc1)C(=O)CCl A10749 [1,1,0,0,0,0|1,0,1]=4 514 B10R1.15 c1ccc(cc1)C(=O)CN H29117 [1,1,0,0,0,0|0,0,1]=3 515 B10R1.15 c1ccc(cc1)C(=O)CO 42013 [1,1,0,0,0,0|1,0,1]=4 516 B10R1.15 c1ccc(cc1)C(=O)NN A12268 [1,1,0,0,0,0|1,0,1]=4 517 B10R1.15 c1ccc(cc1)C(C#N)O L08698 [1,1,0,0,0,0|0,0,2]=4 518 B10R1.15 c1ccc(cc1)C(CBr)Br B24990 [1,1,0,0,0,0|1,0,0]=3 519 B10R1.15 c1ccc(cc1)C(CCl)O L14538 [1,1,0,0,0,0|1,0,0]=3 520 B10R1.15 c1ccc(cc1)C(CN)O H63932 [1,1,0,0,0,0|0,0,0]=2 521 B10R1.15 c1ccc(cc1)C(CO)O L04551 [1,1,0,0,0,0|1,0,0]=3 522 B10R1.15 c1ccc(cc1)[C@@H](C#N)N L06355 [1,1,0,0,0,0|0,0,2]=4 523 B10R1.15 c1ccc(cc1)[C@@H](CN)O L19404 [1,1,0,0,0,0|0,0,0]=2 524 B10R1.15 c1ccc(cc1)[C@@H](CO)N L13265 [1,1,0,0,0,0|1,0,0]=3 525 B10R1.15 c1ccc(cc1)[C@@H](CO)O L09836 [1,1,0,0,0,0|1,0,0]=3 526 B10R1.15 c1ccc(cc1)[C@H](C#N)O H56658 [1,1,0,0,0,0|0,0,2]=4 527 B10R1.15 c1ccc(cc1)[C@H](CN)O L19403 [1,1,0,0,0,0|0,0,0]=2 528 B10R1.15 c1ccc(cc1)[C@H](CO)N A19030 [1,1,0,0,0,0|1,0,0]=3 529 B10R1.15 c1ccc(cc1)[C@H](CO)O L10494 [1,1,0,0,0,0|1,0,0]=3 530 B10R1.17 C#CCCc1ccccc1 L12946 [1,1,0,0,0,0|0,0,1]=3 531 B10R1.17 C#CCOc1ccccc1 43923 [1,1,0,0,0,0|0,0,2]=4 532 B10R1.17 C#CCOc1ccccc1 A18272 [1,1,0,0,0,0|0,0,2]=4 533 B10R1.17 C1C=CCC(=C1)CCCO H31465 [1,1,0,0,0,0|0,0,2]=4 534 B10R1.17 C=CCNc1ccccc1 H55821 [1,1,0,0,0,0|0,0,2]=4 535 B10R1.17 C=CCOc1ccccc1 L03359 [1,1,0,0,0,0|0,0,2]=4 536 B10R1.17 C=CCSc1ccccc1 L04771 [1,1,0,0,0,0|0,0,2]=4 537 B10R1.17 CCC#Cc1ccccc1 A11332 [1,1,0,0,0,0|0,0,1]=3 538 B10R1.17 CCCC[n+]1ccccc1 19740 [1,1,0,0,0,0|1,0,0]=3 539 B10R1.17 CCCC[n+]1ccccc1 H26995 [1,1,0,0,0,0|1,0,0]=3 540 B10R1.17 CCCCc1ccccc1 A10910 [1,1,0,0,0,0|0,0,0]=2 541 B10R1.17 CCNCc1ccccc1 L05651 [1,1,0,0,0,0|0,0,0]=2 542 B10R1.17 CCNCc1cccnc1 H51120 [1,1,0,0,0,0|1,0,0]=3 543 B10R1.17 CCNCc1ccncc1 L13714 [1,1,0,0,0,0|1,0,0]=3 544 B10R1.17 CNCCc1ccccn1 H50190 [1,1,0,0,0,0|1,0,0]=3 545 B10R1.17 c1ccc(cc1)C#CCCl H53510 [1,1,0,0,0,0|0,0,2]=4 546 B10R1.17 c1ccc(cc1)C#CCO 43778 [1,1,0,0,0,0|0,0,2]=4 547 B10R1.17 c1ccc(cc1)C#CCO L06337 [1,1,0,0,0,0|0,0,2]=4 548 B10R1.17 c1ccc(cc1)CCC#N L06483 [1,1,0,0,0,0|0,0,1]=3 549 B10R1.17 c1ccc(cc1)CCC=O A10367 [1,1,0,0,0,0|0,0,1]=3 550 B10R1.17 c1ccc(cc1)CCCBr A14050 [1,1,0,0,0,0|0,0,0]=2 551 B10R1.17 c1ccc(cc1)CCCCl B20445 [1,1,0,0,0,0|0,0,0]=2 552 B10R1.17 c1ccc(cc1)CCCI H53420 [1,1,0,0,0,0|0,0,0]=2 553 B10R1.17 c1ccc(cc1)CCCN L03023 [1,1,0,0,0,0|0,0,0]=2 554 B10R1.17 c1ccc(cc1)CCCO A13022 [1,1,0,0,0,0|0,0,0]=2 555 B10R1.17 c1ccc(cc1)CCC[Zn+] H58569 [1,1,0,0,0,0|0,0,0]=2 556 B10R1.17 c1ccc(cc1)CN=C=O L02633 [1,1,0,0,0,0|1,0,1]=4 557 B10R1.17 c1ccc(cc1)CN=C=S A15008 [1,1,0,0,0,0|1,0,1]=4 558 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] 32635 [1,1,0,0,0,0|1,0,1]=4 559 B10R1.17 c1ccc(cc1)CNC=O B23722 [1,1,0,0,0,0|1,0,1]=4 560 B10R1.17 c1ccc(cc1)COC=O L13405 [1,1,0,0,0,0|1,0,1]=4 561 B10R1.17 c1ccc(cc1)COCCl H60207 [1,1,0,0,0,0|1,0,0]=3 562 B10R1.17 c1ccc(cc1)CSC#N B23902 [1,1,0,0,0,0|0,0,2]=4 563 B10R1.17 c1ccc(cc1)NCCN L03786 [1,1,0,0,0,0|0,0,0]=2 564 B10R1.17 c1ccc(cc1)NCCO B22131 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.17 c1ccc(cc1)OCC#N A11981 [1,1,0,0,0,0|0,0,2]=4 566 B10R1.17 c1ccc(cc1)OCCBr B21087 [1,1,0,0,0,0|1,0,0]=3 567 B10R1.17 c1ccc(cc1)OCCCl L11345 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.17 c1ccc(cc1)OCCN A12225 [1,1,0,0,0,0|0,0,0]=2 569 B10R1.17 c1ccc(cc1)OCCO A10786 [1,1,0,0,0,0|1,0,0]=3 570 B10R1.17 c1ccc(cc1)SCC#N A12869 [1,1,0,0,0,0|0,0,2]=4 571 B10R1.17 c1ccc(cc1)SCCBr L11005 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.17 c1ccc(cc1)SCCCl B23265 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.17 c1ccc(cc1)SCCO A10861 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.17 c1ccc(cc1)\C=C\CBr L01420 [1,1,0,0,0,0|0,0,2]=4 575 B10R1.17 c1ccc(cc1)\C=C\CCl A14408 [1,1,0,0,0,0|0,0,2]=4 576 B10R1.17 c1ccc(cc1)\C=C\CO A13025 [1,1,0,0,0,0|0,0,2]=4 577 B10R1.13 CC(=C)c1ccc(cc1)Cl A14913 [0,1,0,0,1,0|1,0,1]=4 578 B10R1.13 CC(=C)c1ccc(cc1)F A14147 [0,1,0,0,1,0|1,0,1]=4 579 B10R1.13 CC(=O)c1ccc(cc1)Br A12222 [0,1,0,0,1,0|1,0,1]=4 580 B10R1.13 CC(=O)c1ccc(cc1)Cl A12115 [0,1,0,0,1,0|1,0,1]=4 581 B10R1.13 CC(=O)c1ccc(cc1)F A13950 [0,1,0,0,1,0|1,0,1]=4 582 B10R1.13 CC(=O)c1ccc(cc1)I A16794 [0,1,0,0,1,0|1,0,1]=4 583 B10R1.13 CC(=O)c1ccc(cc1)N A13213 [0,1,0,0,1,0|1,0,1]=4 584 B10R1.13 CC(=O)c1ccc(cc1)O A11974 [0,1,0,0,1,0|1,0,1]=4 585 B10R1.13 CC(C)c1ccc(cc1)Br A13370 [0,1,0,0,1,0|1,0,0]=3 586 B10R1.13 CC(C)c1ccc(cc1)I B25476 [0,1,0,0,1,0|1,0,0]=3 587 B10R1.13 CC(C)c1ccc(cc1)N A14646 [0,1,0,0,1,0|1,0,0]=3 588 B10R1.13 CC(C)c1ccc(cc1)O B22620 [0,1,0,0,1,0|1,0,0]=3 589 B10R1.13 CC(C)c1ccc(cc1)S A16038 [0,1,0,0,1,0|1,0,0]=3 590 B10R1.13 CC(C)c1ccc(cc1)[Mg+] H54594 [0,1,0,0,1,0|1,0,0]=3 591 B10R1.13 CC(c1ccc(cc1)Br)N L11848 [0,1,0,0,1,0|0,0,0]=2 592 B10R1.13 CC(c1ccc(cc1)Br)O B23561 [0,1,0,0,1,0|1,0,0]=3 593 B10R1.13 CC(c1ccc(cc1)Cl)O L05038 [0,1,0,0,1,0|1,0,0]=3 594 B10R1.13 CC(c1ccc(cc1)F)N L04575 [0,1,0,0,1,0|0,0,0]=2 595 B10R1.13 CC(c1ccc(cc1)F)O B22097 [0,1,0,0,1,0|1,0,0]=3 596 B10R1.13 CC(c1ccc(cc1)N)O L03341 [0,1,0,0,1,0|1,0,0]=3 597 B10R1.13 CC(c1ccc(cc1)O)N H63700 [0,1,0,0,1,0|0,0,0]=2 598 B10R1.13 CN(C)c1ccc(cc1)Br A10854 [0,1,0,0,1,0|2,0,0]=4 599 B10R1.13 CN(C)c1ccc(cc1)N A10343 [0,1,0,0,1,0|2,0,0]=4 600 B10R1.13 CN(C)c1ccc(cc1)N A14175 [0,1,0,0,1,0|2,0,0]=4 601 B10R1.13 CN(C)c1ccc(cc1)N A15962 [0,1,0,0,1,0|2,0,0]=4 602 B10R1.13 C[C@@H](c1ccc(cc1)Br)N L20080 [0,1,0,0,1,0|0,0,0]=2 603 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N H66715 [0,1,0,0,1,0|0,0,0]=2 604 B10R1.13 C[C@@H](c1ccc(cc1)Cl)N L19052 [0,1,0,0,1,0|0,0,0]=2 605 B10R1.13 C[C@@H](c1ccc(cc1)F)N L19121 [0,1,0,0,1,0|0,0,0]=2 606 B10R1.13 C[C@@H](c1ccc(cc1)O)N H63269 [0,1,0,0,1,0|0,0,0]=2 607 B10R1.13 C[C@H](c1ccc(cc1)Br)N L20079 [0,1,0,0,1,0|0,0,0]=2 608 B10R1.13 C[C@H](c1ccc(cc1)Cl)N L19119 [0,1,0,0,1,0|0,0,0]=2 609 B10R1.13 C[C@H](c1ccc(cc1)F)N L19120 [0,1,0,0,1,0|0,0,0]=2 610 B10R1.13 C[C@H](c1ccc(cc1)O)N H63001 [0,1,0,0,1,0|0,0,0]=2 611 B10R1.13 Cc1ccc(cc1)C(=C)C H31739 [0,1,0,0,1,0|1,0,1]=4 612 B10R1.13 Cc1ccc(cc1)C(=O)C A14469 [0,1,0,0,1,0|1,0,1]=4 613 B10R1.13 Cc1ccc(cc1)C(=O)N A11559 [0,1,0,0,1,0|1,0,1]=4 614 B10R1.13 Cc1ccc(cc1)C(=S)N B20320 [0,1,0,0,1,0|1,0,1]=4 615 B10R1.13 Cc1ccc(cc1)C(C)C A19226 [0,1,0,0,1,0|1,0,0]=3 616 B10R1.13 Cc1ccc(cc1)C(C)O B20832 [0,1,0,0,1,0|1,0,0]=3 617 B10R1.13 Cc1ccc(cc1)N(C)C A11988 [0,1,0,0,1,0|2,0,0]=4 618 B10R1.13 Cc1ccc(cc1)[C@@H](C)N L16328 [0,1,0,0,1,0|0,0,0]=2 619 B10R1.13 Cc1ccc(cc1)[C@H](C)N L16329 [0,1,0,0,1,0|0,0,0]=2 620 B10R1.13 c1cc(ccc1C(=N)N)Br H37831 [0,1,0,0,1,0|1,0,1]=4 621 B10R1.13 c1cc(ccc1C(=N)N)Cl A11571 [0,1,0,0,1,0|1,0,1]=4 622 B10R1.13 c1cc(ccc1C(=N)N)F H61570 [0,1,0,0,1,0|1,0,1]=4 623 B10R1.13 c1cc(ccc1C(=N)N)N L14089 [0,1,0,0,1,0|1,0,1]=4 624 B10R1.13 c1cc(ccc1C(=N)N)O H31566 [0,1,0,0,1,0|1,0,1]=4 625 B10R1.13 c1cc(ccc1C(=O)N)Br B24348 [0,1,0,0,1,0|1,0,1]=4 626 B10R1.13 c1cc(ccc1C(=O)N)Cl A13809 [0,1,0,0,1,0|1,0,1]=4 627 B10R1.13 c1cc(ccc1C(=O)N)F L06831 [0,1,0,0,1,0|1,0,1]=4 628 B10R1.13 c1cc(ccc1C(=O)N)N A12594 [0,1,0,0,1,0|1,0,1]=4 629 B10R1.13 c1cc(ccc1C(=O)N)O B24222 [0,1,0,0,1,0|1,0,1]=4 630 B10R1.13 c1cc(ccc1C(=S)N)Br H55956 [0,1,0,0,1,0|1,0,1]=4 631 B10R1.13 c1cc(ccc1C(=S)N)Cl A12021 [0,1,0,0,1,0|1,0,1]=4 632 B10R1.13 c1cc(ccc1C(=S)N)F H32093 [0,1,0,0,1,0|1,0,1]=4 633 B10R1.13 c1cc(ccc1C(=S)N)N H51849 [0,1,0,0,1,0|1,0,1]=4 634 B10R1.13 c1cc(ccc1C(=S)N)O H32780 [0,1,0,0,1,0|1,0,1]=4 635 B10R1.13 c1cc(ccc1C(F)F)Br H33941 [0,1,0,0,1,0|2,0,0]=4 636 B10R1.13 c1cc(ccc1C(F)F)Cl H34035 [0,1,0,0,1,0|2,0,0]=4 637 B10R1.28 CC(C)(C)c1ccccc1 A12378 [0,1,0,0,1,0|1,0,0]=3 638 B10R1.28 CC(C)(C)c1ccccc1 L19048 [0,1,0,0,1,0|1,0,0]=3 639 B10R1.28 CC(C)(c1ccccc1)N H26845 [0,1,0,0,1,0|0,0,0]=2 640 B10R1.28 CC(C)(c1ccccc1)O A15580 [0,1,0,0,1,0|1,0,0]=3 641 B10R1.28 CP(=O)(c1ccccc1)Cl A18349 [0,1,0,0,1,0|2,0,0]=4 642 B10R1.28 CP(=O)(c1ccccc1)O A19774 [0,1,0,0,1,0|2,0,0]=4 643 B10R1.28 CS(=O)(=O)c1ccccc1 A11727 [0,1,0,0,1,0|2,0,0]=4 644 B10R1.28 C[N+](C)(C)c1ccccc1 A14402 [0,1,0,0,1,0|2,0,0]=4 645 B10R1.28 C[N+](C)(C)c1ccccc1 A15326 [0,1,0,0,1,0|2,0,0]=4 646 B10R1.28 C[N+](C)(C)c1ccccc1 B22851 [0,1,0,0,1,0|2,0,0]=4 647 B10R1.28 C[S@@](=N)(=O)c1ccccc1 L08562 [0,1,0,0,1,0|1,0,1]=4 648 B10R1.28 C[S@](=N)(=O)c1ccccc1 L08618 [0,1,0,0,1,0|1,0,1]=4 649 B10R1.28 C[Si](C)(C)c1ccccc1 L02876 [0,1,0,0,1,0|1,1,0]=4 650 B10R1.28 C[Si](C)(c1ccccc1)Cl A15638 [0,1,0,0,1,0|1,1,0]=4 651 B10R1.28 C[Si](C)(c1ccccc1)O H27377 [0,1,0,0,1,0|1,1,0]=4 652 B10R1.28 C[Si](C)(c1ccccc1)[O-] H28457 [0,1,0,0,1,0|1,1,0]=4 653 B10R1.28 C[Si](c1ccccc1)(Cl)Cl B23999 [0,1,0,0,1,0|1,1,0]=4 654 B10R1.28 c1ccc(cc1)C(Cl)(Cl)Cl A15652 [0,1,0,0,1,0|2,0,0]=4 655 B10R1.28 c1ccc(cc1)C(F)(F)F B21340 [0,1,0,0,1,0|2,0,0]=4 656 B10R1.28 c1ccc(cc1)S(=O)(=O)N A10891 [0,1,0,0,1,0|2,0,0]=4 657 B10R1.61 CC(=O)c1ccccc1Br A11982 [0,1,0,0,1,0|1,0,1]=4 658 B10R1.61 CC(=O)c1ccccc1Cl A15232 [0,1,0,0,1,0|1,0,1]=4 659 B10R1.61 CC(=O)c1ccccc1F A15128 [0,1,0,0,1,0|1,0,1]=4 660 B10R1.61 CC(=O)c1ccccc1I B25345 [0,1,0,0,1,0|1,0,1]=4 661 B10R1.61 CC(=O)c1ccccc1N A10895 [0,1,0,0,1,0|1,0,1]=4 662 B10R1.61 CC(=O)c1ccccc1O A12550 [0,1,0,0,1,0|1,0,1]=4 663 B10R1.61 CC(C)c1ccccc1Br L00941 [0,1,0,0,1,0|1,0,0]=3 664 B10R1.61 CC(C)c1ccccc1I L01533 [0,1,0,0,1,0|1,0,0]=3 665 B10R1.61 CC(C)c1ccccc1N A14671 [0,1,0,0,1,0|1,0,0]=3 666 B10R1.61 CC(C)c1ccccc1O A12027 [0,1,0,0,1,0|1,0,0]=3 667 B10R1.61 CC(c1ccccc1Cl)O B24800 [0,1,0,0,1,0|1,0,0]=3 668 B10R1.61 CC(c1ccccc1F)O H31900 [0,1,0,0,1,0|1,0,0]=3 669 B10R1.61 CN(C)c1ccccc1Br B25564 [0,1,0,0,1,0|2,0,0]=4 670 B10R1.61 C[C@@H](c1ccccc1Cl)O H60935 [0,1,0,0,1,0|1,0,0]=3 671 B10R1.61 C[C@H](c1ccccc1Br)O H56003 [0,1,0,0,1,0|1,0,0]=3 672 B10R1.61 C[C@H](c1ccccc1Cl)O H60061 [0,1,0,0,1,0|1,0,0]=3 673 B10R1.61 Cc1ccccc1C(=C)C H26073 [0,1,0,0,1,0|1,0,1]=4 674 B10R1.61 Cc1ccccc1C(=O)C A11695 [0,1,0,0,1,0|1,0,1]=4 675 B10R1.61 Cc1ccccc1C(=S)N H51790 [0,1,0,0,1,0|1,0,1]=4 676 B10R1.61 Cc1ccccc1C(C)O L08065 [0,1,0,0,1,0|1,0,0]=3 677 B10R1.61 c1ccc(c(c1)C(=O)N)Br A18331 [0,1,0,0,1,0|1,0,1]=4 678 B10R1.61 c1ccc(c(c1)C(=O)N)Cl A15706 [0,1,0,0,1,0|1,0,1]=4 679 B10R1.61 c1ccc(c(c1)C(=O)N)F L07870 [0,1,0,0,1,0|1,0,1]=4 680 B10R1.61 c1ccc(c(c1)C(=O)N)N A14756 [0,1,0,0,1,0|1,0,1]=4 681 B10R1.61 c1ccc(c(c1)C(=O)N)O A10797 [0,1,0,0,1,0|1,0,1]=4 682 B10R1.61 c1ccc(c(c1)C(=S)N)Br H55238 [0,1,0,0,1,0|1,0,1]=4 683 B10R1.61 c1ccc(c(c1)C(=S)N)Cl L11180 [0,1,0,0,1,0|1,0,1]=4 684 B10R1.61 c1ccc(c(c1)C(=S)N)N H51809 [0,1,0,0,1,0|1,0,1]=4 685 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F L03984 [0,1,0,0,1,0|2,0,0]=4 686 B10R1.61 c1ccc(c(c1)C(F)F)F H33688 [0,1,0,0,1,0|2,0,0]=4 687 B10R1.113 CC(=O)c1cccc(c1)Br A12454 [0,1,0,0,1,0|1,0,1]=4 688 B10R1.113 CC(=O)c1cccc(c1)Cl A15592 [0,1,0,0,1,0|1,0,1]=4 689 B10R1.113 CC(=O)c1cccc(c1)F A11733 [0,1,0,0,1,0|1,0,1]=4 690 B10R1.113 CC(=O)c1cccc(c1)N A12503 [0,1,0,0,1,0|1,0,1]=4 691 B10R1.113 CC(=O)c1cccc(c1)O A12547 [0,1,0,0,1,0|1,0,1]=4 692 B10R1.113 CC(C)c1cccc(c1)Br L17654 [0,1,0,0,1,0|1,0,0]=3 693 B10R1.113 CC(c1cccc(c1)Cl)O L04783 [0,1,0,0,1,0|1,0,0]=3 694 B10R1.113 CC(c1cccc(c1)F)O B23144 [0,1,0,0,1,0|1,0,0]=3 695 B10R1.113 CC(c1cccc(c1)N)O L06513 [0,1,0,0,1,0|1,0,0]=3 696 B10R1.113 CN(C)c1cccc(c1)Br L17279 [0,1,0,0,1,0|2,0,0]=4 697 B10R1.113 CN(C)c1cccc(c1)Cl L08563 [0,1,0,0,1,0|2,0,0]=4 698 B10R1.113 CN(C)c1cccc(c1)N L00403 [0,1,0,0,1,0|2,0,0]=4 699 B10R1.113 CN(C)c1cccc(c1)O B23067 [0,1,0,0,1,0|2,0,0]=4 700 B10R1.113 C[C@@H](c1cccc(c1)Br)N H26998 [0,1,0,0,1,0|0,0,0]=2 701 B10R1.113 C[C@@H](c1cccc(c1)Cl)N H27637 [0,1,0,0,1,0|0,0,0]=2 702 B10R1.113 C[C@H](c1cccc(c1)Br)N H27636 [0,1,0,0,1,0|0,0,0]=2 703 B10R1.113 C[C@H](c1cccc(c1)Cl)N H27461 [0,1,0,0,1,0|0,0,0]=2 704 B10R1.113 Cc1cccc(c1)C(=C)C H50760 [0,1,0,0,1,0|1,0,1]=4 705 B10R1.113 Cc1cccc(c1)C(=O)C L00440 [0,1,0,0,1,0|1,0,1]=4 706 B10R1.113 Cc1cccc(c1)C(=O)N B24442 [0,1,0,0,1,0|1,0,1]=4 707 B10R1.113 Cc1cccc(c1)C(=S)N H26468 [0,1,0,0,1,0|1,0,1]=4 708 B10R1.113 Cc1cccc(c1)C(C)O H32784 [0,1,0,0,1,0|1,0,0]=3 709 B10R1.113 Cc1cccc(c1)N(C)C A13326 [0,1,0,0,1,0|2,0,0]=4 710 B10R1.113 c1cc(cc(c1)Br)C(=O)N H64672 [0,1,0,0,1,0|1,0,1]=4 711 B10R1.113 c1cc(cc(c1)Cl)C(=O)N A11389 [0,1,0,0,1,0|1,0,1]=4 712 B10R1.113 c1cc(cc(c1)Cl)C(=S)N H26423 [0,1,0,0,1,0|1,0,1]=4 713 B10R1.113 c1cc(cc(c1)Cl)C(Cl)Cl B21973 [0,1,0,0,1,0|2,0,0]=4 714 B10R1.113 c1cc(cc(c1)F)C(=O)N L06701 [0,1,0,0,1,0|1,0,1]=4 715 B10R1.113 c1cc(cc(c1)F)C(Cl)Cl L04121 [0,1,0,0,1,0|2,0,0]=4 716 B10R1.113 c1cc(cc(c1)N)C(=O)N A10793 [0,1,0,0,1,0|1,0,1]=4 717 B10R1.113 c1cc(cc(c1)N)C(=S)N H51806 [0,1,0,0,1,0|1,0,1]=4 718 B10R1.113 c1cc(cc(c1)N)C(F)F H34188 [0,1,0,0,1,0|2,0,0]=4 719 B10R1.113 c1cc(cc(c1)O)C(=S)N H52236 [0,1,0,0,1,0|1,0,1]=4 720 B12R1.21 CC(=O)CCc1ccc(cc1)O A14064 [0,1,0,0,0,1|1,0,1]=4 721 B12R1.21 CC(=O)CSc1ccc(cc1)F B20094 [0,1,0,0,0,1|1,0,1]=4 722 B12R1.21 CC(C)NCc1ccc(cc1)F H56659 [0,1,0,0,0,1|1,0,0]=3 723 B12R1.21 Cc1ccc(cc1)COC(=O)C B22318 [0,1,0,0,0,1|1,0,1]=4 724 B12R1.21 Cc1ccc(cc1)SCC(=O)C B20247 [0,1,0,0,0,1|1,0,1]=4 725 B12R1.21 c1cc(ccc1CNC(=O)N)F A12865 [0,1,0,0,0,1|1,0,1]=4 726 B12R1.21 c1cc(ccc1CSC(=[NH2+])N)Cl B25362 [0,1,0,0,0,1|1,0,1]=4 727 B12R1.21 c1cc(ccc1OCC(=S)N)Cl L12711 [0,1,0,0,0,1|1,0,1]=4 728 B12R1.27 CCC(=O)OCc1ccccc1 B23186 [0,1,0,0,0,1|1,0,1]=4 729 B12R1.27 CCC(C#Cc1ccccc1)O H53416 [0,1,0,0,0,1|1,0,1]=4 730 B12R1.27 COC(=O)CCc1ccccc1 L05310 [0,1,0,0,0,1|1,0,1]=4 731 B12R1.27 COC(=O)CSc1ccccc1 L12649 [0,1,0,0,0,1|1,0,1]=4 732 B12R1.27 c1ccc(cc1)CNC(=S)NN L10920 [0,1,0,0,0,1|1,0,1]=4 733 B12R1.27 c1ccc(cc1)COC(=O)CBr A17630 [0,1,0,0,0,1|1,0,1]=4 734 B12R1.27 c1ccc(cc1)COC(=O)CN H50247 [0,1,0,0,0,1|1,0,1]=4 735 B12R1.27 c1ccc(cc1)COC(=O)CN H56016 [0,1,0,0,0,1|1,0,1]=4 736 B12R1.27 c1ccc(cc1)COC(=O)NN A13005 [0,1,0,0,0,1|1,0,1]=4 737 B12R1.27 c1ccc(cc1)COC(=O)NO L13175 [0,1,0,0,0,1|1,0,1]=4 738 B12R1.27 c1ccc(cc1)OCC(CN)O H50245 [0,1,0,0,0,1|1,0,0]=3 739 B12R1.27 c1ccc(cc1)OCC(CO)O B25701 [0,1,0,0,0,1|1,0,0]=3 740 B12R1.43 CC(C)C(=O)Cc1ccccc1 L07176 [0,1,0,0,0,1|1,0,0]=3 741 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H62030 [0,1,0,0,0,1|1,0,1]=4 742 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)N)N H65506 [0,1,0,0,0,1|1,0,1]=4 743 B12R1.43 c1ccc(cc1)C[C@H](C(=O)N)N H65853 [0,1,0,0,0,1|1,0,1]=4 744 B12R1.107 CC(=O)CC(=O)c1ccccc1 A14537 [0,1,0,0,0,1|1,0,1]=4 745 B12R1.107 C[C@@H](c1ccccc1)NC(C)C L18355 [0,1,0,0,0,1|1,0,0]=3 746 B12R1.107 C[C@H](c1ccccc1)NC(C)C L18354 [0,1,0,0,0,1|1,0,0]=3 747 B12R1.125 CC(=O)NCc1ccccc1Br H50599 [0,1,0,0,0,1|1,0,1]=4 748 B12R1.125 CC(C)NCc1ccccc1F H56639 [0,1,0,0,0,1|1,0,0]=3 749 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl B25223 [0,1,0,0,0,1|1,0,1]=4 750 B12R1.226 CC(C)NCc1cccc(c1)F H56383 [0,1,0,0,0,1|1,0,0]=3 751 B12R1.891 CC(C)(C)NCc1ccccc1 L01146 [0,1,0,0,0,1|1,0,0]=3 752 B12R1.4 CC(=O)Cc1ccc(cc1)OC A13209 [0,2,0,0,0,0|1,0,1]=4 753 B12R1.4 CC(C)Oc1ccc(cc1)C=O A12760 [0,2,0,0,0,0|2,0,0]=4 754 B12R1.4 CCc1ccc(cc1)CC(=O)C A18810 [0,2,0,0,0,0|1,0,1]=4 755 B12R1.4 COc1ccc(cc1)CC(=O)N L05644 [0,2,0,0,0,0|1,0,1]=4 756 B12R1.4 COc1ccc(cc1)CC(=S)N H26742 [0,2,0,0,0,0|1,0,1]=4 757 B12R1.20 CC(C(=O)c1ccc(cc1)F)Br H61338 [0,2,0,0,0,0|1,0,1]=4 758 B12R1.20 CC(C)C(=O)c1ccc(cc1)F H26036 [0,2,0,0,0,0|1,0,1]=4 759 B12R1.20 Cc1ccc(cc1)C(=O)C(C)Br H64881 [0,2,0,0,0,0|1,0,1]=4 760 B12R1.49 COC(=O)Cc1ccc(cc1)F H32236 [0,2,0,0,0,0|1,0,1]=4 761 B12R1.49 COC(=O)Cc1ccc(cc1)O B22533 [0,2,0,0,0,0|1,0,1]=4 762 B12R1.49 Cc1ccc(cc1)C\C(=N\O)\N H66026 [0,2,0,0,0,0|1,0,1]=4 763 B12R1.49 c1cc(ccc1C\C(=N\O)\N)Br H66891 [0,2,0,0,0,0|1,0,1]=4 764 B12R1.49 c1cc(ccc1C\C(=N\O)\N)F H66999 [0,2,0,0,0,0|1,0,1]=4 765 B12R1.49 c1cc(ccc1C\C(=N\O)\N)N H66933 [0,2,0,0,0,0|1,0,1]=4 766 B12R1.106 CC(C)(C)Oc1ccc(cc1)Br L20158 [0,2,0,0,0,0|2,0,0]=4 767 B12R1.106 CC(C)(C)Oc1ccc(cc1)O H26013 [0,2,0,0,0,0|2,0,0]=4 768 B12R1.106 CC(C)(Cc1ccc(cc1)F)N L11858 [0,2,0,0,0,0|0,0,0]=2 769 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=S)N H26672 [0,2,0,0,0,0|1,0,1]=4 770 B12R1.34 CC(c1ccccc1)\C(=N\O)\N H66170 [0,2,0,0,0,0|1,0,1]=4 771 B12R1.34 COC(=O)C(c1ccccc1)Br L09043 [0,2,0,0,0,0|1,0,1]=4 772 B12R1.34 COC(=O)C(c1ccccc1)O L12706 [0,2,0,0,0,0|1,0,1]=4 773 B12R1.34 COC(=O)[C@@H](c1ccccc1)N L18735 [0,2,0,0,0,0|1,0,1]=4 774 B12R1.34 COC(=O)[C@@H](c1ccccc1)O L14065 [0,2,0,0,0,0|1,0,1]=4 775 B12R1.34 COC(=O)[C@H](c1ccccc1)N H62874 [0,2,0,0,0,0|1,0,1]=4 776 B12R1.34 COC(=O)[C@H](c1ccccc1)O L14070 [0,2,0,0,0,0|1,0,1]=4 777 B12R1.34 c1ccc(cc1)C(C(=O)NN)O L11653 [0,2,0,0,0,0|1,0,1]=4 778 B12R1.34 c1ccc(cc1)C(\C(=N\O)\N)O H58446 [0,2,0,0,0,0|1,0,1]=4 779 B12R1.34 c1ccc(cc1)[C@@H]([C@H](CO)N)O 42183 [0,2,0,0,0,0|0,0,0]=2 780 B12R1.225 CC(C(=O)c1cccc(c1)Cl)Br H64999 [0,2,0,0,0,0|1,0,1]=4 781 B12R1.478 CCC(c1ccccc1)C(=O)N A18501 [0,2,0,0,0,0|1,0,1]=4 782 B12R1.478 CN(C)C(C#N)c1ccccc1 H27631 [0,2,0,0,0,0|2,0,0]=4 783 B12R1.478 CN(C)C(CN)c1ccccc1 H50291 [0,2,0,0,0,0|2,0,0]=4 784 B12R1.564 CC(C)(C)C(=O)c1ccccc1 L08729 [0,2,0,0,0,0|1,0,1]=4 785 B12R1.564 c1ccc(cc1)C(C(Cl)(Cl)Cl)O L06694 [0,2,0,0,0,0|2,0,0]=4 786 B12R1.564 c1ccc(cc1)C(C(F)(F)F)O B21235 [0,2,0,0,0,0|2,0,0]=4 787 B12R1.32 CCOC(=O)Cc1ccccc1 A19356 [0,2,0,0,0,0|1,0,1]=4 788 B12R1.50 Cc1cccc(c1)C\C(=N\O)\N H66784 [0,2,0,0,0,0|1,0,1]=4 789 B12R1.118 COC(Cc1ccccc1)OC A18730 [0,2,0,0,0,0|1,0,0]=3 790 B12R1.194 CO[Si](C)(C)Cc1ccccc1 H28574 [0,2,0,0,0,0|1,1,0]=4 791 B12R1.371 Cc1ccccc1CC(=O)OC L09877 [0,2,0,0,0,0|1,0,1]=4 792 B12R1.75 CC(=O)Cc1ccccc1OC B24495 [0,2,0,0,0,0|1,0,1]=4 793 B12R1.75 CC(C)Oc1ccccc1C=O H50487 [0,2,0,0,0,0|2,0,0]=4 794 B12R1.75 COc1ccccc1CC(=S)N H31541 [0,2,0,0,0,0|1,0,1]=4 795 B12R1.127 CN(C)Cc1cc(ccc1O)F H31820 [0,2,0,0,0,0|2,0,0]=4 796 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=S)N H34058 [0,2,0,0,0,0|1,0,1]=4 797 B12R1.1009 c1cc(c(c(c1)Cl)CC(=S)N)Cl H26746 [0,2,0,0,0,0|1,0,1]=4 798 B12R1.438 CC(=O)Cc1cccc(c1)OC B20916 [0,2,0,0,0,0|1,0,1]=4 799 B12R1.438 CN(C)Cc1cccc(c1)OC H55260 [0,2,0,0,0,0|2,0,0]=4 800 B12R1.438 COc1cccc(c1)CC(=S)N H31615 [0,2,0,0,0,0|1,0,1]=4 801 B10R2.6 c1ccc(cc1)C2CO2 L07821 [1,0,0,1,0,0|1,0,0]=3 802 B10R2.6 c1ccc(cc1)[C@@H]2CO2 B21245 [1,0,0,1,0,0|1,0,0]=3 803 B10R2.7 c1cc2c(nc1)CCC2 H25896 [1,0,0,1,0,0|1,0,0]=3 804 B10R2.7 c1cc2c(nc1)NCC2 H64551 [1,0,0,1,0,0|1,0,0]=3 805 B10R2.7 c1ccc2c(c1)CC=C2 A12192 [1,0,0,1,0,0|0,0,2]=4 806 B10R2.7 c1ccc2c(c1)CC=C2 L12665 [1,0,0,1,0,0|0,0,2]=4 807 B10R2.7 c1ccc2c(c1)CCC2 B21442 [1,0,0,1,0,0|0,0,0]=2 808 B10R2.7 c1ccc2c(c1)CCN2 A11000 [1,0,0,1,0,0|0,0,0]=2 809 B10R2.7 c1ccc2c(c1)CCO2 A11368 [1,0,0,1,0,0|1,0,0]=3 810 B10R2.7 c1ccc2c(c1)CNC2 H63012 [1,0,0,1,0,0|1,0,0]=3 811 B10R2.7 c1ccc2c(c1)COC2 45592 [1,0,0,1,0,0|1,0,0]=3 812 B10R2.7 c1ccc2c(c1)COC2 A10217 [1,0,0,1,0,0|1,0,0]=3 813 B10R2.7 c1ccc2c(c1)OCO2 A14192 [1,0,0,1,0,0|2,0,0]=4 814 B10R2.7 c1ccc2c(c1)[nH]cn2 A12763 [1,0,0,1,0,0|1,0,1]=4 815 B10R2.7 c1ccc2c(c1)[nH]nn2 A15423 [1,0,0,1,0,0|2,0,0]=4 816 B10R2.7 c1ccc2c(c1)cc[nH]2 A14427 [1,0,0,1,0,0|0,0,2]=4 817 B10R2.7 c1ccc2c(c1)cn[nH]2 A11665 [1,0,0,1,0,0|1,0,1]=4 818 B12R2.24 CC1CNc2ccccc2O1 H61002 [0,0,0,1,0,1|1,0,0]=3 819 B12R2.24 CC1CNc2ccccc2S1 H61005 [0,0,0,1,0,1|1,0,0]=3 820 B12R2.24 c1ccc2c(c1)CCC(=O)C2 L01053 [0,0,0,1,0,1|1,0,1]=4 821 B12R2.24 c1ccc2c(c1)CCC(=O)N2 H36638 [0,0,0,1,0,1|1,0,1]=4 822 B12R2.24 c1ccc2c(c1)CCC(C2)N H66652 [0,0,0,1,0,1|0,0,0]=2 823 B12R2.24 c1ccc2c(c1)CNC(=O)N2 L07763 [0,0,0,1,0,1|1,0,1]=4 824 B12R2.24 c1ccc2c(c1)NC(=O)CO2 H27622 [0,0,0,1,0,1|1,0,1]=4 825 B12R2.24 c1ccc2c(c1)NC(=O)CS2 A11091 [0,0,0,1,0,1|1,0,1]=4 826 B12R2.92 CC1(CC1c2ccccc2)C B21271 [0,0,0,1,0,1|1,0,0]=3 827 B12R2.92 c1ccc(cc1)C2CC2(Cl)Cl A12279 [0,0,0,1,0,1|2,0,0]=4 828 B12R2.2057 c1ccc(cc1)OCC2CO2 B21768 [0,0,0,1,0,1|1,0,0]=3 829 B12R2.606 Cc1cc2cc(ccc2[nH]1)Br H66848 [0,1,0,1,0,0|0,0,2]=4 830 B12R2.606 Cc1cc2cc(ccc2[nH]1)Cl B21036 [0,1,0,1,0,0|0,0,2]=4 831 B12R2.606 Cc1cc2cc(ccc2[nH]1)F H66121 [0,1,0,1,0,0|0,0,2]=4 832 B12R2.606 Cc1cc2cc(ccc2[nH]1)N B21694 [0,1,0,1,0,0|0,0,2]=4 833 B12R2.606 Cc1cc2cc(ccc2[nH]1)O H35580 [0,1,0,1,0,0|0,0,2]=4 834 B12R2.606 Cc1ccc2c(c1)cc([nH]2)C H66874 [0,1,0,1,0,0|0,0,2]=4 835 B12R2.606 c1cc2c(cc1Br)CC(=O)N2 H50573 [0,1,0,1,0,0|1,0,1]=4 836 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 H56012 [0,1,0,1,0,0|1,0,1]=4 837 B12R2.606 c1cc2c(cc1Cl)CC(=O)N2 A19210 [0,1,0,1,0,0|1,0,1]=4 838 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 A19674 [0,1,0,1,0,0|1,0,1]=4 839 B12R2.606 c1cc2c(cc1F)CC(=O)N2 H32176 [0,1,0,1,0,0|1,0,1]=4 840 B12R2.18 CC1c2ccccc2NC1=O H27662 [0,1,0,1,0,0|1,0,1]=4 841 B12R2.18 Cc1c([nH]c2c1cccc2)C A18504 [0,1,0,1,0,0|0,0,2]=4 842 B12R2.18 c1ccc2c(c1)CC(C2=O)Br L12453 [0,1,0,1,0,0|1,0,1]=4 843 B12R2.18 c1ccc2c(c1)CC(C2O)Br A13511 [0,1,0,1,0,0|1,0,0]=3 844 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O H32066 [0,1,0,1,0,0|1,0,0]=3 845 B12R2.2075 c1ccc(cc1)C(=O)C2CC2 L02218 [0,1,0,1,0,0|1,0,1]=4 846 B12R2.32 CCC1=Cc2ccccc2C1 B23104 [0,1,0,1,0,0|1,0,1]=4 847 B12R2.32 CSc1[nH]c2ccccc2n1 A10686 [0,1,0,1,0,0|1,0,1]=4 848 B12R2.32 c1ccc2c(c1)CC(C2)CN H66610 [0,1,0,1,0,0|0,0,0]=2 849 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO H27711 [0,1,0,1,0,0|0,0,0]=2 850 B12R2.32 c1ccc2c(c1)[nH]c(n2)CCl B25548 [0,1,0,1,0,0|1,0,1]=4 851 B12R2.32 c1ccc2c(c1)[nH]c(n2)CN L07440 [0,1,0,1,0,0|1,0,1]=4 852 B12R2.32 c1ccc2c(c1)cc([nH]2)CN H54281 [0,1,0,1,0,0|0,0,2]=4 853 B12R2.202 Cc1cc2c([nH]1)cccc2O H54770 [0,1,0,1,0,0|0,0,2]=4 854 B12R2.202 Cc1cccc2c1CC(=O)N2 H66430 [0,1,0,1,0,0|1,0,1]=4 855 B12R2.202 c1cc2c(c(c1)F)NC(=O)C2 H61511 [0,1,0,1,0,0|1,0,1]=4 856 B12R2.202 c1cc2c(c(c1)I)NC(=O)C2 H52337 [0,1,0,1,0,0|1,0,1]=4 857 B8R1.8 CCCc1ccco1 B21703 [1,0,0,0,1,0|1,0,0]=3 858 B8R1.8 CCCc1cccs1 L03052 [1,0,0,0,1,0|1,0,0]=3 859 B8R1.8 CCCc1nccs1 A11574 [1,0,0,0,1,0|2,0,0]=4 860 B8R1.8 CSCc1ccco1 B21691 [1,0,0,0,1,0|2,0,0]=4 861 B8R1.8 c1c(nc[nH]1)CCN L09198 [1,0,0,0,1,0|2,0,0]=4 862 B8R1.8 c1cc(sc1)CCN A10920 [1,0,0,0,1,0|1,0,0]=3 863 B8R1.8 c1cc(sc1)CCO B21562 [1,0,0,0,1,0|2,0,0]=4 864 B8R1.8 c1cscc1CCO L15138 [1,0,0,0,1,0|2,0,0]=4 865 B8R1.7 CC(=C1C=CC=C1)C B21826 [0,0,0,0,2,0|1,0,1]=4 866 B8R1.7 CC(C1=CCC=C1)O L19681 [0,0,0,0,2,0|1,0,1]=4 867 B8R1.7 CC(c1cccs1)N H26052 [0,0,0,0,2,0|1,0,0]=3 868 B8R1.7 C[C@@H](C1=CCC=C1)O L19683 [0,0,0,0,2,0|1,0,1]=4 869 B8R1.7 C[C@H](C1=CCC=C1)O L19682 [0,0,0,0,2,0|1,0,1]=4 870 B8R1.7 C[C@H](c1cccs1)O H26936 [0,0,0,0,2,0|2,0,0]=4 871 B12R1.252 CC(=O)CSCc1ccccc1 L03814 [0,0,0,0,0,2|1,0,1]=4 872 B12R1.252 CC(=O)OCCc1ccccc1 B21238 [0,0,0,0,0,2|1,0,1]=4 873 B12R1.252 CC(CNCc1ccccc1)O H50329 [0,0,0,0,0,2|1,0,0]=3 874 B12R1.252 C[C@@H](COCc1ccccc1)O H60523 [0,0,0,0,0,2|1,0,0]=3 875 B12R1.252 c1ccc(cc1)CCNC(=S)N L10520 [0,0,0,0,0,2|1,0,1]=4