0 B10R1.4 C=CCc1ccccc1Cl TS41221 [0,0,0,0,0,0|1,0,1]=2 1 B10R1.4 C=CCc1ccccc1O TS36846 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.4 C=CCn1ccccc1=O TS36913 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.4 CC=Cc1ccccc1O TS36834 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.4 CCCc1ccccc1C TS05927 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.4 CCCc1ccccc1N TS36961 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.4 CCCc1ccccc1O TS06077 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.4 CCCn1ccccc1=O TS37115 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.4 CCNc1ccccc1C TS06011 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.4 CCNc1ccccc1F TS37294 [0,0,0,0,0,0|2,1,0]=3 10 B10R1.4 CCOc1c(cccn1)Br TS19321 [0,0,0,0,0,0|3,1,0]=4 11 B10R1.4 CCOc1c(cccn1)I TS27857 [0,0,0,0,0,0|3,1,0]=4 12 B10R1.4 CCOc1ccccc1Br TS39657 [0,0,0,0,0,0|2,1,0]=3 13 B10R1.4 CCOc1ccccc1Cl TS41727 [0,0,0,0,0,0|2,0,0]=2 14 B10R1.4 CCOc1ccccc1F TS37374 [0,0,0,0,0,0|2,1,0]=3 15 B10R1.4 CCOc1ccccc1N TS37118 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.4 CCOc1ccccc1N TS45700 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.4 CCOc1ccccc1O TS06253 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.4 CCOc1ccccc1S TS41408 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.4 CCOc1cccnc1Br TS19312 [0,0,0,0,0,0|3,1,0]=4 20 B10R1.4 CCOc1cccnc1N TS37190 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.4 CCOc1ccncc1Br TS19320 [0,0,0,0,0,0|3,1,0]=4 22 B10R1.4 CCOc1ccncc1N TS37196 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.4 CCOc1cnccc1Br TS38195 [0,0,0,0,0,0|3,1,0]=4 24 B10R1.4 CCSc1ccccc1Br TS49221 [0,0,0,0,0,0|2,1,0]=3 25 B10R1.4 CCSc1ccccc1O TS41412 [0,0,0,0,0,0|3,0,0]=3 26 B10R1.4 CNCc1c(cccn1)F TS86149 [0,0,0,0,0,0|3,1,0]=4 27 B10R1.4 CNCc1ccccc1Cl TS56333 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.4 CNCc1ccccc1O TS45699 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.4 COCc1ccccc1F TS37369 [0,0,0,0,0,0|2,1,0]=3 30 B10R1.4 Cc1c(cccn1)CCO TS37129 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.4 Cc1ccccc1CC#N TS05669 [0,0,0,0,0,0|1,0,2]=3 32 B10R1.4 Cc1ccccc1CC=C TS05766 [0,0,0,0,0,0|2,0,1]=3 33 B10R1.4 Cc1ccccc1CCBr TS54167 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.4 Cc1ccccc1CCO TS37017 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.4 Cc1ccccc1CNC TS36965 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.4 Cc1ccccc1N=C=O TS16709 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.4 Cc1ccccc1N=C=S TS40763 [0,0,0,0,0,0|3,0,1]=4 38 B10R1.4 Cc1ccccc1NC=O TS36923 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [0,0,0,0,0,0|2,0,0]=2 40 B10R1.4 c1cc(c(nc1)CC#N)Br TS86311 [0,0,0,0,0,0|1,1,2]=4 41 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [0,0,0,0,0,0|1,1,0]=2 42 B10R1.4 c1cc(c(nc1)Cl)CC#N TS86278 [0,0,0,0,0,0|1,0,2]=3 43 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [0,0,0,0,0,0|2,1,1]=4 45 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [0,0,0,0,0,0|2,1,1]=4 47 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [0,0,0,0,0,0|0,1,2]=3 49 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [0,0,0,0,0,0|0,0,2]=2 50 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [0,0,0,0,0,0|0,1,2]=3 51 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [0,0,0,0,0,0|0,1,2]=3 52 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [0,0,0,0,0,0|1,0,2]=3 53 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [0,0,0,0,0,0|1,0,0]=1 54 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [0,0,0,0,0,0|1,1,0]=2 55 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [0,0,0,0,0,0|0,1,0]=1 56 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [0,0,0,0,0,0|0,0,0]=0 57 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [0,0,0,0,0,0|0,1,0]=1 58 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [0,0,0,0,0,0|0,1,0]=1 59 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [0,0,0,0,0,0|1,0,0]=1 60 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [0,0,0,0,0,0|1,0,0]=1 61 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [0,0,0,0,0,0|1,1,0]=2 62 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [0,0,0,0,0,0|1,0,0]=1 63 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [0,0,0,0,0,0|1,1,0]=2 64 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [0,0,0,0,0,0|1,1,0]=2 67 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [0,0,0,0,0,0|1,0,0]=1 68 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [0,0,0,0,0,0|1,1,0]=2 69 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [0,0,0,0,0,0|1,1,0]=2 70 B10R1.4 c1ccc(c(c1)CON)F TS93890 [0,0,0,0,0,0|1,1,0]=2 71 B10R1.4 c1ccc(c(c1)CON)I TS94168 [0,0,0,0,0,0|1,1,0]=2 72 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [0,0,0,0,0,0|1,1,1]=3 73 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [0,0,0,0,0,0|1,0,1]=2 74 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [0,0,0,0,0,0|2,1,1]=4 75 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [0,0,0,0,0,0|2,0,1]=3 76 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [0,0,0,0,0,0|2,1,1]=4 77 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [0,0,0,0,0,0|2,1,1]=4 78 B10R1.4 c1ccc(c(c1)N=C=S)Br TS44458 [0,0,0,0,0,0|2,1,1]=4 79 B10R1.4 c1ccc(c(c1)N=C=S)Cl TS12736 [0,0,0,0,0,0|2,0,1]=3 80 B10R1.4 c1ccc(c(c1)N=C=S)F TS41282 [0,0,0,0,0,0|2,1,1]=4 81 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [0,0,0,0,0,0|2,0,1]=3 82 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [0,0,0,0,0,0|3,0,1]=4 83 B10R1.4 c1cnc(c(n1)CC#N)Cl TS85791 [0,0,0,0,0,0|2,0,2]=4 84 B9R1.8 C#CCc1ccccc1 TS32230 [1,0,0,0,0,0|1,0,1]=3 85 B9R1.8 C=CC[n+]1ccccc1 TS37844 [1,0,0,0,0,0|2,0,1]=4 86 B9R1.8 C=CCc1ccccc1 TS32347 [1,0,0,0,0,0|1,0,1]=3 87 B9R1.8 C=CSc1ccccc1 TS06113 [1,0,0,0,0,0|2,0,1]=4 88 B9R1.8 CC#Cc1ccccc1 TS04599 [1,0,0,0,0,0|1,0,2]=4 89 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,0|1,0,2]=4 90 B9R1.8 CCC[n+]1ccccc1 TS38202 [1,0,0,0,0,0|2,0,0]=3 91 B9R1.8 CCCc1ccccc1 TS04832 [1,0,0,0,0,0|1,0,0]=2 92 B9R1.8 CCCc1ccccn1 TS85359 [1,0,0,0,0,0|2,0,0]=3 93 B9R1.8 CCCc1cnccn1 TS59984 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.8 CCNc1ccccc1 TS04869 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 CCOc1ccccc1 TS04896 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.8 CCOc1ccccn1 TS55309 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.8 CCOc1ccncc1 TS04974 [1,0,0,0,0,0|3,0,0]=4 98 B9R1.8 CCSc1ccccc1 TS06299 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.8 CNCc1ccccc1 TS01938 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.8 CNCc1ccccn1 TS51966 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.8 CNCc1cccnc1 TS02609 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.8 CNCc1ccncc1 TS65238 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.8 CNNc1ccccc1 TS85406 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.8 CSCc1ccccc1 TS06309 [1,0,0,0,0,0|2,0,0]=3 107 B9R1.8 CSSc1ccccc1 TS41708 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [1,0,0,0,0,0|1,0,2]=4 110 B9R1.8 c1c(cncn1)CNN TS87915 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.8 c1cc(cnc1)CC#N TS04724 [1,0,0,0,0,0|1,0,2]=4 112 B9R1.8 c1cc(cnc1)CCN TS41995 [1,0,0,0,0,0|1,0,0]=2 113 B9R1.8 c1cc(cnc1)CCN TS65667 [1,0,0,0,0,0|1,0,0]=2 114 B9R1.8 c1cc(cnc1)CCO TS39614 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.8 c1cc(cnc1)CNN TS87066 [1,0,0,0,0,0|2,0,0]=3 116 B9R1.8 c1cc(nnc1)CNN TS92328 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [1,0,0,0,0,0|1,0,2]=4 118 B9R1.8 c1ccc(cc1)C#CBr TS48021 [1,0,0,0,0,0|1,0,2]=4 119 B9R1.8 c1ccc(cc1)C=CBr TS48378 [1,0,0,0,0,0|1,0,2]=4 120 B9R1.8 c1ccc(cc1)C=CCl TS37253 [1,0,0,0,0,0|1,0,2]=4 121 B9R1.8 c1ccc(cc1)C=CN TS55760 [1,0,0,0,0,0|0,0,2]=3 122 B9R1.8 c1ccc(cc1)C=N#N TS04720 [1,0,0,0,0,0|1,0,2]=4 123 B9R1.8 c1ccc(cc1)C=NN TS04817 [1,0,0,0,0,0|1,0,1]=3 124 B9R1.8 c1ccc(cc1)CC#N TS04678 [1,0,0,0,0,0|0,0,2]=3 125 B9R1.8 c1ccc(cc1)CCBr TS15419 [1,0,0,0,0,0|1,0,0]=2 126 B9R1.8 c1ccc(cc1)CCCl TS37454 [1,0,0,0,0,0|1,0,0]=2 127 B9R1.8 c1ccc(cc1)CCI TS25156 [1,0,0,0,0,0|1,0,0]=2 128 B9R1.8 c1ccc(cc1)CCN TS22602 [1,0,0,0,0,0|0,0,0]=1 129 B9R1.8 c1ccc(cc1)CCN TS65627 [1,0,0,0,0,0|0,0,0]=1 130 B9R1.8 c1ccc(cc1)CCO TS04901 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.8 c1ccc(cc1)CCS TS06307 [1,0,0,0,0,0|1,0,0]=2 132 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [1,0,0,0,0,0|1,0,0]=2 133 B9R1.8 c1ccc(cc1)CNN TS09177 [1,0,0,0,0,0|1,0,0]=2 134 B9R1.8 c1ccc(cc1)CNN TS21284 [1,0,0,0,0,0|1,0,0]=2 135 B9R1.8 c1ccc(cc1)CNO TS01934 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.8 c1ccc(cc1)CNO TS93618 [1,0,0,0,0,0|2,0,0]=3 137 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.8 c1ccc(cc1)N=C=O TS32396 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.8 c1ccc(cc1)N=C=S TS06000 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.8 c1ccc(cc1)NC=O TS04863 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.8 c1ccc(cc1)OC#N TS32392 [1,0,0,0,0,0|1,0,2]=4 144 B9R1.8 c1ccc(cc1)OC=O TS32488 [1,0,0,0,0,0|2,0,1]=4 145 B9R1.8 c1ccc(cc1)SCCl TS42004 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [1,0,0,0,0,0|1,0,2]=4 147 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [1,0,0,0,0,0|1,1,0]=3 148 B9R1.8 c1ccnc(c1)CC#N TS04723 [1,0,0,0,0,0|1,0,2]=4 149 B9R1.8 c1ccnc(c1)CCCl TS37532 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.8 c1ccnc(c1)CCN TS04914 [1,0,0,0,0,0|1,0,0]=2 151 B9R1.8 c1ccnc(c1)CCN TS17997 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.8 c1ccnc(c1)CCO TS04967 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.8 c1ccnc(c1)CNN TS87756 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.8 c1cnc(cn1)CCN TS32564 [1,0,0,0,0,0|2,0,0]=3 155 B9R1.8 c1cnc(cn1)CCS TS37406 [1,0,0,0,0,0|3,0,0]=4 156 B9R1.8 c1cnc(cn1)CNN TS88060 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.8 c1cnc(nc1)CNN TS88342 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.8 c1cnccc1CCN TS09522 [1,0,0,0,0,0|1,0,0]=2 159 B9R1.8 c1cnccc1CCO TS70737 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.8 c1cnccc1CCS TS06395 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.8 c1cnccc1CCS TS46022 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.8 c1cnccc1CNN TS85585 [1,0,0,0,0,0|2,0,0]=3 163 B9R1.8 c1cncnc1CCN TS86707 [1,0,0,0,0,0|2,0,0]=3 164 B9R1.8 c1cnncc1CNN TS91906 [1,0,0,0,0,0|3,0,0]=4 165 B9R1.15 C#Cc1ccccc1Br TS48023 [1,0,0,0,0,0|0,1,2]=4 166 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,0,0,0,0,0|0,0,2]=3 167 B9R1.15 C#Cc1ccccc1F TS77181 [1,0,0,0,0,0|0,1,2]=4 168 B9R1.15 C#Cc1ccccc1O TS55318 [1,0,0,0,0,0|1,0,2]=4 169 B9R1.15 C=Cc1ccccc1Br TS55173 [1,0,0,0,0,0|0,1,2]=4 170 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,0,0,0,0,0|0,0,2]=3 171 B9R1.15 C=Cc1ccccc1F TS32504 [1,0,0,0,0,0|0,1,2]=4 172 B9R1.15 C=Cc1ccccc1I TS24807 [1,0,0,0,0,0|0,1,2]=4 173 B9R1.15 CC[n+]1ccccc1Br TS33546 [1,0,0,0,0,0|1,1,0]=3 174 B9R1.15 CCc1c(cncn1)F TS71104 [1,0,0,0,0,0|2,1,0]=4 175 B9R1.15 CCc1c(nccn1)C TS04922 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [1,0,0,0,0,0|2,0,0]=3 177 B9R1.15 CCc1ccccc1Br TS15420 [1,0,0,0,0,0|0,1,0]=2 178 B9R1.15 CCc1ccccc1C TS16337 [1,0,0,0,0,0|1,0,0]=2 179 B9R1.15 CCc1ccccc1Cl TS37450 [1,0,0,0,0,0|0,0,0]=1 180 B9R1.15 CCc1ccccc1I TS25157 [1,0,0,0,0,0|0,1,0]=2 181 B9R1.15 CCc1ccccc1N TS32474 [1,0,0,0,0,0|1,0,0]=2 182 B9R1.15 CCc1ccccc1O TS04900 [1,0,0,0,0,0|1,0,0]=2 183 B9R1.15 CCc1ccccc1S TS06304 [1,0,0,0,0,0|1,0,0]=2 184 B9R1.15 CCc1cccnc1C TS32475 [1,0,0,0,0,0|2,0,0]=3 185 B9R1.15 CCc1ccncc1C TS32464 [1,0,0,0,0,0|2,0,0]=3 186 B9R1.15 CCc1cnccc1Br TS92322 [1,0,0,0,0,0|1,1,0]=3 187 B9R1.15 CCc1cnccc1C TS32480 [1,0,0,0,0,0|2,0,0]=3 188 B9R1.15 CCc1cncnc1Cl TS71037 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.15 CCc1cncnc1O TS05018 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 CNc1c(cccn1)Br TS49024 [1,0,0,0,0,0|2,1,0]=4 191 B9R1.15 CNc1c(cccn1)Cl TS44725 [1,0,0,0,0,0|2,0,0]=3 192 B9R1.15 CNc1ccccc1Cl TS37531 [1,0,0,0,0,0|1,0,0]=2 193 B9R1.15 CNc1ccccc1F TS56413 [1,0,0,0,0,0|1,1,0]=3 194 B9R1.15 CNc1ccccc1N TS01587 [1,0,0,0,0,0|2,0,0]=3 195 B9R1.15 CNc1ccccc1N TS41998 [1,0,0,0,0,0|2,0,0]=3 196 B9R1.15 CNc1ccccc1N TS60152 [1,0,0,0,0,0|2,0,0]=3 197 B9R1.15 CNc1ccccc1O TS04968 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.15 CNc1cccnc1Br TS49018 [1,0,0,0,0,0|2,1,0]=4 199 B9R1.15 CNc1cccnc1Cl TS06799 [1,0,0,0,0,0|2,0,0]=3 200 B9R1.15 CNc1cccnc1Cl TS46508 [1,0,0,0,0,0|2,0,0]=3 201 B9R1.15 CNc1ccncc1N TS32563 [1,0,0,0,0,0|3,0,0]=4 202 B9R1.15 COc1c(cccn1)Br TS65905 [1,0,0,0,0,0|2,1,0]=4 203 B9R1.15 COc1c(cccn1)Cl TS65976 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.15 COc1c(cccn1)F TS36212 [1,0,0,0,0,0|2,1,0]=4 205 B9R1.15 COc1c(cccn1)I TS02808 [1,0,0,0,0,0|2,1,0]=4 206 B9R1.15 COc1c(cccn1)N TS02635 [1,0,0,0,0,0|3,0,0]=4 207 B9R1.15 COc1c(nccn1)Cl TS55197 [1,0,0,0,0,0|3,0,0]=4 208 B9R1.15 COc1ccccc1Br TS00023 [1,0,0,0,0,0|1,1,0]=3 209 B9R1.15 COc1ccccc1Cl TS37688 [1,0,0,0,0,0|1,0,0]=2 210 B9R1.15 COc1ccccc1F TS60288 [1,0,0,0,0,0|1,1,0]=3 211 B9R1.15 COc1ccccc1I TS09308 [1,0,0,0,0,0|1,1,0]=3 212 B9R1.15 COc1ccccc1N TS29238 [1,0,0,0,0,0|2,0,0]=3 213 B9R1.15 COc1ccccc1N TS59329 [1,0,0,0,0,0|2,0,0]=3 214 B9R1.15 COc1ccccc1P TS06425 [1,0,0,0,0,0|2,0,0]=3 215 B9R1.15 COc1ccccc1S TS37393 [1,0,0,0,0,0|2,0,0]=3 216 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,0,0,0,0,0|2,0,0]=3 217 B9R1.15 COc1cccnc1Br TS08305 [1,0,0,0,0,0|2,1,0]=4 218 B9R1.15 COc1cccnc1Cl TS55198 [1,0,0,0,0,0|2,0,0]=3 219 B9R1.15 COc1cccnc1I TS25665 [1,0,0,0,0,0|2,1,0]=4 220 B9R1.15 COc1cccnc1N TS47373 [1,0,0,0,0,0|3,0,0]=4 221 B9R1.15 COc1cccnc1O TS55383 [1,0,0,0,0,0|3,0,0]=4 222 B9R1.15 COc1ccncc1Br TS09454 [1,0,0,0,0,0|2,1,0]=4 223 B9R1.15 COc1ccncc1I TS02810 [1,0,0,0,0,0|2,1,0]=4 224 B9R1.15 COc1ccncc1N TS65861 [1,0,0,0,0,0|3,0,0]=4 225 B9R1.15 CSc1ccccc1Br TS19526 [1,0,0,0,0,0|1,1,0]=3 226 B9R1.15 CSc1ccccc1Cl TS42002 [1,0,0,0,0,0|1,0,0]=2 227 B9R1.15 CSc1ccccc1F TS06689 [1,0,0,0,0,0|1,1,0]=3 228 B9R1.15 CSc1ccccc1I TS27990 [1,0,0,0,0,0|1,1,0]=3 229 B9R1.15 CSc1ccccc1O TS37395 [1,0,0,0,0,0|2,0,0]=3 230 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,0,0,0,0,0|2,0,0]=3 231 B9R1.15 Cc1c(cccn1)CBr TS87803 [1,0,0,0,0,0|3,0,0]=4 232 B9R1.15 Cc1c(cccn1)CCl TS90028 [1,0,0,0,0,0|3,0,0]=4 233 B9R1.15 Cc1c(cccn1)CN TS32520 [1,0,0,0,0,0|2,0,0]=3 234 B9R1.15 Cc1c(cccn1)CO TS04969 [1,0,0,0,0,0|3,0,0]=4 235 B9R1.15 Cc1c(cccn1)OC TS04964 [1,0,0,0,0,0|3,0,0]=4 236 B9R1.15 Cc1c(nccn1)CN TS92714 [1,0,0,0,0,0|3,0,0]=4 237 B9R1.15 Cc1ccccc1C#C TS02442 [1,0,0,0,0,0|1,0,2]=4 238 B9R1.15 Cc1ccccc1C#N TS04680 [1,0,0,0,0,0|1,0,2]=4 239 B9R1.15 Cc1ccccc1C=C TS02453 [1,0,0,0,0,0|1,0,2]=4 240 B9R1.15 Cc1ccccc1C=O TS04808 [1,0,0,0,0,0|2,0,1]=4 241 B9R1.15 Cc1ccccc1CBr TS01133 [1,0,0,0,0,0|2,0,0]=3 242 B9R1.15 Cc1ccccc1CCl TS37456 [1,0,0,0,0,0|2,0,0]=3 243 B9R1.15 Cc1ccccc1CN TS04867 [1,0,0,0,0,0|1,0,0]=2 244 B9R1.15 Cc1ccccc1CO TS04907 [1,0,0,0,0,0|2,0,0]=3 245 B9R1.15 Cc1ccccc1CS TS06308 [1,0,0,0,0,0|2,0,0]=3 246 B9R1.15 Cc1ccccc1NC TS32471 [1,0,0,0,0,0|2,0,0]=3 247 B9R1.15 Cc1ccccc1NN TS60156 [1,0,0,0,0,0|2,0,0]=3 248 B9R1.15 Cc1ccccc1OC TS32508 [1,0,0,0,0,0|2,0,0]=3 249 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,0,0,0,0,0|3,0,0]=4 250 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,0,0,0,0,0|3,0,0]=4 251 B9R1.15 Cc1cccnc1CCl TS91176 [1,0,0,0,0,0|3,0,0]=4 252 B9R1.15 Cc1cccnc1CN TS32513 [1,0,0,0,0,0|2,0,0]=3 253 B9R1.15 Cc1cccnc1CO TS04977 [1,0,0,0,0,0|3,0,0]=4 254 B9R1.15 Cc1cccnc1OC TS04965 [1,0,0,0,0,0|3,0,0]=4 255 B9R1.15 Cc1ccncc1CCl TS88594 [1,0,0,0,0,0|3,0,0]=4 256 B9R1.15 Cc1ccncc1CN TS04915 [1,0,0,0,0,0|2,0,0]=3 257 B9R1.15 Cc1ccncc1CO TS04980 [1,0,0,0,0,0|3,0,0]=4 258 B9R1.15 Cc1ccncc1NC TS04920 [1,0,0,0,0,0|3,0,0]=4 259 B9R1.15 Cc1ccnnc1CN TS92264 [1,0,0,0,0,0|3,0,0]=4 260 B9R1.15 Cc1cnccc1CCl TS89010 [1,0,0,0,0,0|3,0,0]=4 261 B9R1.15 Cc1cnccc1CN TS32519 [1,0,0,0,0,0|2,0,0]=3 262 B9R1.15 Cc1cnccc1CO TS91100 [1,0,0,0,0,0|3,0,0]=4 263 B9R1.15 Cc1cnncc1CN TS92054 [1,0,0,0,0,0|3,0,0]=4 264 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,0,0,0,0,0|1,1,1]=4 265 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,0,0,0,0,0|1,0,1]=3 266 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [1,0,0,0,0,0|2,1,0]=4 267 B9R1.15 c1cc(c(nc1)C#N)Cl TS65964 [1,0,0,0,0,0|1,0,2]=4 268 B9R1.15 c1cc(c(nc1)C=O)Cl TS85387 [1,0,0,0,0,0|2,0,1]=4 269 B9R1.15 c1cc(c(nc1)CBr)F TS85731 [1,0,0,0,0,0|2,1,0]=4 270 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [1,0,0,0,0,0|3,0,0]=4 271 B9R1.15 c1cc(c(nc1)CCl)F TS86737 [1,0,0,0,0,0|2,1,0]=4 272 B9R1.15 c1cc(c(nc1)CN)F TS86282 [1,0,0,0,0,0|1,1,0]=3 273 B9R1.15 c1cc(c(nc1)CO)F TS88540 [1,0,0,0,0,0|2,1,0]=4 274 B9R1.15 c1cc(c(nc1)CO)N TS05011 [1,0,0,0,0,0|3,0,0]=4 275 B9R1.15 c1cc(c(nc1)CO)O TS55400 [1,0,0,0,0,0|3,0,0]=4 276 B9R1.15 c1cc(c(nc1)CO)O TS70604 [1,0,0,0,0,0|3,0,0]=4 277 B9R1.15 c1cc(c(nc1)Cl)C#N TS55285 [1,0,0,0,0,0|1,0,2]=4 278 B9R1.15 c1cc(c(nc1)Cl)C=O TS55210 [1,0,0,0,0,0|2,0,1]=4 279 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [1,0,0,0,0,0|2,0,0]=3 280 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [1,0,0,0,0,0|2,0,0]=3 281 B9R1.15 c1cc(c(nc1)F)CN TS08409 [1,0,0,0,0,0|1,1,0]=3 282 B9R1.15 c1cc(c(nc1)F)CO TS55320 [1,0,0,0,0,0|2,1,0]=4 283 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [1,0,0,0,0,0|3,0,0]=4 284 B9R1.15 c1cc(c(nc1)N)CO TS47364 [1,0,0,0,0,0|3,0,0]=4 285 B9R1.15 c1cc(c(nc1)NN)Cl TS60341 [1,0,0,0,0,0|2,0,0]=3 286 B9R1.15 c1cc(c(nc1)O)CN TS42244 [1,0,0,0,0,0|2,0,0]=3 287 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,0,0,0,0,0|0,1,2]=4 288 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,0,0,0,0,0|0,0,2]=3 289 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,0,0,0,0,0|0,1,2]=4 290 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,0,0,0,0,0|0,1,2]=4 291 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,0,0,0,0,0|1,0,2]=4 292 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,0,0,0,0,0|1,0,2]=4 293 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,0,0,0,0,0|1,0,2]=4 294 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,0,0,0,0,0|1,1,1]=4 295 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,0,0,0,0,0|1,0,1]=3 296 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,0,0,0,0,0|1,1,1]=4 297 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,0,0,0,0,0|1,1,1]=4 298 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,0,0,0,0,0|2,0,1]=4 299 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,0,0,0,0,0|2,0,1]=4 300 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,0,0,0,0,0|2,0,1]=4 301 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,0,0,0,0,0|1,1,0]=3 302 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,0,0,0,0,0|1,0,0]=2 303 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,0,0,0,0,0|1,1,0]=3 304 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,0,0,0,0,0|1,1,0]=3 305 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,0,0,0,0,0|2,0,0]=3 306 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,0,0,0,0,0|1,1,0]=3 307 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,0,0,0,0,0|1,0,0]=2 308 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,0,0,0,0,0|1,1,0]=3 309 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,0,0,0,0,0|0,1,0]=2 310 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,0,0,0,0,0|0,1,0]=2 311 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,0,0,0,0,0|0,0,0]=1 312 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,0,0,0,0,0|0,1,0]=2 313 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,0,0,0,0,0|0,1,0]=2 314 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,0,0,0,0,0|1,0,0]=2 315 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,0,0,0,0,0|1,0,0]=2 316 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,0,0,0,0,0|1,1,0]=3 317 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,0,0,0,0,0|1,0,0]=2 318 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,0,0,0,0,0|1,1,0]=3 319 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,0,0,0,0,0|1,1,0]=3 320 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,0,0,0,0,0|2,0,0]=3 321 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,0,0,0,0,0|2,0,0]=3 322 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,0,0,0,0,0|2,0,0]=3 323 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,0,0,0,0,0|1,1,0]=3 324 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,0,0,0,0,0|1,0,0]=2 325 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,0,0,0,0,0|1,1,0]=3 326 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,0,0,0,0,0|1,1,0]=3 327 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,0,0,0,0,0|1,1,0]=3 328 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,0,0,0,0,0|1,1,0]=3 329 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,0,0,0,0,0|1,1,0]=3 330 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,0,0,0,0,0|3,0,0]=4 331 B9R1.15 c1cn[nH]c(=O)c1CN TS85858 [1,0,0,0,0,0|3,0,0]=4 332 B9R1.15 c1cnc(c(n1)CCl)Cl TS88674 [1,0,0,0,0,0|3,0,0]=4 333 B9R1.15 c1cnc(c(n1)CN)Cl TS49175 [1,0,0,0,0,0|2,0,0]=3 334 B9R1.15 c1cnc(c(n1)CN)Cl TS86197 [1,0,0,0,0,0|2,0,0]=3 335 B9R1.15 c1cnc(c(n1)CO)Cl TS64972 [1,0,0,0,0,0|3,0,0]=4 336 B9R1.15 c1cnc(c(n1)NN)Cl TS87006 [1,0,0,0,0,0|3,0,0]=4 337 B9R1.15 c1cncc(c1C=O)Cl TS02716 [1,0,0,0,0,0|2,0,1]=4 338 B9R1.15 c1cncc(c1CO)Br TS87802 [1,0,0,0,0,0|2,1,0]=4 339 B9R1.15 c1cncc(c1CO)F TS90447 [1,0,0,0,0,0|2,1,0]=4 340 B9R1.15 c1cncc(c1CO)N TS05021 [1,0,0,0,0,0|3,0,0]=4 341 B9R1.15 c1cncc(c1CO)O TS05089 [1,0,0,0,0,0|3,0,0]=4 342 B9R1.15 c1cncc(c1Cl)C#N TS71034 [1,0,0,0,0,0|1,0,2]=4 343 B9R1.15 c1cncc(c1Cl)C=O TS09675 [1,0,0,0,0,0|2,0,1]=4 344 B9R1.15 c1cncc(c1Cl)CO TS08032 [1,0,0,0,0,0|2,0,0]=3 345 B9R1.15 c1cncc(c1N)CN TS09431 [1,0,0,0,0,0|2,0,0]=3 346 B9R1.15 c1cncc(c1N)CO TS32608 [1,0,0,0,0,0|3,0,0]=4 347 B11R1.13 C=CCc1cccc(c1O)Cl TS44953 [0,1,0,0,0,0|2,0,1]=4 348 B11R1.13 CCNc1cccc(c1C)C TS40772 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.13 CCNc1cccc(c1Cl)Cl TS51011 [0,1,0,0,0,0|2,0,0]=3 350 B11R1.13 CCOc1cccc(c1F)F TS59507 [0,1,0,0,0,0|2,1,0]=4 351 B11R1.13 Cc1cccc(c1C)CC#N TS07113 [0,1,0,0,0,0|1,0,2]=4 352 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.13 c1cc(c(c(c1)Cl)Cl)C=NO TS16279 [0,1,0,0,0,0|2,0,1]=4 354 B11R1.13 c1cc(c(c(c1)Cl)Cl)CC#N TS48825 [0,1,0,0,0,0|0,0,2]=3 355 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51010 [0,1,0,0,0,0|0,0,0]=1 356 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51019 [0,1,0,0,0,0|0,0,0]=1 357 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO TS17227 [0,1,0,0,0,0|1,0,0]=2 358 B11R1.13 c1cc(c(c(c1)Cl)Cl)N=C=O TS15896 [0,1,0,0,0,0|2,0,1]=4 359 B11R1.13 c1cc(c(c(c1)Cl)F)CC#N TS65487 [0,1,0,0,0,0|0,1,2]=4 360 B11R1.13 c1cc(c(c(c1)F)F)CC#N TS02341 [0,1,0,0,0,0|0,1,2]=4 361 B11R1.13 c1cc(c(c(c1)F)F)CCO TS10940 [0,1,0,0,0,0|1,1,0]=3 362 B11R1.17 C=CCCc1ccccc1Br TS43954 [0,1,0,0,0,0|1,1,0]=3 363 B11R1.17 C=CCOc1ccccc1Cl TS44954 [0,1,0,0,0,0|1,0,1]=3 364 B11R1.17 C=CCOc1ccccc1O TS09860 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.17 CCCCc1ccccc1N TS07609 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.17 CNCCc1ccccc1F TS10332 [0,1,0,0,0,0|0,1,0]=2 367 B11R1.17 Cc1ccccc1CN=C=O TS07341 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.17 Cc1ccccc1CN=C=S TS11741 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.17 Cc1ccccc1NCCO TS41044 [0,1,0,0,0,0|2,0,0]=3 370 B11R1.17 Cc1ccccc1OCCBr TS08141 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.17 [C-]#[N+]CCc1ccccc1F TS07565 [0,1,0,0,0,0|0,1,1]=3 372 B11R1.17 c1ccc(c(c1)C#CCO)Br TS21059 [0,1,0,0,0,0|1,1,1]=4 373 B11R1.17 c1ccc(c(c1)C#CCO)Cl TS12313 [0,1,0,0,0,0|1,0,1]=3 374 B11R1.17 c1ccc(c(c1)C=CC=O)Cl TS12303 [0,1,0,0,0,0|1,0,2]=4 375 B11R1.17 c1ccc(c(c1)CCC#N)Cl TS12105 [0,1,0,0,0,0|0,0,1]=2 376 B11R1.17 c1ccc(c(c1)CCCN)N TS09947 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [0,1,0,0,0,0|1,0,0]=2 378 B11R1.17 c1ccc(c(c1)CCCO)Br TS21829 [0,1,0,0,0,0|1,1,0]=3 379 B11R1.17 c1ccc(c(c1)CN=C=O)F TS40975 [0,1,0,0,0,0|1,1,1]=4 380 B11R1.17 c1ccc(c(c1)CN=C=S)Cl TS15202 [0,1,0,0,0,0|1,0,1]=3 381 B11R1.17 c1ccc(c(c1)CN=C=S)F TS12394 [0,1,0,0,0,0|1,1,1]=4 382 B11R1.17 c1ccc(c(c1)N)NCCN TS10085 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.17 c1ccc(c(c1)N)NCCO TS16091 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.17 c1ccc(c(c1)O)OCCO TS08221 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.17 c1ccc(c(c1)OCC#N)Cl TS43278 [0,1,0,0,0,0|0,0,2]=3 386 B11R1.17 c1ccc(c(c1)OCCBr)Br TS54290 [0,1,0,0,0,0|1,1,0]=3 387 B11R1.17 c1ccc(c(c1)OCCBr)Cl TS25797 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.17 c1ccc(c(c1)OCCBr)F TS22535 [0,1,0,0,0,0|1,1,0]=3 389 B11R1.17 c1ccc(c(c1)OCCCl)Br TS25794 [0,1,0,0,0,0|1,1,0]=3 390 B11R1.17 c1ccc(c(c1)OCCN)Cl TS45380 [0,1,0,0,0,0|0,0,0]=1 391 B11R1.17 c1ccc(c(c1)OCCO)Cl TS45566 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.17 c1ccc(c(c1)SCCO)Br TS25354 [0,1,0,0,0,0|1,1,0]=3 393 B11R1.17 c1cnc(c(n1)NCCO)Cl TS13417 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.41 C=CCc1ccccc1CO TS07463 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.41 CCOc1ccccc1C#N TS65044 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.41 CCOc1ccccc1C=O TS40864 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.41 CCOc1ccccc1CN TS41033 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.41 CCOc1ccccc1CO TS10180 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.41 CCOc1ccccc1C[Zn+] TS25823 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.41 CCOc1ccccc1OC TS41144 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.41 CNCc1ccccc1OC TS10080 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.41 COc1ccccc1CC#N TS07347 [0,1,0,0,0,0|1,0,2]=4 403 B11R1.41 COc1ccccc1CC=C TS07469 [0,1,0,0,0,0|2,0,1]=4 404 B11R1.41 COc1ccccc1CCN TS41034 [0,1,0,0,0,0|1,0,0]=2 405 B11R1.41 COc1ccccc1CCO TS10185 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.41 COc1ccccc1CNN TS52128 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.41 COc1ccccc1CNN TS91568 [0,1,0,0,0,0|2,0,0]=3 408 B11R1.41 COc1ccccc1CO[NH3+] TS16256 [0,1,0,0,0,0|2,0,1]=4 409 B11R1.41 c1ccc(c(c1)CC#N)C#N TS37568 [0,1,0,0,0,0|1,0,2]=4 410 B11R1.41 c1ccc(c(c1)CCBr)C=O TS16659 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.41 c1ccc(c(c1)CCl)N=C=O TS12433 [0,1,0,0,0,0|2,0,1]=4 412 B11R1.81 CCCc1ccc(cc1O)O TS41141 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.81 CCNc1ccc(cc1Cl)Cl TS51023 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.81 CCNc1ccc(cc1N)Cl TS12938 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.81 CCOc1ccc(cc1Cl)Cl TS51227 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.81 CCOc1ccc(cc1Cl)F TS13586 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.81 CCOc1ccc(cc1F)Cl TS13602 [0,1,0,0,0,0|2,1,0]=4 418 B11R1.81 CCOc1ccc(cc1N)N TS62845 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.81 Cc1cc(ccc1CCO)F TS41382 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [0,1,0,0,0,0|1,0,2]=4 421 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [0,1,0,0,0,0|1,0,0]=2 422 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.81 Cc1ccc(c(c1)Cl)N=C=S TS15200 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.81 Cc1ccc(c(c1)F)CC#N TS09298 [0,1,0,0,0,0|0,1,2]=4 425 B11R1.81 [C-]#[N+]Cc1ccc(cc1F)Br TS21594 [0,1,0,0,0,0|2,1,0]=4 426 B11R1.81 c1cc(c(cc1Br)Cl)N=C=S TS39739 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.81 c1cc(c(cc1Br)F)CC#N TS16942 [0,1,0,0,0,0|0,1,2]=4 428 B11R1.81 c1cc(c(cc1Cl)Cl)C=NO TS16282 [0,1,0,0,0,0|2,0,1]=4 429 B11R1.81 c1cc(c(cc1Cl)Cl)CC#N TS48827 [0,1,0,0,0,0|0,0,2]=3 430 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS07994 [0,1,0,0,0,0|0,0,0]=1 431 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51015 [0,1,0,0,0,0|0,0,0]=1 432 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51021 [0,1,0,0,0,0|0,0,0]=1 433 B11R1.81 c1cc(c(cc1Cl)Cl)CCO TS47216 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.81 c1cc(c(cc1Cl)Cl)CNN TS86264 [0,1,0,0,0,0|1,0,0]=2 435 B11R1.81 c1cc(c(cc1Cl)Cl)CON TS24614 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.81 c1cc(c(cc1Cl)Cl)N=C=O TS15897 [0,1,0,0,0,0|2,0,1]=4 437 B11R1.81 c1cc(c(cc1Cl)Cl)N=C=S TS38529 [0,1,0,0,0,0|2,0,1]=4 438 B11R1.81 c1cc(c(cc1Cl)F)CC#N TS03041 [0,1,0,0,0,0|0,1,2]=4 439 B11R1.81 c1cc(c(cc1F)Cl)CC#N TS02688 [0,1,0,0,0,0|0,0,2]=3 440 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [0,1,0,0,0,0|1,0,1]=3 441 B11R1.81 c1cc(c(cc1F)Cl)CCO TS13593 [0,1,0,0,0,0|1,0,0]=2 442 B11R1.81 c1cc(c(cc1F)Cl)CNN TS87366 [0,1,0,0,0,0|1,0,0]=2 443 B11R1.81 c1cc(c(cc1F)Cl)CON TS93678 [0,1,0,0,0,0|1,0,0]=2 444 B11R1.81 c1cc(c(cc1F)F)CC#N TS00633 [0,1,0,0,0,0|0,1,2]=4 445 B11R1.81 c1cc(c(cc1F)F)CCN TS41757 [0,1,0,0,0,0|0,1,0]=2 446 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,1,0,0,0,0|1,1,1]=4 447 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,1,0,0,0,0|1,0,1]=3 448 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,1,0,0,0,0|1,1,1]=4 449 B11R1.86 CC(=O)Nc1ccccc1Cl TS12723 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.86 CC(=O)Oc1ccccc1Cl TS12917 [0,1,0,0,0,0|2,0,1]=4 451 B11R1.86 CC(C)Cc1ccccc1O TS40918 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [0,1,0,0,0,0|2,1,0]=4 453 B11R1.86 CC(C)Oc1ccccc1O TS10184 [0,1,0,0,0,0|3,0,0]=4 454 B11R1.86 CN(C)Cc1ccccc1Br TS21621 [0,1,0,0,0,0|2,1,0]=4 455 B11R1.86 CN(C)Cc1ccccc1N TS09933 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,1,0,0,0,0|2,0,1]=4 457 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [0,1,0,0,0,0|2,0,1]=4 458 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.86 Cc1ccccc1NC(=N)N TS07578 [0,1,0,0,0,0|2,0,1]=4 460 B11R1.86 Cc1ccccc1NC(=N)N TS15535 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.86 Cc1ccccc1NC(=S)N TS12284 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.86 Cc1ccccc1OC(F)F TS10937 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.86 c1cc(c(nc1)CC(=O)O)Cl TS13072 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O TS85678 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [0,1,0,0,0,0|1,1,1]=4 467 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [0,1,0,0,0,0|0,1,1]=3 468 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [0,1,0,0,0,0|1,1,1]=4 469 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [0,1,0,0,0,0|1,0,1]=3 470 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [0,1,0,0,0,0|1,1,1]=4 471 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [0,1,0,0,0,0|1,1,1]=4 472 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [0,1,0,0,0,0|2,0,1]=4 473 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [0,1,0,0,0,0|2,0,1]=4 474 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,1,0,0,0,0|2,0,1]=4 475 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [0,1,0,0,0,0|2,0,1]=4 476 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl TS15541 [0,1,0,0,0,0|0,0,1]=2 477 B11R1.86 c1ccc(c(c1)N)OC(F)F TS08942 [0,1,0,0,0,0|3,0,0]=4 478 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS12730 [0,1,0,0,0,0|1,0,1]=3 479 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS20098 [0,1,0,0,0,0|1,0,1]=3 480 B11R1.86 c1ccc(c(c1)NC(=N)N)F TS41263 [0,1,0,0,0,0|1,1,1]=4 481 B11R1.86 c1ccc(c(c1)NC(=O)N)F TS41355 [0,1,0,0,0,0|1,1,1]=4 482 B11R1.86 c1ccc(c(c1)NC(=S)N)Br TS53128 [0,1,0,0,0,0|1,1,1]=4 483 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl TS15736 [0,1,0,0,0,0|1,0,1]=3 484 B11R1.86 c1ccc(c(c1)NC(=S)N)F TS12815 [0,1,0,0,0,0|1,1,1]=4 485 B11R1.86 c1ccc(c(c1)O)OC(F)F TS42114 [0,1,0,0,0,0|3,0,0]=4 486 B11R1.86 c1ccc(c(c1)OC(F)F)Br TS50252 [0,1,0,0,0,0|2,1,0]=4 487 B11R1.182 C=CCc1cc(ccc1O)Cl TS44950 [0,1,0,0,0,0|2,0,1]=4 488 B11R1.182 CCNc1cc(ccc1C)O TS41041 [0,1,0,0,0,0|3,0,0]=4 489 B11R1.182 CCNc1cc(ccc1Cl)Cl TS51022 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [0,1,0,0,0,0|2,1,0]=4 491 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [0,1,0,0,0,0|2,0,0]=3 492 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [0,1,0,0,0,0|2,1,0]=4 493 B11R1.182 CCOc1cc(ccc1N)F TS51362 [0,1,0,0,0,0|3,0,0]=4 494 B11R1.182 CCOc1cc(ccc1O)C TS10189 [0,1,0,0,0,0|3,0,0]=4 495 B11R1.182 CNCc1cc(ccc1Cl)Cl TS33078 [0,1,0,0,0,0|2,0,0]=3 496 B11R1.182 COCc1cc(ccc1Br)F TS22533 [0,1,0,0,0,0|2,1,0]=4 497 B11R1.182 COCc1cc(ccc1F)Br TS22532 [0,1,0,0,0,0|2,1,0]=4 498 B11R1.182 Cc1ccc(c(c1)CC#N)C TS07114 [0,1,0,0,0,0|1,0,2]=4 499 B11R1.182 Cc1ccc(c(c1)CCN)C TS07614 [0,1,0,0,0,0|1,0,0]=2 500 B11R1.182 Cc1ccc(c(c1)CCO)C TS40917 [0,1,0,0,0,0|2,0,0]=3 501 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.182 Cc1ccc(cc1CC#N)F TS40737 [0,1,0,0,0,0|1,0,2]=4 503 B11R1.182 [C-]#[N+]Cc1cc(ccc1F)Br TS21596 [0,1,0,0,0,0|2,1,0]=4 504 B11R1.182 c1cc(c(cc1Cl)CC#N)Cl TS48828 [0,1,0,0,0,0|0,0,2]=3 505 B11R1.182 c1cc(c(cc1Cl)CC#N)F TS60082 [0,1,0,0,0,0|0,1,2]=4 506 B11R1.182 c1cc(c(cc1Cl)CCN)Cl TS51018 [0,1,0,0,0,0|0,0,0]=1 507 B11R1.182 c1cc(c(cc1Cl)CCO)Cl TS51229 [0,1,0,0,0,0|1,0,0]=2 508 B11R1.182 c1cc(c(cc1Cl)N=C=O)Cl TS15899 [0,1,0,0,0,0|2,0,1]=4 509 B11R1.182 c1cc(c(cc1F)CC#N)Br TS21597 [0,1,0,0,0,0|0,1,2]=4 510 B11R1.182 c1cc(c(cc1F)CC#N)Cl TS09286 [0,1,0,0,0,0|0,0,2]=3 511 B11R1.182 c1cc(c(cc1F)CC#N)F TS41234 [0,1,0,0,0,0|0,1,2]=4 512 B11R1.182 c1cc(c(cc1N)CCO)N TS28052 [0,1,0,0,0,0|2,0,0]=3 513 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,1,0,0,0,0|1,1,1]=4 514 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,1,0,0,0,0|2,0,1]=4 515 B11R1.222 CCC(C)c1ccccc1N TS40776 [0,1,0,0,0,0|2,0,0]=3 516 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,1,0,0,0,0|2,0,0]=3 517 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [0,1,0,0,0,0|2,0,1]=4 518 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [0,1,0,0,0,0|2,0,1]=4 519 B11R1.222 c1ccc(c(c1)C(=N)NO)Cl TS45232 [0,1,0,0,0,0|2,0,1]=4 520 B11R1.222 c1ccc(c(c1)C(=O)C#N)Cl TS42962 [0,1,0,0,0,0|0,0,3]=4 521 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,1,0,0,0,0|1,1,1]=4 522 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,1,0,0,0,0|1,0,1]=3 523 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,1,0,0,0,0|1,1,1]=4 524 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,1,0,0,0,0|2,0,1]=4 525 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,1,0,0,0,0|2,0,1]=4 526 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,1,0,0,0,0|0,1,1]=3 527 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [0,1,0,0,0,0|1,1,1]=4 528 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [0,1,0,0,0,0|1,0,1]=3 529 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [0,1,0,0,0,0|1,1,1]=4 530 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [0,1,0,0,0,0|1,1,1]=4 531 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [0,1,0,0,0,0|2,0,1]=4 532 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [0,1,0,0,0,0|2,0,1]=4 533 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [0,1,0,0,0,0|0,1,0]=2 534 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [0,1,0,0,0,0|0,0,0]=1 535 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [0,1,0,0,0,0|0,1,0]=2 536 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [0,1,0,0,0,0|0,1,0]=2 537 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [0,1,0,0,0,0|1,0,0]=2 538 B11R1.605 CCCc1c(cccc1O)O TS41152 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.605 CCNc1c(cccc1Cl)Cl TS51009 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.605 COCc1c(cccc1Cl)Cl TS51226 [0,1,0,0,0,0|2,0,0]=3 541 B11R1.605 Cc1cccc(c1CC#N)C TS40327 [0,1,0,0,0,0|1,0,2]=4 542 B11R1.605 Cc1cccc(c1N=C=O)Cl TS12431 [0,1,0,0,0,0|2,0,1]=4 543 B11R1.605 Cc1cccc(c1N=C=S)Cl TS15196 [0,1,0,0,0,0|2,0,1]=4 544 B11R1.605 c1cc(c(c(c1)Cl)C=NO)Cl TS16276 [0,1,0,0,0,0|2,0,1]=4 545 B11R1.605 c1cc(c(c(c1)Cl)C=NO)F TS13403 [0,1,0,0,0,0|2,0,1]=4 546 B11R1.605 c1cc(c(c(c1)Cl)CC#N)Cl TS34636 [0,1,0,0,0,0|0,0,2]=3 547 B11R1.605 c1cc(c(c(c1)Cl)CC#N)F TS45047 [0,1,0,0,0,0|0,0,2]=3 548 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl TS07995 [0,1,0,0,0,0|0,0,0]=1 549 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl TS51017 [0,1,0,0,0,0|0,0,0]=1 550 B11R1.605 c1cc(c(c(c1)Cl)CCN)F TS13424 [0,1,0,0,0,0|0,0,0]=1 551 B11R1.605 c1cc(c(c(c1)Cl)CCO)Cl TS51230 [0,1,0,0,0,0|1,0,0]=2 552 B11R1.605 c1cc(c(c(c1)Cl)CCO)F TS32915 [0,1,0,0,0,0|1,0,0]=2 553 B11R1.605 c1cc(c(c(c1)Cl)CON)F TS94245 [0,1,0,0,0,0|1,0,0]=2 554 B11R1.605 c1cc(c(c(c1)Cl)N=C=O)Cl TS15893 [0,1,0,0,0,0|2,0,1]=4 555 B11R1.605 c1cc(c(c(c1)F)CC#N)F TS59552 [0,1,0,0,0,0|0,1,2]=4 556 B11R1.605 c1cc(c(c(c1)F)CCN)F TS10829 [0,1,0,0,0,0|0,1,0]=2 557 B11R1.605 c1cc(c(c(c1)F)CCO)F TS10936 [0,1,0,0,0,0|1,1,0]=3 558 B11R1.605 c1nc(c(c(n1)Cl)CCO)Cl TS94347 [0,1,0,0,0,0|3,0,0]=4 559 B9R0.15 CCCC(=CC=C)C(=O)O TS06475 [0,0,1,0,0,0|3,0,0]=4 560 B9R0.45 CCCCC=CC=CC=O TS37223 [0,0,1,0,0,0|2,0,1]=4 561 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,0,0,1,0,0|2,0,1]=4 562 B11R2.10 CC1Cc2ccccc2N1 TS05844 [0,0,0,1,0,0|2,0,0]=3 563 B11R2.10 CC1Cc2ccccc2O1 TS36849 [0,0,0,1,0,0|2,0,0]=3 564 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [0,0,0,1,0,0|2,0,1]=4 565 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,0,0,1,0,0|2,0,1]=4 566 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,0,0,1,0,0|2,0,1]=4 567 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [0,0,0,1,0,0|2,0,1]=4 568 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [0,0,0,1,0,0|2,0,0]=3 569 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [0,0,0,1,0,0|2,0,0]=3 570 B11R2.10 c1ccc2c(c1)[nH]c(n2)N TS36756 [0,0,0,1,0,0|2,0,1]=4 571 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [0,0,0,1,0,0|1,0,2]=4 572 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [0,0,0,1,0,0|2,0,1]=4 573 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [0,0,0,1,0,0|2,0,1]=4 574 B11R2.10 c1ccc2c(c1)nn(n2)N TS05888 [0,0,0,1,0,0|3,0,0]=4 575 B11R2.20 c1c2c(ncn1)CCNC2 TS86287 [0,0,0,1,0,0|3,0,0]=4 576 B11R2.20 c1c2c(ncn1)CNCC2 TS91830 [0,0,0,1,0,0|3,0,0]=4 577 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [0,0,0,1,0,0|3,0,0]=4 578 B11R2.20 c1cc2c(nc1)CCCN2 TS05910 [0,0,0,1,0,0|3,0,0]=4 579 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [0,0,0,1,0,0|2,0,0]=3 580 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [0,0,0,1,0,0|2,0,0]=3 581 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [0,0,0,1,0,0|2,0,0]=3 582 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [0,0,0,1,0,0|2,0,0]=3 583 B11R2.20 c1cc2c(nc1)NCCC2 TS05909 [0,0,0,1,0,0|3,0,0]=4 584 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [0,0,0,1,0,0|2,0,1]=4 585 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [0,0,0,1,0,0|2,0,0]=3 586 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [0,0,0,1,0,0|2,0,0]=3 587 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [0,0,0,1,0,0|2,0,0]=3 588 B11R2.20 c1ccc2c(c1)CCCN2 TS00337 [0,0,0,1,0,0|2,0,0]=3 589 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [0,0,0,1,0,0|1,0,1]=3 590 B11R2.20 c1ccc2c(c1)CCOC2 TS01923 [0,0,0,1,0,0|2,0,0]=3 591 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [0,0,0,1,0,0|2,0,0]=3 592 B11R2.20 c1ccc2c(c1)NCCN2 TS00343 [0,0,0,1,0,0|3,0,0]=4 593 B11R2.20 c1ccc2c(c1)NCCO2 TS45382 [0,0,0,1,0,0|3,0,0]=4 594 B11R2.20 c1ccc2c(c1)NCCO2 TS81066 [0,0,0,1,0,0|3,0,0]=4 595 B11R2.20 c1ccc2c(c1)OCCO2 TS00382 [0,0,0,1,0,0|3,0,0]=4 596 B11R2.20 c1ccc2c(c1)SCCS2 TS12590 [0,0,0,1,0,0|3,0,0]=4 597 B11R2.20 c1cncc2c1CCCC2 TS16964 [0,0,0,1,0,0|3,0,0]=4 598 B11R2.20 c1cncc2c1CCNC2 TS05913 [0,0,0,1,0,0|2,0,0]=3 599 B11R2.106 Cc1cccc2c1NCC2 TS39800 [0,0,0,1,0,0|3,0,0]=4 600 B11R2.106 Cc1cccc2c1cc[nH]2 TS03171 [0,0,0,1,0,0|1,0,2]=4 601 B11R2.106 Cc1cccc2c1cn[nH]2 TS71225 [0,0,0,1,0,0|2,0,1]=4 602 B11R2.106 c1c[nH]c2c1c(ccn2)Cl TS09669 [0,0,0,1,0,0|1,0,2]=4 603 B11R2.106 c1c[nH]c2c1c(cnc2)Cl TS41213 [0,0,0,1,0,0|1,0,2]=4 604 B11R2.106 c1c[nH]c2c1c(ncc2)Cl TS71014 [0,0,0,1,0,0|1,0,2]=4 605 B11R2.106 c1cc(c2c(c1)NCC2)N TS05908 [0,0,0,1,0,0|1,0,0]=2 606 B11R2.106 c1cc(c2c(c1)OCC2)N TS07697 [0,0,0,1,0,0|2,0,0]=3 607 B11R2.106 c1cc(c2c(c1)OCO2)N TS32755 [0,0,0,1,0,0|3,0,0]=4 608 B11R2.106 c1cc(c2c(c1)[nH]cn2)N TS02784 [0,0,0,1,0,0|2,0,1]=4 609 B11R2.106 c1cc(c2c(c1)[nH]nn2)N TS05882 [0,0,0,1,0,0|3,0,0]=4 610 B11R2.106 c1cc(c2cc[nH]c2c1)N TS02994 [0,0,0,1,0,0|1,0,2]=4 611 B11R2.106 c1cc(c2cn[nH]c2c1)N TS88817 [0,0,0,1,0,0|2,0,1]=4 612 B11R2.106 c1cc2c(c(c1)Br)CCC2 TS89098 [0,0,0,1,0,0|1,1,0]=3 613 B11R2.106 c1cc2c(c(c1)Br)CCN2 TS53950 [0,0,0,1,0,0|0,1,0]=2 614 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS53948 [0,0,0,1,0,0|2,1,0]=4 615 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS56566 [0,0,0,1,0,0|2,1,0]=4 616 B11R2.106 c1cc2c(c(c1)Br)OCO2 TS03032 [0,0,0,1,0,0|2,1,0]=4 617 B11R2.106 c1cc2c(c(c1)Cl)CC=C2 TS09973 [0,0,0,1,0,0|1,0,1]=3 618 B11R2.106 c1cc2c(c(c1)Cl)CCN2 TS09013 [0,0,0,1,0,0|0,0,0]=1 619 B11R2.106 c1cc2c(c(c1)Cl)CCO2 TS10531 [0,0,0,1,0,0|1,0,0]=2 620 B11R2.106 c1cc2c(c(c1)Cl)CNC2 TS51016 [0,0,0,1,0,0|2,0,0]=3 621 B11R2.106 c1cc2c(c(c1)Cl)non2 TS10524 [0,0,0,1,0,0|2,0,1]=4 622 B11R2.106 c1cc2c(c(c1)F)CNC2 TS45698 [0,0,0,1,0,0|2,1,0]=4 623 B11R2.106 c1cc2c(c(c1)I)CCN2 TS62109 [0,0,0,1,0,0|0,1,0]=2 624 B11R2.106 c1cc2c(c(c1)N)CCC2 TS36770 [0,0,0,1,0,0|2,0,0]=3 625 B11R2.106 c1cc2c(c(c1)N)NCC2 TS20315 [0,0,0,1,0,0|3,0,0]=4 626 B11R2.106 c1cc2c(c(c1)O)CC=C2 TS36662 [0,0,0,1,0,0|2,0,1]=4 627 B11R2.106 c1cc2c(c(c1)O)nc[nH]2 TS36807 [0,0,0,1,0,0|2,0,1]=4 628 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 TS05980 [0,0,0,1,0,0|3,0,0]=4 629 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br TS09604 [0,0,0,1,0,0|0,1,2]=4 630 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl TS71069 [0,0,0,1,0,0|0,0,2]=3 631 B11R2.106 c1cc2c(cc[nH]2)c(c1)F TS03092 [0,0,0,1,0,0|0,1,2]=4 632 B11R2.106 c1cc2c(cc[nH]2)c(c1)O TS71173 [0,0,0,1,0,0|1,0,2]=4 633 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br TS09603 [0,0,0,1,0,0|1,1,1]=4 634 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl TS09633 [0,0,0,1,0,0|1,0,1]=3 635 B11R2.106 c1cc2c(cn[nH]2)c(c1)F TS36973 [0,0,0,1,0,0|1,1,1]=4 636 B11R2.106 c1cc2c(cn[nH]2)c(c1)I TS71179 [0,0,0,1,0,0|1,1,1]=4 637 B11R2.106 c1cc2c(cn[nH]2)c(c1)O TS88492 [0,0,0,1,0,0|2,0,1]=4 638 B11R2.106 c1cc2cc[nH]c2c(c1)Cl TS16506 [0,0,0,1,0,0|2,0,1]=4 639 B11R2.106 c1cc2ccsc2c(c1)Cl TS12629 [0,0,0,1,0,0|2,0,1]=4 640 B11R2.106 c1cc2cn[nH]c2c(c1)Cl TS55668 [0,0,0,1,0,0|3,0,0]=4 641 B11R2.106 c1cnc(c2c1NCC2)Cl TS90893 [0,0,0,1,0,0|1,0,0]=2 642 B11R2.106 c1cnc(c2c1[nH]cn2)Cl TS09632 [0,0,0,1,0,0|2,0,1]=4 643 B11R2.106 c1cnc(c2c1[nH]nc2)Cl TS86364 [0,0,0,1,0,0|2,0,1]=4 644 B11R2.106 c1cnc2c(c1Cl)cn[nH]2 TS86744 [0,0,0,1,0,0|2,0,1]=4 645 B11R2.106 c1cnc2c(c1Cl)nc[nH]2 TS92069 [0,0,0,1,0,0|2,0,1]=4 646 B11R2.106 c1nc2c(c(n1)Cl)CCC2 TS41462 [0,0,0,1,0,0|3,0,0]=4 647 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [0,0,0,1,0,0|2,0,0]=3 648 B9R1.33 Cc1c(scn1)CCN TS37631 [0,0,0,0,1,0|3,0,0]=4 649 B9R1.33 Cn1cncc1CCN TS60353 [0,0,0,0,1,0|3,0,0]=4 650 B8R0.4 CCCC=CC=CC=O TS36011 [1,0,1,0,0,0|1,0,1]=4 651 B8R1.2 C#Cc1ccccc1 TS39865 [2,0,0,0,0,0|0,0,2]=4 652 B8R1.2 C=Cc1ccccc1 TS04045 [2,0,0,0,0,0|0,0,2]=4 653 B8R1.2 CCC1=CCC=CC1 TS04142 [2,0,0,0,0,0|0,0,2]=4 654 B8R1.2 CC[n+]1ccccc1 TS40125 [2,0,0,0,0,0|1,0,0]=3 655 B8R1.2 CC[n+]1ccccc1 TS50650 [2,0,0,0,0,0|1,0,0]=3 656 B8R1.2 CCc1ccccc1 TS04102 [2,0,0,0,0,0|0,0,0]=2 657 B8R1.2 CCc1ccccn1 TS55316 [2,0,0,0,0,0|1,0,0]=3 658 B8R1.2 CCc1cccnc1 TS04113 [2,0,0,0,0,0|1,0,0]=3 659 B8R1.2 CCc1ccncc1 TS04110 [2,0,0,0,0,0|1,0,0]=3 660 B8R1.2 CCc1cnccn1 TS31774 [2,0,0,0,0,0|2,0,0]=4 661 B8R1.2 CNc1ccccc1 TS31758 [2,0,0,0,0,0|1,0,0]=3 662 B8R1.2 CNc1ccccc1 TS40129 [2,0,0,0,0,0|1,0,0]=3 663 B8R1.2 CNc1ccccn1 TS22814 [2,0,0,0,0,0|2,0,0]=4 664 B8R1.2 CNc1cccnc1 TS09432 [2,0,0,0,0,0|2,0,0]=4 665 B8R1.2 CNc1ccncc1 TS16891 [2,0,0,0,0,0|2,0,0]=4 666 B8R1.2 COc1ccccc1 TS39801 [2,0,0,0,0,0|1,0,0]=3 667 B8R1.2 COc1ccncc1 TS03163 [2,0,0,0,0,0|2,0,0]=4 668 B8R1.2 CPc1ccccc1 TS32592 [2,0,0,0,0,0|1,0,0]=3 669 B8R1.2 CSc1ccccc1 TS36022 [2,0,0,0,0,0|1,0,0]=3 670 B8R1.2 CSc1ccccn1 TS05101 [2,0,0,0,0,0|2,0,0]=4 671 B8R1.2 CSc1cccnc1 TS05108 [2,0,0,0,0,0|2,0,0]=4 672 B8R1.2 C[NH2+]c1ccccc1 TS49917 [2,0,0,0,0,0|1,0,0]=3 673 B8R1.2 C[SiH2]c1ccccc1 TS04929 [2,0,0,0,0,0|0,1,0]=3 674 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [2,0,0,0,0,0|1,0,1]=4 675 B8R1.2 c1c(cncn1)CN TS55503 [2,0,0,0,0,0|2,0,0]=4 676 B8R1.2 c1cc(cnc1)CBr TS09437 [2,0,0,0,0,0|2,0,0]=4 677 B8R1.2 c1cc(cnc1)CCl TS00113 [2,0,0,0,0,0|2,0,0]=4 678 B8R1.2 c1cc(cnc1)CCl TS02031 [2,0,0,0,0,0|2,0,0]=4 679 B8R1.2 c1cc(cnc1)CI TS49544 [2,0,0,0,0,0|2,0,0]=4 680 B8R1.2 c1cc(cnc1)CI TS64566 [2,0,0,0,0,0|2,0,0]=4 681 B8R1.2 c1cc(cnc1)CN TS02883 [2,0,0,0,0,0|1,0,0]=3 682 B8R1.2 c1cc(cnc1)CO TS92960 [2,0,0,0,0,0|2,0,0]=4 683 B8R1.2 c1cc(cnc1)CO TS93835 [2,0,0,0,0,0|2,0,0]=4 684 B8R1.2 c1cc(cnc1)NN TS87727 [2,0,0,0,0,0|2,0,0]=4 685 B8R1.2 c1cc(nnc1)CN TS90318 [2,0,0,0,0,0|2,0,0]=4 686 B8R1.2 c1ccc(cc1)C#N TS01882 [2,0,0,0,0,0|0,0,2]=4 687 B8R1.2 c1ccc(cc1)C#N TS80489 [2,0,0,0,0,0|0,0,2]=4 688 B8R1.2 c1ccc(cc1)C=O TS43757 [2,0,0,0,0,0|1,0,1]=4 689 B8R1.2 c1ccc(cc1)CCl TS36191 [2,0,0,0,0,0|1,0,0]=3 690 B8R1.2 c1ccc(cc1)CF TS31826 [2,0,0,0,0,0|1,0,0]=3 691 B8R1.2 c1ccc(cc1)CI TS09176 [2,0,0,0,0,0|1,0,0]=3 692 B8R1.2 c1ccc(cc1)CN TS01379 [2,0,0,0,0,0|0,0,0]=2 693 B8R1.2 c1ccc(cc1)CN TS40124 [2,0,0,0,0,0|0,0,0]=2 694 B8R1.2 c1ccc(cc1)CO TS31769 [2,0,0,0,0,0|1,0,0]=3 695 B8R1.2 c1ccc(cc1)CS TS36023 [2,0,0,0,0,0|1,0,0]=3 696 B8R1.2 c1ccc(cc1)I=O TS49692 [2,0,0,0,0,0|2,0,0]=4 697 B8R1.2 c1ccc(cc1)N=O TS31751 [2,0,0,0,0,0|2,0,0]=4 698 B8R1.2 c1ccc(cc1)NN TS07047 [2,0,0,0,0,0|1,0,0]=3 699 B8R1.2 c1ccc(cc1)NN TS31771 [2,0,0,0,0,0|1,0,0]=3 700 B8R1.2 c1ccc(cc1)NN TS61145 [2,0,0,0,0,0|1,0,0]=3 701 B8R1.2 c1ccc(cc1)NN TS76102 [2,0,0,0,0,0|1,0,0]=3 702 B8R1.2 c1ccc(cc1)NO TS31793 [2,0,0,0,0,0|2,0,0]=4 703 B8R1.2 c1ccc(cc1)NO TS37696 [2,0,0,0,0,0|2,0,0]=4 704 B8R1.2 c1ccc(cc1)ON TS07146 [2,0,0,0,0,0|1,0,0]=3 705 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [2,0,0,0,0,0|2,0,0]=4 706 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [2,0,0,0,0,0|2,0,0]=4 707 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [2,0,0,0,0,0|2,0,0]=4 708 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [2,0,0,0,0,0|2,0,0]=4 709 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [2,0,0,0,0,0|2,0,0]=4 710 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [2,0,0,0,0,0|1,0,1]=4 711 B8R1.2 c1ccnc(c1)CBr TS47083 [2,0,0,0,0,0|2,0,0]=4 712 B8R1.2 c1ccnc(c1)CCl TS47089 [2,0,0,0,0,0|2,0,0]=4 713 B8R1.2 c1ccnc(c1)CCl TS47090 [2,0,0,0,0,0|2,0,0]=4 714 B8R1.2 c1ccnc(c1)CN TS00811 [2,0,0,0,0,0|1,0,0]=3 715 B8R1.2 c1ccnc(c1)CO TS07144 [2,0,0,0,0,0|2,0,0]=4 716 B8R1.2 c1ccnc(c1)CO TS31798 [2,0,0,0,0,0|2,0,0]=4 717 B8R1.2 c1ccnc(c1)CS TS05100 [2,0,0,0,0,0|2,0,0]=4 718 B8R1.2 c1ccnc(c1)NN TS14875 [2,0,0,0,0,0|2,0,0]=4 719 B8R1.2 c1ccnc(c1)NN TS55380 [2,0,0,0,0,0|2,0,0]=4 720 B8R1.2 c1cnc(cn1)CN TS01661 [2,0,0,0,0,0|2,0,0]=4 721 B8R1.2 c1cnc(nc1)CN TS02480 [2,0,0,0,0,0|2,0,0]=4 722 B8R1.2 c1cnccc1CBr TS39318 [2,0,0,0,0,0|2,0,0]=4 723 B8R1.2 c1cnccc1CCl TS16903 [2,0,0,0,0,0|2,0,0]=4 724 B8R1.2 c1cnccc1CN TS31773 [2,0,0,0,0,0|1,0,0]=3 725 B8R1.2 c1cnccc1CO TS07149 [2,0,0,0,0,0|2,0,0]=4 726 B8R1.2 c1cnccc1CO TS71297 [2,0,0,0,0,0|2,0,0]=4 727 B8R1.2 c1cnccc1NN TS89841 [2,0,0,0,0,0|2,0,0]=4 728 B8R1.2 c1cncnc1CN TS16892 [2,0,0,0,0,0|2,0,0]=4 729 B8R1.2 c1cncnc1CN TS85609 [2,0,0,0,0,0|2,0,0]=4 730 B8R1.2 c1cnncc1CN TS90837 [2,0,0,0,0,0|2,0,0]=4 731 B8R1.5 C[n+]1ccccc1Cl TS08381 [2,0,0,0,0,0|1,0,0]=3 732 B8R1.5 C[n+]1ccccc1Cl TS20654 [2,0,0,0,0,0|1,0,0]=3 733 B8R1.5 Cc1c(cccn1)Br TS65908 [2,0,0,0,0,0|1,1,0]=4 734 B8R1.5 Cc1c(cccn1)Cl TS65978 [2,0,0,0,0,0|1,0,0]=3 735 B8R1.5 Cc1c(cccn1)F TS70573 [2,0,0,0,0,0|1,1,0]=4 736 B8R1.5 Cc1c(cccn1)I TS02809 [2,0,0,0,0,0|1,1,0]=4 737 B8R1.5 Cc1c(cccn1)N TS31778 [2,0,0,0,0,0|2,0,0]=4 738 B8R1.5 Cc1c(cccn1)O TS87617 [2,0,0,0,0,0|2,0,0]=4 739 B8R1.5 Cc1c(nccn1)Cl TS55202 [2,0,0,0,0,0|2,0,0]=4 740 B8R1.5 Cc1ccc[nH]c1=O TS55401 [2,0,0,0,0,0|2,0,0]=4 741 B8R1.5 Cc1cccc[n+]1C TS25681 [2,0,0,0,0,0|2,0,0]=4 742 B8R1.5 Cc1ccccc1Br TS00024 [2,0,0,0,0,0|0,1,0]=3 743 B8R1.5 Cc1ccccc1C TS04099 [2,0,0,0,0,0|1,0,0]=3 744 B8R1.5 Cc1ccccc1Cl TS36192 [2,0,0,0,0,0|0,0,0]=2 745 B8R1.5 Cc1ccccc1F TS31828 [2,0,0,0,0,0|0,1,0]=3 746 B8R1.5 Cc1ccccc1I TS49343 [2,0,0,0,0,0|0,1,0]=3 747 B8R1.5 Cc1ccccc1N TS40130 [2,0,0,0,0,0|1,0,0]=3 748 B8R1.5 Cc1ccccc1N TS46845 [2,0,0,0,0,0|1,0,0]=3 749 B8R1.5 Cc1ccccc1O TS31768 [2,0,0,0,0,0|1,0,0]=3 750 B8R1.5 Cc1ccccc1S TS05037 [2,0,0,0,0,0|1,0,0]=3 751 B8R1.5 Cc1ccccn1=O TS00106 [2,0,0,0,0,0|2,0,0]=4 752 B8R1.5 Cc1cccnc1Br TS08310 [2,0,0,0,0,0|1,1,0]=4 753 B8R1.5 Cc1cccnc1C TS07903 [2,0,0,0,0,0|2,0,0]=4 754 B8R1.5 Cc1cccnc1Cl TS55203 [2,0,0,0,0,0|1,0,0]=3 755 B8R1.5 Cc1cccnc1F TS08402 [2,0,0,0,0,0|1,1,0]=4 756 B8R1.5 Cc1cccnc1I TS01069 [2,0,0,0,0,0|1,1,0]=4 757 B8R1.5 Cc1cccnc1N TS00720 [2,0,0,0,0,0|2,0,0]=4 758 B8R1.5 Cc1cccnc1N TS01794 [2,0,0,0,0,0|2,0,0]=4 759 B8R1.5 Cc1cccnc1O TS31800 [2,0,0,0,0,0|2,0,0]=4 760 B8R1.5 Cc1cccnc1[Zn+] TS26092 [2,0,0,0,0,0|2,0,0]=4 761 B8R1.5 Cc1ccncc1Br TS09458 [2,0,0,0,0,0|1,1,0]=4 762 B8R1.5 Cc1ccncc1C TS00124 [2,0,0,0,0,0|2,0,0]=4 763 B8R1.5 Cc1ccncc1Cl TS65986 [2,0,0,0,0,0|1,0,0]=3 764 B8R1.5 Cc1ccncc1F TS70582 [2,0,0,0,0,0|1,1,0]=4 765 B8R1.5 Cc1ccncc1N TS02641 [2,0,0,0,0,0|2,0,0]=4 766 B8R1.5 Cc1ccncc1O TS03183 [2,0,0,0,0,0|2,0,0]=4 767 B8R1.5 Cc1ccnnc1Cl TS02026 [2,0,0,0,0,0|2,0,0]=4 768 B8R1.5 Cc1cnccc1Br TS39326 [2,0,0,0,0,0|1,1,0]=4 769 B8R1.5 Cc1cnccc1Br TS88793 [2,0,0,0,0,0|1,1,0]=4 770 B8R1.5 Cc1cnccc1F TS71122 [2,0,0,0,0,0|1,1,0]=4 771 B8R1.5 Cc1cnccc1N TS70892 [2,0,0,0,0,0|2,0,0]=4 772 B8R1.5 Cc1cnccc1O TS70666 [2,0,0,0,0,0|2,0,0]=4 773 B8R1.5 Cc1cncnc1Cl TS71045 [2,0,0,0,0,0|2,0,0]=4 774 B8R1.5 Cn1ccccc1=O TS31799 [2,0,0,0,0,0|2,0,0]=4 775 B8R1.5 Cn1ccccc1=S TS05102 [2,0,0,0,0,0|2,0,0]=4 776 B8R1.5 c1c(c(ncn1)Cl)N TS03235 [2,0,0,0,0,0|2,0,0]=4 777 B8R1.5 c1cc(c(=S)[nH]c1)N TS36142 [2,0,0,0,0,0|2,0,0]=4 778 B8R1.5 c1cc(c(nc1)Br)Cl TS08294 [2,0,0,0,0,0|2,0,0]=4 779 B8R1.5 c1cc(c(nc1)Br)N TS02623 [2,0,0,0,0,0|1,1,0]=4 780 B8R1.5 c1cc(c(nc1)Br)N TS20796 [2,0,0,0,0,0|1,1,0]=4 781 B8R1.5 c1cc(c(nc1)Cl)Br TS16857 [2,0,0,0,0,0|2,0,0]=4 782 B8R1.5 c1cc(c(nc1)Cl)Cl TS47154 [2,0,0,0,0,0|2,0,0]=4 783 B8R1.5 c1cc(c(nc1)Cl)F TS55193 [2,0,0,0,0,0|2,0,0]=4 784 B8R1.5 c1cc(c(nc1)Cl)I TS55194 [2,0,0,0,0,0|2,0,0]=4 785 B8R1.5 c1cc(c(nc1)Cl)N TS88773 [2,0,0,0,0,0|1,0,0]=3 786 B8R1.5 c1cc(c(nc1)Cl)O TS05504 [2,0,0,0,0,0|2,0,0]=4 787 B8R1.5 c1cc(c(nc1)F)Cl TS65972 [2,0,0,0,0,0|2,0,0]=4 788 B8R1.5 c1cc(c(nc1)F)N TS02630 [2,0,0,0,0,0|1,1,0]=4 789 B8R1.5 c1cc(c(nc1)F)N TS40702 [2,0,0,0,0,0|1,1,0]=4 790 B8R1.5 c1cc(c(nc1)I)Cl TS57282 [2,0,0,0,0,0|2,0,0]=4 791 B8R1.5 c1cc(c(nc1)I)N TS02634 [2,0,0,0,0,0|1,1,0]=4 792 B8R1.5 c1cc(c(nc1)N)Br TS08286 [2,0,0,0,0,0|1,1,0]=4 793 B8R1.5 c1cc(c(nc1)N)Cl TS47358 [2,0,0,0,0,0|1,0,0]=3 794 B8R1.5 c1cc(c(nc1)N)F TS47362 [2,0,0,0,0,0|1,1,0]=4 795 B8R1.5 c1cc(c(nc1)N)I TS47370 [2,0,0,0,0,0|1,1,0]=4 796 B8R1.5 c1cc(c(nc1)N)N TS00550 [2,0,0,0,0,0|2,0,0]=4 797 B8R1.5 c1cc(c(nc1)N)O TS07282 [2,0,0,0,0,0|2,0,0]=4 798 B8R1.5 c1cc(c(nc1)N)O TS47366 [2,0,0,0,0,0|2,0,0]=4 799 B8R1.5 c1cc(c(nc1)N)S TS36141 [2,0,0,0,0,0|2,0,0]=4 800 B8R1.5 c1cc(c(nc1)O)Cl TS65974 [2,0,0,0,0,0|2,0,0]=4 801 B8R1.5 c1cc(c(nc1)O)N TS31820 [2,0,0,0,0,0|2,0,0]=4 802 B8R1.5 c1ccc(c(c1)Br)Br TS46780 [2,0,0,0,0,0|1,1,0]=4 803 B8R1.5 c1ccc(c(c1)Br)I TS65287 [2,0,0,0,0,0|1,1,0]=4 804 B8R1.5 c1ccc(c(c1)Cl)Br TS00021 [2,0,0,0,0,0|1,0,0]=3 805 B8R1.5 c1ccc(c(c1)Cl)Cl TS40486 [2,0,0,0,0,0|1,0,0]=3 806 B8R1.5 c1ccc(c(c1)Cl)I TS26261 [2,0,0,0,0,0|1,0,0]=3 807 B8R1.5 c1ccc(c(c1)Cl)[Zn+] TS59237 [2,0,0,0,0,0|1,0,0]=3 808 B8R1.5 c1ccc(c(c1)F)Br TS46916 [2,0,0,0,0,0|1,1,0]=4 809 B8R1.5 c1ccc(c(c1)F)Cl TS02147 [2,0,0,0,0,0|1,0,0]=3 810 B8R1.5 c1ccc(c(c1)F)F TS07875 [2,0,0,0,0,0|1,1,0]=4 811 B8R1.5 c1ccc(c(c1)F)I TS65430 [2,0,0,0,0,0|1,1,0]=4 812 B8R1.5 c1ccc(c(c1)F)S TS46406 [2,0,0,0,0,0|1,1,0]=4 813 B8R1.5 c1ccc(c(c1)I)I TS65275 [2,0,0,0,0,0|1,1,0]=4 814 B8R1.5 c1ccc(c(c1)N)Br TS20655 [2,0,0,0,0,0|0,1,0]=3 815 B8R1.5 c1ccc(c(c1)N)Br TS55149 [2,0,0,0,0,0|0,1,0]=3 816 B8R1.5 c1ccc(c(c1)N)F TS39663 [2,0,0,0,0,0|0,1,0]=3 817 B8R1.5 c1ccc(c(c1)N)I TS01078 [2,0,0,0,0,0|0,1,0]=3 818 B8R1.5 c1ccc(c(c1)N)N TS31770 [2,0,0,0,0,0|1,0,0]=3 819 B8R1.5 c1ccc(c(c1)N)N TS38979 [2,0,0,0,0,0|1,0,0]=3 820 B8R1.5 c1ccc(c(c1)N)N TS48029 [2,0,0,0,0,0|1,0,0]=3 821 B8R1.5 c1ccc(c(c1)N)O TS00817 [2,0,0,0,0,0|1,0,0]=3 822 B8R1.5 c1ccc(c(c1)N)O TS07143 [2,0,0,0,0,0|1,0,0]=3 823 B8R1.5 c1ccc(c(c1)N)O TS76832 [2,0,0,0,0,0|1,0,0]=3 824 B8R1.5 c1ccc(c(c1)N)S TS47467 [2,0,0,0,0,0|1,0,0]=3 825 B8R1.5 c1ccc(c(c1)O)Br TS00855 [2,0,0,0,0,0|1,1,0]=4 826 B8R1.5 c1ccc(c(c1)O)Cl TS36378 [2,0,0,0,0,0|1,0,0]=3 827 B8R1.5 c1ccc(c(c1)O)F TS04282 [2,0,0,0,0,0|1,1,0]=4 828 B8R1.5 c1ccc(c(c1)O)I TS49691 [2,0,0,0,0,0|1,1,0]=4 829 B8R1.5 c1ccc(c(c1)O)O TS01670 [2,0,0,0,0,0|2,0,0]=4 830 B8R1.5 c1ccc(c(c1)O)S TS36136 [2,0,0,0,0,0|2,0,0]=4 831 B8R1.5 c1ccc(c(c1)P)P TS06642 [2,0,0,0,0,0|1,1,0]=4 832 B8R1.5 c1ccc(c(c1)S)Br TS50856 [2,0,0,0,0,0|1,1,0]=4 833 B8R1.5 c1ccc(c(c1)S)Cl TS07050 [2,0,0,0,0,0|1,0,0]=3 834 B8R1.5 c1ccc(c(c1)S)S TS06772 [2,0,0,0,0,0|2,0,0]=4 835 B8R1.5 c1ccn(=O)c(c1)Cl TS42984 [2,0,0,0,0,0|2,0,0]=4 836 B8R1.5 c1ccn(=O)c(c1)Cl TS85343 [2,0,0,0,0,0|2,0,0]=4 837 B8R1.5 c1ccn(=O)c(c1)N TS04192 [2,0,0,0,0,0|2,0,0]=4 838 B8R1.5 c1cnc(c(n1)N)Cl TS05505 [2,0,0,0,0,0|2,0,0]=4 839 B8R1.5 c1cncc(c1Br)Cl TS09572 [2,0,0,0,0,0|2,0,0]=4 840 B8R1.5 c1cncc(c1Br)N TS65852 [2,0,0,0,0,0|1,1,0]=4 841 B8R1.5 c1cncc(c1Cl)Br TS52758 [2,0,0,0,0,0|2,0,0]=4 842 B8R1.5 c1cncc(c1Cl)Br TS65918 [2,0,0,0,0,0|2,0,0]=4 843 B8R1.5 c1cncc(c1Cl)Cl TS15363 [2,0,0,0,0,0|2,0,0]=4 844 B8R1.5 c1cncc(c1Cl)Cl TS65745 [2,0,0,0,0,0|2,0,0]=4 845 B8R1.5 c1cncc(c1Cl)I TS57279 [2,0,0,0,0,0|2,0,0]=4 846 B8R1.5 c1cncc(c1Cl)N TS65854 [2,0,0,0,0,0|1,0,0]=3 847 B8R1.5 c1cncc(c1Cl)O TS09640 [2,0,0,0,0,0|2,0,0]=4 848 B8R1.5 c1cncc(c1F)Cl TS36634 [2,0,0,0,0,0|2,0,0]=4 849 B8R1.5 c1cncc(c1I)Cl TS02697 [2,0,0,0,0,0|2,0,0]=4 850 B8R1.5 c1cncc(c1I)Cl TS85392 [2,0,0,0,0,0|2,0,0]=4 851 B8R1.5 c1cncc(c1I)N TS09721 [2,0,0,0,0,0|1,1,0]=4 852 B8R1.5 c1cncc(c1I)N TS88838 [2,0,0,0,0,0|1,1,0]=4 853 B8R1.5 c1cncc(c1N)F TS70882 [2,0,0,0,0,0|1,1,0]=4 854 B8R1.5 c1cncc(c1N)F TS85432 [2,0,0,0,0,0|1,1,0]=4 855 B8R1.5 c1cncc(c1N)I TS70887 [2,0,0,0,0,0|1,1,0]=4 856 B8R1.5 c1cncc(c1N)N TS02530 [2,0,0,0,0,0|2,0,0]=4 857 B8R1.5 c1cncc(c1O)Cl TS02695 [2,0,0,0,0,0|2,0,0]=4 858 B8R1.5 c1cncc(c1O)N TS65860 [2,0,0,0,0,0|2,0,0]=4 859 B10R1.1 C=CCc1ccc(cc1)O TS36845 [1,1,0,0,0,0|1,0,1]=4 860 B10R1.1 CCCc1ccc(cc1)Br TS54164 [1,1,0,0,0,0|1,0,0]=3 861 B10R1.1 CCCc1ccc(cc1)C TS05929 [1,1,0,0,0,0|1,0,0]=3 862 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [1,1,0,0,0,0|1,0,0]=3 863 B10R1.1 CCCc1ccc(cc1)F TS07665 [1,1,0,0,0,0|1,0,0]=3 864 B10R1.1 CCCc1ccc(cc1)I TS27402 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.1 CCCc1ccc(cc1)N TS36955 [1,1,0,0,0,0|1,0,0]=3 866 B10R1.1 CCCc1ccc(cc1)O TS06088 [1,1,0,0,0,0|1,0,0]=3 867 B10R1.1 CCNc1ccc(cc1)C TS36952 [1,1,0,0,0,0|2,0,0]=4 868 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.1 CCOc1ccc(cc1)Br TS38042 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.1 CCOc1ccc(cc1)C TS06082 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.1 CCOc1ccc(cc1)F TS37363 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.1 CCOc1ccc(cc1)I TS59517 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.1 CCOc1ccc(cc1)N TS33162 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.1 CCOc1ccc(cc1)N TS45702 [1,1,0,0,0,0|2,0,0]=4 876 B10R1.1 CCOc1ccc(cc1)O TS06257 [1,1,0,0,0,0|2,0,0]=4 877 B10R1.1 CCSc1ccc(cc1)Br TS49222 [1,1,0,0,0,0|2,0,0]=4 878 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [1,1,0,0,0,0|2,0,0]=4 879 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [1,1,0,0,0,0|2,0,0]=4 880 B10R1.1 COCc1ccc(cc1)F TS37375 [1,1,0,0,0,0|2,0,0]=4 881 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [1,1,0,0,0,0|2,0,0]=4 882 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [1,1,0,0,0,0|0,0,2]=4 883 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [1,1,0,0,0,0|1,0,1]=4 884 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [1,1,0,0,0,0|1,0,1]=4 885 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [1,1,0,0,0,0|1,0,0]=3 886 B10R1.1 Cc1ccc(cc1)CCN TS36945 [1,1,0,0,0,0|0,0,0]=2 887 B10R1.1 Cc1ccc(cc1)CCO TS06073 [1,1,0,0,0,0|1,0,0]=3 888 B10R1.1 Cc1ccc(cc1)CNC TS01603 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.1 Cc1ccc(cn1)CCO TS06184 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [1,1,0,0,0,0|0,0,2]=4 894 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [1,1,0,0,0,0|0,0,2]=4 895 B10R1.1 c1cc(ccc1CC#N)F TS09126 [1,1,0,0,0,0|0,0,2]=4 896 B10R1.1 c1cc(ccc1CC#N)I TS09719 [1,1,0,0,0,0|0,0,2]=4 897 B10R1.1 c1cc(ccc1CC#N)N TS05748 [1,1,0,0,0,0|0,0,2]=4 898 B10R1.1 c1cc(ccc1CC#N)N TS12627 [1,1,0,0,0,0|0,0,2]=4 899 B10R1.1 c1cc(ccc1CC#N)O TS59576 [1,1,0,0,0,0|0,0,2]=4 900 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [1,1,0,0,0,0|1,0,1]=4 901 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [1,1,0,0,0,0|1,0,1]=4 902 B10R1.1 c1cc(ccc1CC=O)F TS47060 [1,1,0,0,0,0|1,0,1]=4 903 B10R1.1 c1cc(ccc1CC=O)N TS36921 [1,1,0,0,0,0|1,0,1]=4 904 B10R1.1 c1cc(ccc1CC=O)O TS36982 [1,1,0,0,0,0|1,0,1]=4 905 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [1,1,0,0,0,0|1,0,0]=3 906 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [1,1,0,0,0,0|1,0,0]=3 907 B10R1.1 c1cc(ccc1CCBr)F TS38380 [1,1,0,0,0,0|1,0,0]=3 908 B10R1.1 c1cc(ccc1CCBr)O TS38051 [1,1,0,0,0,0|1,0,0]=3 909 B10R1.1 c1cc(ccc1CCCl)F TS11092 [1,1,0,0,0,0|1,0,0]=3 910 B10R1.1 c1cc(ccc1CCN)Br TS34272 [1,1,0,0,0,0|0,0,0]=2 911 B10R1.1 c1cc(ccc1CCN)Br TS71000 [1,1,0,0,0,0|0,0,0]=2 912 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [1,1,0,0,0,0|0,0,0]=2 913 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [1,1,0,0,0,0|0,0,0]=2 914 B10R1.1 c1cc(ccc1CCN)F TS03097 [1,1,0,0,0,0|0,0,0]=2 915 B10R1.1 c1cc(ccc1CCN)F TS13760 [1,1,0,0,0,0|0,0,0]=2 916 B10R1.1 c1cc(ccc1CCN)I TS27555 [1,1,0,0,0,0|0,0,0]=2 917 B10R1.1 c1cc(ccc1CCN)N TS09521 [1,1,0,0,0,0|0,0,0]=2 918 B10R1.1 c1cc(ccc1CCN)N TS37024 [1,1,0,0,0,0|0,0,0]=2 919 B10R1.1 c1cc(ccc1CCN)O TS01822 [1,1,0,0,0,0|0,0,0]=2 920 B10R1.1 c1cc(ccc1CCN)O TS39727 [1,1,0,0,0,0|0,0,0]=2 921 B10R1.1 c1cc(ccc1CCO)Br TS16460 [1,1,0,0,0,0|1,0,0]=3 922 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [1,1,0,0,0,0|1,0,0]=3 923 B10R1.1 c1cc(ccc1CCO)F TS39509 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.1 c1cc(ccc1CCO)N TS39616 [1,1,0,0,0,0|1,0,0]=3 925 B10R1.1 c1cc(ccc1CCO)O TS47066 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.1 c1cc(ccc1CNN)Br TS91149 [1,1,0,0,0,0|1,0,0]=3 927 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [1,1,0,0,0,0|1,0,0]=3 928 B10R1.1 c1cc(ccc1CNN)F TS88239 [1,1,0,0,0,0|1,0,0]=3 929 B10R1.1 c1cc(ccc1CNN)F TS94903 [1,1,0,0,0,0|1,0,0]=3 930 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [1,1,0,0,0,0|1,0,1]=4 931 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [1,1,0,0,0,0|1,0,1]=4 932 B10R1.1 c1cc(ncc1Br)CCN TS88073 [1,1,0,0,0,0|1,0,0]=3 933 B10R1.1 c1cc(ncc1Br)CCO TS86702 [1,1,0,0,0,0|2,0,0]=4 934 B10R1.10 C=CCc1cccc(c1)F TS36995 [1,1,0,0,0,0|1,0,1]=4 935 B10R1.10 CCCc1cccc(c1)C TS36863 [1,1,0,0,0,0|1,0,0]=3 936 B10R1.10 CCCc1cccc(c1)O TS70692 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.10 CCCc1cccc(n1)N TS55636 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.10 CCCc1ccnc(c1)N TS06105 [1,1,0,0,0,0|2,0,0]=4 939 B10R1.10 CCNc1cccc(c1)C TS06008 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.10 CCOc1cccc(c1)Br TS65957 [1,1,0,0,0,0|2,0,0]=4 941 B10R1.10 CCOc1cccc(c1)C TS06098 [1,1,0,0,0,0|2,0,0]=4 942 B10R1.10 CCOc1cccc(c1)F TS37372 [1,1,0,0,0,0|2,0,0]=4 943 B10R1.10 CCOc1cccc(c1)N TS37121 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.10 CCOc1cccc(c1)O TS06261 [1,1,0,0,0,0|2,0,0]=4 945 B10R1.10 CCOc1cccc(c1)S TS41409 [1,1,0,0,0,0|2,0,0]=4 946 B10R1.10 CNCc1cccc(c1)Cl TS08974 [1,1,0,0,0,0|2,0,0]=4 947 B10R1.10 CNCc1cccc(c1)N TS37043 [1,1,0,0,0,0|2,0,0]=4 948 B10R1.10 COCc1cccc(c1)F TS37370 [1,1,0,0,0,0|2,0,0]=4 949 B10R1.10 Cc1cccc(c1)CC#N TS05673 [1,1,0,0,0,0|0,0,2]=4 950 B10R1.10 Cc1cccc(c1)CCBr TS54163 [1,1,0,0,0,0|1,0,0]=3 951 B10R1.10 Cc1cccc(c1)CCN TS45399 [1,1,0,0,0,0|0,0,0]=2 952 B10R1.10 Cc1cccc(c1)CCN TS70669 [1,1,0,0,0,0|0,0,0]=2 953 B10R1.10 Cc1cccc(c1)CCO TS37008 [1,1,0,0,0,0|1,0,0]=3 954 B10R1.10 Cc1cccc(c1)CNC TS36964 [1,1,0,0,0,0|2,0,0]=4 955 B10R1.10 Cc1cccc(n1)CCO TS37109 [1,1,0,0,0,0|2,0,0]=4 956 B10R1.10 c1c(cncc1Br)CNN TS92508 [1,1,0,0,0,0|2,0,0]=4 957 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [1,1,0,0,0,0|0,0,2]=4 958 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [1,1,0,0,0,0|0,0,0]=2 959 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [1,1,0,0,0,0|0,0,0]=2 960 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [1,1,0,0,0,0|1,0,0]=3 961 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [1,1,0,0,0,0|1,0,0]=3 962 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [1,1,0,0,0,0|1,0,0]=3 963 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [1,1,0,0,0,0|2,0,0]=4 964 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [1,1,0,0,0,0|0,0,2]=4 965 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [1,1,0,0,0,0|1,0,1]=4 966 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [1,1,0,0,0,0|0,0,0]=2 968 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [1,1,0,0,0,0|1,0,0]=3 970 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [1,1,0,0,0,0|1,0,1]=4 971 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [1,1,0,0,0,0|0,0,2]=4 972 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [1,1,0,0,0,0|1,0,1]=4 973 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [1,1,0,0,0,0|0,0,0]=2 975 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [1,1,0,0,0,0|1,0,0]=3 976 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.10 c1cc(cc(c1)F)CON TS93853 [1,1,0,0,0,0|1,0,0]=3 978 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [1,1,0,0,0,0|0,0,2]=4 979 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [1,1,0,0,0,0|1,0,0]=3 980 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [1,1,0,0,0,0|0,0,0]=2 981 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [1,1,0,0,0,0|1,0,0]=3 982 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [1,1,0,0,0,0|1,0,0]=3 983 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [1,1,0,0,0,0|1,0,0]=3 984 B10R1.10 c1cnc(cc1CCN)Br TS49022 [1,1,0,0,0,0|1,0,0]=3 985 B10R1.15 C#CC(c1ccccc1)O TS36663 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.15 C=CC(c1ccccc1)O TS36829 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [1,1,0,0,0,0|1,0,1]=4 989 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [1,1,0,0,0,0|1,0,1]=4 990 B10R1.15 CC(=NN)c1ccccc1 TS05912 [1,1,0,0,0,0|1,0,1]=4 991 B10R1.15 CC(CBr)c1ccccc1 TS54166 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.15 CC(CN)c1ccccc1 TS36949 [1,1,0,0,0,0|0,0,0]=2 993 B10R1.15 CC(CO)c1ccccc1 TS06093 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [1,1,0,0,0,0|2,0,0]=4 995 B10R1.15 CCC(=C)c1ccccc1 TS36703 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.15 CCC(=O)c1ccccc1 TS00059 [1,1,0,0,0,0|1,0,1]=4 997 B10R1.15 CCC(C)c1ccccc1 TS36864 [1,1,0,0,0,0|1,0,0]=3 998 B10R1.15 CCC(c1ccccc1)N TS36947 [1,1,0,0,0,0|1,0,0]=3 999 B10R1.15 CCC(c1ccccc1)O TS37007 [1,1,0,0,0,0|1,0,0]=3 1000 B10R1.15 CCC(c1ccncc1)N TS06101 [1,1,0,0,0,0|2,0,0]=4 1001 B10R1.15 CCN(C)c1ccccc1 TS36948 [1,1,0,0,0,0|2,0,0]=4 1002 B10R1.15 CCN(c1ccccc1)N TS06110 [1,1,0,0,0,0|2,0,0]=4 1003 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [1,1,0,0,0,0|1,0,0]=3 1004 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [1,1,0,0,0,0|1,0,0]=3 1005 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [1,1,0,0,0,0|0,0,0]=2 1006 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [1,1,0,0,0,0|1,0,0]=3 1007 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [1,1,0,0,0,0|2,0,0]=4 1008 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [1,1,0,0,0,0|0,0,0]=2 1010 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [1,1,0,0,0,0|1,0,0]=3 1011 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [1,1,0,0,0,0|0,0,1]=3 1012 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [1,1,0,0,0,0|2,0,0]=4 1015 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [1,1,0,0,0,0|1,0,0]=3 1016 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [1,1,0,0,0,0|2,0,0]=4 1017 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [1,1,0,0,0,0|1,0,1]=4 1018 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [1,1,0,0,0,0|0,0,1]=3 1021 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [1,1,0,0,0,0|1,0,1]=4 1022 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [1,1,0,0,0,0|1,0,1]=4 1023 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [1,1,0,0,0,0|0,0,2]=4 1024 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [1,1,0,0,0,0|0,0,2]=4 1025 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [1,1,0,0,0,0|1,0,0]=3 1027 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [1,1,0,0,0,0|0,0,0]=2 1028 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [1,1,0,0,0,0|0,0,0]=2 1029 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [1,1,0,0,0,0|0,0,0]=2 1030 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [1,1,0,0,0,0|0,0,0]=2 1031 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [1,1,0,0,0,0|2,0,0]=4 1034 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [1,1,0,0,0,0|0,0,0]=2 1036 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [1,1,0,0,0,0|0,0,2]=4 1039 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [1,1,0,0,0,0|0,0,0]=2 1041 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.15 c1cnccc1C(CN)O TS43948 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.17 C#CCCc1ccccc1 TS36511 [1,1,0,0,0,0|1,0,0]=3 1045 B10R1.17 C#CCOc1ccccc1 TS36668 [1,1,0,0,0,0|1,0,1]=4 1046 B10R1.17 C#CCSc1ccccc1 TS07496 [1,1,0,0,0,0|1,0,1]=4 1047 B10R1.17 C=CCCc1ccccc1 TS36707 [1,1,0,0,0,0|1,0,0]=3 1048 B10R1.17 C=CCCc1ccncc1 TS36777 [1,1,0,0,0,0|2,0,0]=4 1049 B10R1.17 C=CCNc1ccccc1 TS05848 [1,1,0,0,0,0|1,0,1]=4 1050 B10R1.17 C=CCOc1ccccc1 TS36847 [1,1,0,0,0,0|1,0,1]=4 1051 B10R1.17 C=CCSc1ccccc1 TS40921 [1,1,0,0,0,0|1,0,1]=4 1052 B10R1.17 CC=CCc1ccccc1 TS36709 [1,1,0,0,0,0|1,0,1]=4 1053 B10R1.17 CCC#Cc1ccccc1 TS36516 [1,1,0,0,0,0|1,0,1]=4 1054 B10R1.17 CCC=Cc1ccccc1 TS36700 [1,1,0,0,0,0|1,0,1]=4 1055 B10R1.17 CCCC[n+]1ccccc1 TS21989 [1,1,0,0,0,0|2,0,0]=4 1056 B10R1.17 CCCC[n+]1ccccc1 TS45400 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.17 CCCCc1ccccc1 TS36870 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.17 CCCCc1ccccn1 TS06002 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.17 CCCCc1cccnc1 TS06012 [1,1,0,0,0,0|2,0,0]=4 1060 B10R1.17 CCCCc1ccncc1 TS06014 [1,1,0,0,0,0|2,0,0]=4 1061 B10R1.17 CCCNc1ccccc1 TS36942 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.17 CCCOc1ccccc1 TS37010 [1,1,0,0,0,0|1,0,0]=3 1063 B10R1.17 CCCSc1ccccc1 TS41194 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.17 CCN=Cc1ccccc1 TS05847 [1,1,0,0,0,0|1,0,1]=4 1065 B10R1.17 CCNCc1ccccc1 TS06015 [1,1,0,0,0,0|1,0,0]=3 1066 B10R1.17 CCNCc1ccncc1 TS37037 [1,1,0,0,0,0|2,0,0]=4 1067 B10R1.17 CCOCc1ccccc1 TS37009 [1,1,0,0,0,0|1,0,0]=3 1068 B10R1.17 CCSCc1ccccc1 TS41200 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.17 CNCCc1ccccc1 TS01606 [1,1,0,0,0,0|0,0,0]=2 1070 B10R1.17 CNCCc1ccccn1 TS37041 [1,1,0,0,0,0|1,0,0]=3 1071 B10R1.17 CNCCc1ccccn1 TS63536 [1,1,0,0,0,0|1,0,0]=3 1072 B10R1.17 CNCCc1ccccn1 TS65180 [1,1,0,0,0,0|1,0,0]=3 1073 B10R1.17 CNCCc1cccnc1 TS08004 [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.17 CNCCc1ccncc1 TS37035 [1,1,0,0,0,0|1,0,0]=3 1075 B10R1.17 COCCc1ccccc1 TS06081 [1,1,0,0,0,0|1,0,0]=3 1076 B10R1.17 COCCc1ccccn1 TS06192 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.17 COCOc1ccccc1 TS06260 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.17 COCSc1ccccc1 TS10468 [1,1,0,0,0,0|2,0,0]=4 1079 B10R1.17 CSCOc1ccccc1 TS10467 [1,1,0,0,0,0|2,0,0]=4 1080 B10R1.17 CSSCc1ccccc1 TS12900 [1,1,0,0,0,0|2,0,0]=4 1081 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [1,1,0,0,0,0|0,0,1]=3 1082 B10R1.17 c1cc(cnc1)CCC#N TS05740 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.17 c1cc(cnc1)CCCO TS37116 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.17 c1ccc(cc1)C#CCCl TS09975 [1,1,0,0,0,0|1,0,1]=4 1085 B10R1.17 c1ccc(cc1)C#CCN TS05672 [1,1,0,0,0,0|0,0,1]=3 1086 B10R1.17 c1ccc(cc1)C#CCO TS36664 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.17 c1ccc(cc1)C=CCO TS36831 [1,1,0,0,0,0|1,0,1]=4 1090 B10R1.17 c1ccc(cc1)CCC#N TS56176 [1,1,0,0,0,0|0,0,1]=3 1091 B10R1.17 c1ccc(cc1)CCC=O TS01796 [1,1,0,0,0,0|1,0,0]=3 1092 B10R1.17 c1ccc(cc1)CCCCl TS41470 [1,1,0,0,0,0|1,0,0]=3 1093 B10R1.17 c1ccc(cc1)CCCN TS36954 [1,1,0,0,0,0|0,0,0]=2 1094 B10R1.17 c1ccc(cc1)CCCO TS37013 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.17 c1ccc(cc1)CCCS TS41196 [1,1,0,0,0,0|1,0,0]=3 1096 B10R1.17 c1ccc(cc1)CCNN TS06106 [1,1,0,0,0,0|0,0,0]=2 1097 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [1,1,0,0,0,0|1,0,1]=4 1098 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [1,1,0,0,0,0|1,0,1]=4 1099 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [1,1,0,0,0,0|1,0,1]=4 1100 B10R1.17 c1ccc(cc1)CNC=O TS36937 [1,1,0,0,0,0|1,0,1]=4 1101 B10R1.17 c1ccc(cc1)COC=O TS36984 [1,1,0,0,0,0|1,0,1]=4 1102 B10R1.17 c1ccc(cc1)COCCl TS39818 [1,1,0,0,0,0|1,0,0]=3 1103 B10R1.17 c1ccc(cc1)CSC#N TS07591 [1,1,0,0,0,0|0,0,2]=4 1104 B10R1.17 c1ccc(cc1)CSCBr TS22173 [1,1,0,0,0,0|1,0,0]=3 1105 B10R1.17 c1ccc(cc1)CSCCl TS13275 [1,1,0,0,0,0|1,0,0]=3 1106 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [1,1,0,0,0,0|0,0,2]=4 1107 B10R1.17 c1ccc(cc1)NCCN TS37036 [1,1,0,0,0,0|0,0,0]=2 1108 B10R1.17 c1ccc(cc1)NCCO TS37110 [1,1,0,0,0,0|1,0,0]=3 1109 B10R1.17 c1ccc(cc1)OCC=O TS36991 [1,1,0,0,0,0|1,0,1]=4 1110 B10R1.17 c1ccc(cc1)OCCBr TS55768 [1,1,0,0,0,0|1,0,0]=3 1111 B10R1.17 c1ccc(cc1)OCCCl TS10798 [1,1,0,0,0,0|1,0,0]=3 1112 B10R1.17 c1ccc(cc1)OCCN TS65630 [1,1,0,0,0,0|0,0,0]=2 1113 B10R1.17 c1ccc(cc1)OCCO TS06243 [1,1,0,0,0,0|1,0,0]=3 1114 B10R1.17 c1ccc(cc1)SCC#N TS40766 [1,1,0,0,0,0|0,0,2]=4 1115 B10R1.17 c1ccc(cc1)SCCBr TS49223 [1,1,0,0,0,0|1,0,0]=3 1116 B10R1.17 c1ccc(cc1)SCCCl TS13277 [1,1,0,0,0,0|1,0,0]=3 1117 B10R1.17 c1ccc(cc1)SCCO TS10471 [1,1,0,0,0,0|1,0,0]=3 1118 B10R1.17 c1ccnc(c1)CCCCl TS10631 [1,1,0,0,0,0|2,0,0]=4 1119 B10R1.17 c1ccnc(c1)CCCO TS02471 [1,1,0,0,0,0|2,0,0]=4 1120 B10R1.17 c1ccnc(c1)NCCO TS45873 [1,1,0,0,0,0|2,0,0]=4 1121 B10R1.17 c1ccnc(c1)SCCO TS10597 [1,1,0,0,0,0|2,0,0]=4 1122 B10R1.17 c1cnccc1CCCN TS37023 [1,1,0,0,0,0|1,0,0]=3 1123 B10R1.17 c1cnccc1CCCO TS37120 [1,1,0,0,0,0|2,0,0]=4 1124 B10R1.17 c1cnccc1NCCN TS45706 [1,1,0,0,0,0|1,0,0]=3 1125 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [1,1,0,0,0,0|2,0,0]=4 1126 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [1,1,0,0,0,0|1,0,1]=4 1127 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [1,1,0,0,0,0|1,0,1]=4 1128 B10R1.18 CC(C)Cc1ccccc1 TS74509 [1,1,0,0,0,0|1,0,0]=3 1129 B10R1.18 CC(C)Cc1ccccn1 TS36960 [1,1,0,0,0,0|2,0,0]=4 1130 B10R1.18 CC(C)Cc1cccnc1 TS06005 [1,1,0,0,0,0|2,0,0]=4 1131 B10R1.18 CC(C)Cc1ccncc1 TS06006 [1,1,0,0,0,0|2,0,0]=4 1132 B10R1.18 CC(C)Nc1ccccc1 TS56404 [1,1,0,0,0,0|2,0,0]=4 1133 B10R1.18 CC(C)Sc1ccccc1 TS41201 [1,1,0,0,0,0|2,0,0]=4 1134 B10R1.18 CC(Cc1ccccc1)Br TS55076 [1,1,0,0,0,0|1,0,0]=3 1135 B10R1.18 CC(Cc1ccccc1)N TS06010 [1,1,0,0,0,0|0,0,0]=2 1136 B10R1.18 CC(Cc1ccccc1)O TS47018 [1,1,0,0,0,0|1,0,0]=3 1137 B10R1.18 CC(Cc1ccccn1)N TS46983 [1,1,0,0,0,0|1,0,0]=3 1138 B10R1.18 CC(Cc1cccnc1)N TS00050 [1,1,0,0,0,0|1,0,0]=3 1139 B10R1.18 CN(C)Cc1ccccc1 TS06009 [1,1,0,0,0,0|2,0,0]=4 1140 B10R1.18 CN(C)Cc1ccccc1 TS45394 [1,1,0,0,0,0|2,0,0]=4 1141 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [1,1,0,0,0,0|2,0,0]=4 1142 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [1,1,0,0,0,0|0,0,0]=2 1143 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [1,1,0,0,0,0|0,0,0]=2 1144 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [1,1,0,0,0,0|1,1,0]=4 1145 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [1,1,0,0,0,0|1,0,1]=4 1146 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [1,1,0,0,0,0|1,0,1]=4 1147 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [1,1,0,0,0,0|0,0,1]=3 1148 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [1,1,0,0,0,0|1,0,1]=4 1149 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [1,1,0,0,0,0|1,0,1]=4 1150 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [1,1,0,0,0,0|1,0,1]=4 1151 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [1,1,0,0,0,0|1,0,1]=4 1152 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [1,1,0,0,0,0|0,0,1]=3 1153 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [1,1,0,0,0,0|1,0,1]=4 1154 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [1,1,0,0,0,0|1,0,1]=4 1155 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [1,1,0,0,0,0|1,0,1]=4 1156 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [1,1,0,0,0,0|1,0,1]=4 1157 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [1,1,0,0,0,0|1,0,1]=4 1158 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [1,1,0,0,0,0|2,0,0]=4 1159 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [1,1,0,0,0,0|1,1,0]=4 1160 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [1,1,0,0,0,0|1,0,1]=4 1161 B10R1.18 c1cnccc1CC(=O)N TS36994 [1,1,0,0,0,0|1,0,1]=4 1162 B10R1.2 CCc1c(c(=O)cco1)O TS37337 [1,1,0,0,0,0|2,0,0]=4 1163 B10R1.2 CCc1c(c(ncn1)Cl)Cl TS60037 [1,1,0,0,0,0|2,0,0]=4 1164 B10R1.2 CCc1c(c(ncn1)O)Cl TS32988 [1,1,0,0,0,0|2,0,0]=4 1165 B10R1.2 CCc1cccc(c1C)C TS36862 [1,1,0,0,0,0|1,0,0]=3 1166 B10R1.2 CCc1cccc(c1O)C TS06085 [1,1,0,0,0,0|1,0,0]=3 1167 B10R1.2 COc1cccc(c1Br)F TS08297 [1,1,0,0,0,0|1,1,0]=4 1168 B10R1.2 COc1cccc(c1Br)N TS39650 [1,1,0,0,0,0|1,1,0]=4 1169 B10R1.2 COc1cccc(c1Br)O TS38374 [1,1,0,0,0,0|1,1,0]=4 1170 B10R1.2 COc1cccc(c1Cl)Cl TS85190 [1,1,0,0,0,0|1,0,0]=3 1171 B10R1.2 COc1cccc(c1Cl)N TS55195 [1,1,0,0,0,0|1,0,0]=3 1172 B10R1.2 COc1cccc(c1F)Br TS65479 [1,1,0,0,0,0|1,1,0]=4 1173 B10R1.2 COc1cccc(c1F)Cl TS42232 [1,1,0,0,0,0|1,1,0]=4 1174 B10R1.2 COc1cccc(c1F)F TS02338 [1,1,0,0,0,0|1,1,0]=4 1175 B10R1.2 COc1cccc(c1F)O TS37550 [1,1,0,0,0,0|1,1,0]=4 1176 B10R1.2 COc1cccc(c1I)F TS09365 [1,1,0,0,0,0|1,1,0]=4 1177 B10R1.2 COc1cccc(c1N)F TS55365 [1,1,0,0,0,0|2,0,0]=4 1178 B10R1.2 COc1cccc(c1O)Br TS87716 [1,1,0,0,0,0|2,0,0]=4 1179 B10R1.2 COc1cccc(c1O)F TS65426 [1,1,0,0,0,0|2,0,0]=4 1180 B10R1.2 COc1cccc(c1O)O TS60018 [1,1,0,0,0,0|2,0,0]=4 1181 B10R1.2 Cc1c(cccc1Cl)OC TS09315 [1,1,0,0,0,0|2,0,0]=4 1182 B10R1.2 Cc1c(cccc1Cl)SC TS13276 [1,1,0,0,0,0|2,0,0]=4 1183 B10R1.2 Cc1c(cccc1F)CO TS09370 [1,1,0,0,0,0|2,0,0]=4 1184 B10R1.2 Cc1c(cccc1N)CO TS37119 [1,1,0,0,0,0|2,0,0]=4 1185 B10R1.2 Cc1c(cccc1OC)N TS70644 [1,1,0,0,0,0|2,0,0]=4 1186 B10R1.2 Cc1cccc(c1C)CBr TS46745 [1,1,0,0,0,0|2,0,0]=4 1187 B10R1.2 Cc1cccc(c1C)CCl TS41469 [1,1,0,0,0,0|2,0,0]=4 1188 B10R1.2 Cc1cccc(c1C)CN TS36950 [1,1,0,0,0,0|1,0,0]=3 1189 B10R1.2 Cc1cccc(c1C)CO TS37020 [1,1,0,0,0,0|2,0,0]=4 1190 B10R1.2 Cc1cccc(c1C)NN TS13271 [1,1,0,0,0,0|2,0,0]=4 1191 B10R1.2 Cc1cccc(c1C)NN TS51214 [1,1,0,0,0,0|2,0,0]=4 1192 B10R1.2 Cc1cccc(c1C)OC TS02345 [1,1,0,0,0,0|2,0,0]=4 1193 B10R1.2 Cc1cccc(c1Cl)C#N TS32910 [1,1,0,0,0,0|0,0,2]=4 1194 B10R1.2 Cc1cccc(c1F)CBr TS09289 [1,1,0,0,0,0|1,1,0]=4 1195 B10R1.2 Cc1cccc(c1N)OC TS01100 [1,1,0,0,0,0|2,0,0]=4 1196 B10R1.2 Cc1cccc(c1O)OC TS55384 [1,1,0,0,0,0|2,0,0]=4 1197 B10R1.2 Cn1cccc(c1=O)CN TS89038 [1,1,0,0,0,0|2,0,0]=4 1198 B10R1.2 [C-]#[N+]c1cccc(c1Cl)Cl TS13101 [1,1,0,0,0,0|1,0,1]=4 1199 B10R1.2 c1cc(c(c(c1)Cl)Cl)C#N TS47150 [1,1,0,0,0,0|0,0,2]=4 1200 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O TS47149 [1,1,0,0,0,0|1,0,1]=4 1201 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr TS07691 [1,1,0,0,0,0|1,0,0]=3 1202 B10R1.2 c1cc(c(c(c1)Cl)Cl)CCl TS52077 [1,1,0,0,0,0|1,0,0]=3 1203 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN TS47151 [1,1,0,0,0,0|0,0,0]=2 1204 B10R1.2 c1cc(c(c(c1)Cl)Cl)CO TS02329 [1,1,0,0,0,0|1,0,0]=3 1205 B10R1.2 c1cc(c(c(c1)Cl)Cl)NN TS21555 [1,1,0,0,0,0|1,0,0]=3 1206 B10R1.2 c1cc(c(c(c1)Cl)F)CBr TS16732 [1,1,0,0,0,0|1,1,0]=4 1207 B10R1.2 c1cc(c(c(c1)Cl)F)CN TS11185 [1,1,0,0,0,0|0,1,0]=3 1208 B10R1.2 c1cc(c(c(c1)Cl)F)CO TS42233 [1,1,0,0,0,0|1,1,0]=4 1209 B10R1.2 c1cc(c(c(c1)Cl)F)NN TS65488 [1,1,0,0,0,0|1,1,0]=4 1210 B10R1.2 c1cc(c(c(c1)F)Cl)C#N TS41553 [1,1,0,0,0,0|0,0,2]=4 1211 B10R1.2 c1cc(c(c(c1)F)Cl)C=O TS08398 [1,1,0,0,0,0|1,0,1]=4 1212 B10R1.2 c1cc(c(c(c1)F)Cl)CBr TS08826 [1,1,0,0,0,0|1,0,0]=3 1213 B10R1.2 c1cc(c(c(c1)F)F)CBr TS08794 [1,1,0,0,0,0|1,1,0]=4 1214 B10R1.2 c1cc(c(c(c1)F)F)CCl TS02340 [1,1,0,0,0,0|1,1,0]=4 1215 B10R1.2 c1cc(c(c(c1)F)F)CN TS00557 [1,1,0,0,0,0|0,1,0]=3 1216 B10R1.2 c1cc(c(c(c1)F)F)CO TS02339 [1,1,0,0,0,0|1,1,0]=4 1217 B10R1.2 c1cc(c(c(c1)O)O)CN TS37279 [1,1,0,0,0,0|1,0,0]=3 1218 B10R1.20 CCc1ccccc1C#N TS59966 [1,1,0,0,0,0|1,0,0]=3 1219 B10R1.20 CCc1ccccc1C=O TS36837 [1,1,0,0,0,0|1,0,0]=3 1220 B10R1.20 CCc1ccccc1CC TS36854 [1,1,0,0,0,0|1,0,0]=3 1221 B10R1.20 CCc1ccccc1NN TS59967 [1,1,0,0,0,0|1,0,0]=3 1222 B10R1.20 CCc1ccccc1OC TS06091 [1,1,0,0,0,0|1,0,0]=3 1223 B10R1.20 CCc1ccncc1CC TS36953 [1,1,0,0,0,0|2,0,0]=4 1224 B10R1.20 CNc1ccccc1OC TS06193 [1,1,0,0,0,0|2,0,0]=4 1225 B10R1.20 COc1c(cccn1)CN TS85674 [1,1,0,0,0,0|2,0,0]=4 1226 B10R1.20 COc1c(cccn1)CN TS86802 [1,1,0,0,0,0|2,0,0]=4 1227 B10R1.20 COc1ccccc1C#C TS55428 [1,1,0,0,0,0|2,0,0]=4 1228 B10R1.20 COc1ccccc1C#N TS02018 [1,1,0,0,0,0|2,0,0]=4 1229 B10R1.20 COc1ccccc1C=C TS36839 [1,1,0,0,0,0|2,0,0]=4 1230 B10R1.20 COc1ccccc1C=O TS00088 [1,1,0,0,0,0|2,0,0]=4 1231 B10R1.20 COc1ccccc1CBr TS46746 [1,1,0,0,0,0|1,1,0]=4 1232 B10R1.20 COc1ccccc1CCl TS01104 [1,1,0,0,0,0|1,0,0]=3 1233 B10R1.20 COc1ccccc1CN TS01103 [1,1,0,0,0,0|1,0,0]=3 1234 B10R1.20 COc1ccccc1CO TS06248 [1,1,0,0,0,0|2,0,0]=4 1235 B10R1.20 COc1ccccc1NN TS46513 [1,1,0,0,0,0|2,0,0]=4 1236 B10R1.20 COc1ccccc1OC TS07876 [1,1,0,0,0,0|2,0,0]=4 1237 B10R1.20 COc1ccccc1SC TS55437 [1,1,0,0,0,0|2,0,0]=4 1238 B10R1.20 COc1ccccc1[Mg]Br TS44048 [1,1,0,0,0,0|1,1,0]=4 1239 B10R1.20 COc1cccnc1CN TS06271 [1,1,0,0,0,0|2,0,0]=4 1240 B10R1.20 CSc1c(cccn1)CCl TS50635 [1,1,0,0,0,0|2,0,0]=4 1241 B10R1.20 CSc1ccccc1C#N TS40767 [1,1,0,0,0,0|2,0,0]=4 1242 B10R1.20 CSc1ccccc1CN TS10344 [1,1,0,0,0,0|1,0,0]=3 1243 B10R1.20 CSc1ccccc1CO TS41405 [1,1,0,0,0,0|2,0,0]=4 1244 B10R1.20 c1cc(c(nc1)CN)C=O TS06068 [1,1,0,0,0,0|2,0,0]=4 1245 B10R1.20 c1ccc(c(c1)CBr)C#N TS59504 [1,1,0,0,0,0|2,0,0]=4 1246 B10R1.20 c1ccc(c(c1)CBr)C=O TS54151 [1,1,0,0,0,0|2,0,0]=4 1247 B10R1.20 c1ccc(c(c1)CBr)CBr TS46778 [1,1,0,0,0,0|1,1,0]=4 1248 B10R1.20 c1ccc(c(c1)CCl)C#N TS41067 [1,1,0,0,0,0|0,0,2]=4 1249 B10R1.20 c1ccc(c(c1)CCl)CCl TS13625 [1,1,0,0,0,0|1,0,0]=3 1250 B10R1.20 c1ccc(c(c1)CN)C#N TS55302 [1,1,0,0,0,0|1,0,0]=3 1251 B10R1.20 c1ccc(c(c1)CO)CO TS59881 [1,1,0,0,0,0|2,0,0]=4 1252 B10R1.20 c1ccc(c(c1)CS)CS TS12901 [1,1,0,0,0,0|2,0,0]=4 1253 B10R1.25 CCc1c(cc(cn1)Br)N TS85926 [1,1,0,0,0,0|2,0,0]=4 1254 B10R1.25 CCc1ccc([nH]c1=O)C TS37106 [1,1,0,0,0,0|2,0,0]=4 1255 B10R1.25 CCc1ccc(cc1C)C TS36871 [1,1,0,0,0,0|1,0,0]=3 1256 B10R1.25 CCc1ccc(cc1O)O TS06247 [1,1,0,0,0,0|1,0,0]=3 1257 B10R1.25 CCc1ccc(nc1N)C TS06103 [1,1,0,0,0,0|2,0,0]=4 1258 B10R1.25 CCc1cnc(cc1N)C TS03292 [1,1,0,0,0,0|2,0,0]=4 1259 B10R1.25 CCn1ccc(cc1=O)Br TS92560 [1,1,0,0,0,0|2,0,0]=4 1260 B10R1.25 CCn1ccc(cc1=O)N TS88737 [1,1,0,0,0,0|2,0,0]=4 1261 B10R1.25 CNc1ccc(cc1F)F TS40063 [1,1,0,0,0,0|1,1,0]=4 1262 B10R1.25 COc1c(cc(cn1)Br)Cl TS23559 [1,1,0,0,0,0|2,0,0]=4 1263 B10R1.25 COc1ccc(cc1Br)Br TS73450 [1,1,0,0,0,0|1,1,0]=4 1264 B10R1.25 COc1ccc(cc1Br)Cl TS16842 [1,1,0,0,0,0|1,1,0]=4 1265 B10R1.25 COc1ccc(cc1Br)F TS55106 [1,1,0,0,0,0|1,1,0]=4 1266 B10R1.25 COc1ccc(cc1Cl)Br TS00004 [1,1,0,0,0,0|1,0,0]=3 1267 B10R1.25 COc1ccc(cc1Cl)Cl TS13955 [1,1,0,0,0,0|1,0,0]=3 1268 B10R1.25 COc1ccc(cc1Cl)F TS09271 [1,1,0,0,0,0|1,0,0]=3 1269 B10R1.25 COc1ccc(cc1Cl)N TS10908 [1,1,0,0,0,0|1,0,0]=3 1270 B10R1.25 COc1ccc(cc1F)Br TS60384 [1,1,0,0,0,0|1,1,0]=4 1271 B10R1.25 COc1ccc(cc1F)Cl TS39482 [1,1,0,0,0,0|1,1,0]=4 1272 B10R1.25 COc1ccc(cc1F)F TS09234 [1,1,0,0,0,0|1,1,0]=4 1273 B10R1.25 COc1ccc(cc1F)N TS02745 [1,1,0,0,0,0|1,1,0]=4 1274 B10R1.25 COc1ccc(cc1F)O TS02753 [1,1,0,0,0,0|1,1,0]=4 1275 B10R1.25 COc1ccc(cc1F)S TS10975 [1,1,0,0,0,0|1,1,0]=4 1276 B10R1.25 COc1ccc(cc1I)Cl TS39489 [1,1,0,0,0,0|1,1,0]=4 1277 B10R1.25 COc1ccc(cc1I)N TS39440 [1,1,0,0,0,0|1,1,0]=4 1278 B10R1.25 COc1ccc(cc1I)N TS54863 [1,1,0,0,0,0|1,1,0]=4 1279 B10R1.25 COc1ccc(cc1N)Br TS38194 [1,1,0,0,0,0|2,0,0]=4 1280 B10R1.25 COc1ccc(cc1N)Cl TS03051 [1,1,0,0,0,0|2,0,0]=4 1281 B10R1.25 COc1ccc(cc1N)Cl TS10909 [1,1,0,0,0,0|2,0,0]=4 1282 B10R1.25 COc1ccc(cc1N)Cl TS17765 [1,1,0,0,0,0|2,0,0]=4 1283 B10R1.25 COc1ccc(cc1N)F TS07833 [1,1,0,0,0,0|2,0,0]=4 1284 B10R1.25 COc1ccc(cc1N)I TS65363 [1,1,0,0,0,0|2,0,0]=4 1285 B10R1.25 COc1ccc(cc1N)N TS37199 [1,1,0,0,0,0|2,0,0]=4 1286 B10R1.25 COc1ccc(cc1N)N TS43949 [1,1,0,0,0,0|2,0,0]=4 1287 B10R1.25 COc1ccc(cc1N)N TS56780 [1,1,0,0,0,0|2,0,0]=4 1288 B10R1.25 COc1ccc(cc1O)Br TS85281 [1,1,0,0,0,0|2,0,0]=4 1289 B10R1.25 COc1ccc(cc1O)F TS07835 [1,1,0,0,0,0|2,0,0]=4 1290 B10R1.25 COc1ccc(cc1O)N TS37282 [1,1,0,0,0,0|2,0,0]=4 1291 B10R1.25 COc1ccc(cc1O)O TS06433 [1,1,0,0,0,0|2,0,0]=4 1292 B10R1.25 COc1ccc(cc1S)F TS10974 [1,1,0,0,0,0|2,0,0]=4 1293 B10R1.25 COc1ccc(nc1Cl)N TS85122 [1,1,0,0,0,0|2,0,0]=4 1294 B10R1.25 COc1cnc(cc1Cl)N TS86843 [1,1,0,0,0,0|2,0,0]=4 1295 B10R1.25 CSc1ccc(cc1Cl)N TS45707 [1,1,0,0,0,0|1,0,0]=3 1296 B10R1.25 Cc1c(ccc(n1)N)CN TS06202 [1,1,0,0,0,0|2,0,0]=4 1297 B10R1.25 Cc1cc(ccc1CN)Cl TS10634 [1,1,0,0,0,0|1,0,0]=3 1298 B10R1.25 Cc1cc(ccc1CN)F TS37292 [1,1,0,0,0,0|1,0,0]=3 1299 B10R1.25 Cc1cc(ccc1CO)F TS06460 [1,1,0,0,0,0|2,0,0]=4 1300 B10R1.25 Cc1cc(ccc1NN)Cl TS51589 [1,1,0,0,0,0|2,0,0]=4 1301 B10R1.25 Cc1cc(ccc1NN)F TS37376 [1,1,0,0,0,0|2,0,0]=4 1302 B10R1.25 Cc1cc(ccc1OC)Br TS38047 [1,1,0,0,0,0|2,0,0]=4 1303 B10R1.25 Cc1cc(ccc1OC)Cl TS10800 [1,1,0,0,0,0|2,0,0]=4 1304 B10R1.25 Cc1cc(ccc1OC)F TS06457 [1,1,0,0,0,0|2,0,0]=4 1305 B10R1.25 Cc1cc(ccc1OC)I TS62512 [1,1,0,0,0,0|2,0,0]=4 1306 B10R1.25 Cc1cc(ccc1OC)N TS71211 [1,1,0,0,0,0|2,0,0]=4 1307 B10R1.25 Cc1cc(ccc1SC)O TS41411 [1,1,0,0,0,0|2,0,0]=4 1308 B10R1.25 Cc1ccc(c(c1)Br)OC TS09331 [1,1,0,0,0,0|1,1,0]=4 1309 B10R1.25 Cc1ccc(c(c1)C)CBr TS54162 [1,1,0,0,0,0|2,0,0]=4 1310 B10R1.25 Cc1ccc(c(c1)C)CCl TS41471 [1,1,0,0,0,0|2,0,0]=4 1311 B10R1.25 Cc1ccc(c(c1)C)CN TS06003 [1,1,0,0,0,0|1,0,0]=3 1312 B10R1.25 Cc1ccc(c(c1)C)CO TS37015 [1,1,0,0,0,0|2,0,0]=4 1313 B10R1.25 Cc1ccc(c(c1)C)NN TS00644 [1,1,0,0,0,0|2,0,0]=4 1314 B10R1.25 Cc1ccc(c(c1)C)OC TS06090 [1,1,0,0,0,0|2,0,0]=4 1315 B10R1.25 Cc1ccc(c(c1)Cl)C#N TS55233 [1,1,0,0,0,0|0,0,2]=4 1316 B10R1.25 Cc1ccc(c(c1)Cl)NN TS08829 [1,1,0,0,0,0|1,0,0]=3 1317 B10R1.25 Cc1ccc(c(c1)Cl)OC TS41726 [1,1,0,0,0,0|1,0,0]=3 1318 B10R1.25 Cc1ccc(c(c1)F)NN TS13943 [1,1,0,0,0,0|1,1,0]=4 1319 B10R1.25 Cc1ccc(c(c1)F)OC TS06451 [1,1,0,0,0,0|1,1,0]=4 1320 B10R1.25 Cc1ccc(c(c1)I)OC TS39442 [1,1,0,0,0,0|1,1,0]=4 1321 B10R1.25 Cc1ccc(c(c1)N)OC TS06191 [1,1,0,0,0,0|2,0,0]=4 1322 B10R1.25 Cc1ccc(c(c1)O)OC TS06265 [1,1,0,0,0,0|2,0,0]=4 1323 B10R1.25 [C-]#[N+]c1ccc(cc1Cl)Br TS49173 [1,1,0,0,0,0|1,0,1]=4 1324 B10R1.25 c1c(c(cnc1Cl)CCl)Cl TS18346 [1,1,0,0,0,0|2,0,0]=4 1325 B10R1.25 c1c(c(cnc1Cl)CO)Cl TS46363 [1,1,0,0,0,0|2,0,0]=4 1326 B10R1.25 c1c(cnc(c1Cl)CO)Cl TS46364 [1,1,0,0,0,0|2,0,0]=4 1327 B10R1.25 c1c(cnc(c1Cl)NN)Cl TS46365 [1,1,0,0,0,0|2,0,0]=4 1328 B10R1.25 c1c(cnc(c1F)CN)Br TS89047 [1,1,0,0,0,0|1,1,0]=4 1329 B10R1.25 c1cc(c(cc1Br)Cl)C#N TS60048 [1,1,0,0,0,0|0,0,2]=4 1330 B10R1.25 c1cc(c(cc1Br)Cl)C=O TS00880 [1,1,0,0,0,0|1,0,1]=4 1331 B10R1.25 c1cc(c(cc1Br)F)CCl TS50366 [1,1,0,0,0,0|1,1,0]=4 1332 B10R1.25 c1cc(c(cc1Br)F)CN TS00009 [1,1,0,0,0,0|0,1,0]=3 1333 B10R1.25 c1cc(c(cc1Br)F)CN TS26597 [1,1,0,0,0,0|0,1,0]=3 1334 B10R1.25 c1cc(c(cc1Br)F)CO TS60386 [1,1,0,0,0,0|1,1,0]=4 1335 B10R1.25 c1cc(c(cc1Br)F)CS TS49908 [1,1,0,0,0,0|1,1,0]=4 1336 B10R1.25 c1cc(c(cc1Br)O)CO TS60424 [1,1,0,0,0,0|2,0,0]=4 1337 B10R1.25 c1cc(c(cc1Cl)Cl)C#N TS13096 [1,1,0,0,0,0|0,0,2]=4 1338 B10R1.25 c1cc(c(cc1Cl)Cl)C=O TS13611 [1,1,0,0,0,0|1,0,1]=4 1339 B10R1.25 c1cc(c(cc1Cl)Cl)CCl TS52075 [1,1,0,0,0,0|1,0,0]=3 1340 B10R1.25 c1cc(c(cc1Cl)Cl)CN TS46039 [1,1,0,0,0,0|0,0,0]=2 1341 B10R1.25 c1cc(c(cc1Cl)Cl)CO TS13963 [1,1,0,0,0,0|1,0,0]=3 1342 B10R1.25 c1cc(c(cc1Cl)Cl)CS TS51591 [1,1,0,0,0,0|1,0,0]=3 1343 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS45715 [1,1,0,0,0,0|1,0,1]=4 1344 B10R1.25 c1cc(c(cc1Cl)Cl)[N+]#N TS68438 [1,1,0,0,0,0|1,0,1]=4 1345 B10R1.25 c1cc(c(cc1Cl)F)CBr TS39484 [1,1,0,0,0,0|1,1,0]=4 1346 B10R1.25 c1cc(c(cc1Cl)F)CCl TS47666 [1,1,0,0,0,0|1,1,0]=4 1347 B10R1.25 c1cc(c(cc1Cl)F)CN TS18170 [1,1,0,0,0,0|0,1,0]=3 1348 B10R1.25 c1cc(c(cc1Cl)F)CN TS39485 [1,1,0,0,0,0|0,1,0]=3 1349 B10R1.25 c1cc(c(cc1Cl)F)CO TS42237 [1,1,0,0,0,0|1,1,0]=4 1350 B10R1.25 c1cc(c(cc1Cl)F)NN TS39487 [1,1,0,0,0,0|1,1,0]=4 1351 B10R1.25 c1cc(c(cc1Cl)F)NN TS42240 [1,1,0,0,0,0|1,1,0]=4 1352 B10R1.25 c1cc(c(cc1F)Br)CBr TS08318 [1,1,0,0,0,0|1,1,0]=4 1353 B10R1.25 c1cc(c(cc1F)Br)CN TS26596 [1,1,0,0,0,0|0,1,0]=3 1354 B10R1.25 c1cc(c(cc1F)Br)CO TS19894 [1,1,0,0,0,0|1,1,0]=4 1355 B10R1.25 c1cc(c(cc1F)Cl)C#N TS85439 [1,1,0,0,0,0|0,0,2]=4 1356 B10R1.25 c1cc(c(cc1F)Cl)C=O TS00884 [1,1,0,0,0,0|1,0,1]=4 1357 B10R1.25 c1cc(c(cc1F)Cl)CBr TS09272 [1,1,0,0,0,0|1,0,0]=3 1358 B10R1.25 c1cc(c(cc1F)Cl)CCl TS47667 [1,1,0,0,0,0|1,0,0]=3 1359 B10R1.25 c1cc(c(cc1F)Cl)CN TS09273 [1,1,0,0,0,0|0,0,0]=2 1360 B10R1.25 c1cc(c(cc1F)Cl)CO TS42235 [1,1,0,0,0,0|1,0,0]=3 1361 B10R1.25 c1cc(c(cc1F)Cl)NN TS18403 [1,1,0,0,0,0|1,0,0]=3 1362 B10R1.25 c1cc(c(cc1F)F)CCl TS09236 [1,1,0,0,0,0|1,1,0]=4 1363 B10R1.25 c1cc(c(cc1F)F)CN TS00632 [1,1,0,0,0,0|0,1,0]=3 1364 B10R1.25 c1cc(c(cc1F)F)CO TS09235 [1,1,0,0,0,0|1,1,0]=4 1365 B10R1.25 c1cc(c(cc1F)F)NN TS47218 [1,1,0,0,0,0|1,1,0]=4 1366 B10R1.25 c1cc(c(cc1F)F)NN TS47219 [1,1,0,0,0,0|1,1,0]=4 1367 B10R1.25 c1cc(c(cc1F)I)CBr TS76743 [1,1,0,0,0,0|1,1,0]=4 1368 B10R1.25 c1cc(c(cc1F)N)CBr TS19670 [1,1,0,0,0,0|2,0,0]=4 1369 B10R1.25 c1cc(c(cc1F)N)CCl TS11188 [1,1,0,0,0,0|2,0,0]=4 1370 B10R1.25 c1cc(c(cc1N)Cl)C#N TS39462 [1,1,0,0,0,0|0,0,2]=4 1371 B10R1.25 c1cc(c(cc1O)Cl)C#N TS09274 [1,1,0,0,0,0|0,0,2]=4 1372 B10R1.25 c1cc(c(cc1O)Cl)C=O TS10791 [1,1,0,0,0,0|1,0,1]=4 1373 B10R1.25 c1cc(c(cc1O)O)CO TS37344 [1,1,0,0,0,0|2,0,0]=4 1374 B10R1.25 c1cc(nc(c1CCl)Cl)Cl TS18344 [1,1,0,0,0,0|2,0,0]=4 1375 B10R1.25 c1cc(nc(c1CO)Cl)Cl TS91241 [1,1,0,0,0,0|2,0,0]=4 1376 B10R1.30 C=Cc1cc(ccc1Cl)Cl TS45578 [1,1,0,0,0,0|0,0,2]=4 1377 B10R1.30 CCc1c(ccc(n1)C)O TS55310 [1,1,0,0,0,0|2,0,0]=4 1378 B10R1.30 CCc1cc(ccc1C)C TS05930 [1,1,0,0,0,0|1,0,0]=3 1379 B10R1.30 CCc1cc(ccc1Cl)O TS41712 [1,1,0,0,0,0|0,0,0]=2 1380 B10R1.30 CCc1cc(ccc1I)Br TS76460 [1,1,0,0,0,0|0,1,0]=3 1381 B10R1.30 CCc1cc(ccc1N)Br TS25964 [1,1,0,0,0,0|1,0,0]=3 1382 B10R1.30 CCc1cc(ccc1N)Br TS37843 [1,1,0,0,0,0|1,0,0]=3 1383 B10R1.30 CCc1cc(ccc1N)I TS27559 [1,1,0,0,0,0|1,0,0]=3 1384 B10R1.30 CCc1cc(ccc1O)F TS37365 [1,1,0,0,0,0|1,0,0]=3 1385 B10R1.30 CCc1cc(ccc1O)O TS06259 [1,1,0,0,0,0|1,0,0]=3 1386 B10R1.30 CCc1cc(nnc1Cl)Cl TS13966 [1,1,0,0,0,0|2,0,0]=4 1387 B10R1.30 CNc1cc(cnc1Cl)Br TS08912 [1,1,0,0,0,0|2,0,0]=4 1388 B10R1.30 COC1=CC(=O)C=CC1=O TS06228 [1,1,0,0,0,0|2,0,0]=4 1389 B10R1.30 COc1cc(ccc1Br)Cl TS08813 [1,1,0,0,0,0|1,1,0]=4 1390 B10R1.30 COc1cc(ccc1Br)F TS65379 [1,1,0,0,0,0|1,1,0]=4 1391 B10R1.30 COc1cc(ccc1Br)I TS01774 [1,1,0,0,0,0|1,1,0]=4 1392 B10R1.30 COc1cc(ccc1Br)N TS00018 [1,1,0,0,0,0|1,1,0]=4 1393 B10R1.30 COc1cc(ccc1Br)O TS00019 [1,1,0,0,0,0|1,1,0]=4 1394 B10R1.30 COc1cc(ccc1Cl)Br TS39527 [1,1,0,0,0,0|1,0,0]=3 1395 B10R1.30 COc1cc(ccc1Cl)Cl TS13962 [1,1,0,0,0,0|1,0,0]=3 1396 B10R1.30 COc1cc(ccc1Cl)F TS09281 [1,1,0,0,0,0|1,0,0]=3 1397 B10R1.30 COc1cc(ccc1Cl)N TS10907 [1,1,0,0,0,0|1,0,0]=3 1398 B10R1.30 COc1cc(ccc1F)Br TS19895 [1,1,0,0,0,0|1,1,0]=4 1399 B10R1.30 COc1cc(ccc1F)F TS65344 [1,1,0,0,0,0|1,1,0]=4 1400 B10R1.30 COc1cc(ccc1N)Br TS70959 [1,1,0,0,0,0|2,0,0]=4 1401 B10R1.30 COc1cc(ccc1N)F TS93806 [1,1,0,0,0,0|2,0,0]=4 1402 B10R1.30 COc1cc(ccc1N)N TS56779 [1,1,0,0,0,0|2,0,0]=4 1403 B10R1.30 COc1cc(ccc1O)Br TS29434 [1,1,0,0,0,0|2,0,0]=4 1404 B10R1.30 COc1cc(ccc1O)Cl TS11084 [1,1,0,0,0,0|2,0,0]=4 1405 B10R1.30 COc1cc(ccc1O)F TS37549 [1,1,0,0,0,0|2,0,0]=4 1406 B10R1.30 COc1cc(ccc1O)O TS37335 [1,1,0,0,0,0|2,0,0]=4 1407 B10R1.30 Cc1ccc(c(c1)C#N)Cl TS41071 [1,1,0,0,0,0|0,0,2]=4 1408 B10R1.30 Cc1ccc(c(c1)CBr)C TS18767 [1,1,0,0,0,0|2,0,0]=4 1409 B10R1.30 Cc1ccc(c(c1)CCl)C TS41473 [1,1,0,0,0,0|2,0,0]=4 1410 B10R1.30 Cc1ccc(c(c1)CN)C TS36943 [1,1,0,0,0,0|1,0,0]=3 1411 B10R1.30 Cc1ccc(c(c1)CO)C TS06089 [1,1,0,0,0,0|2,0,0]=4 1412 B10R1.30 Cc1ccc(c(c1)NN)C TS47277 [1,1,0,0,0,0|2,0,0]=4 1413 B10R1.30 Cc1ccc(c(c1)OC)Br TS38050 [1,1,0,0,0,0|1,1,0]=4 1414 B10R1.30 Cc1ccc(c(c1)OC)C TS37019 [1,1,0,0,0,0|2,0,0]=4 1415 B10R1.30 Cc1ccc(c(c1)OC)F TS06454 [1,1,0,0,0,0|1,1,0]=4 1416 B10R1.30 Cc1ccc(c(c1)OC)O TS03117 [1,1,0,0,0,0|2,0,0]=4 1417 B10R1.30 Cc1ccc(cc1CBr)F TS07836 [1,1,0,0,0,0|2,0,0]=4 1418 B10R1.30 Cc1ccc(cc1CCl)F TS07837 [1,1,0,0,0,0|2,0,0]=4 1419 B10R1.30 Cc1ccc(cc1CN)F TS37290 [1,1,0,0,0,0|1,0,0]=3 1420 B10R1.30 Cc1ccc(cc1CO)F TS37367 [1,1,0,0,0,0|2,0,0]=4 1421 B10R1.30 Cc1ccc(cc1NN)Br TS56990 [1,1,0,0,0,0|2,0,0]=4 1422 B10R1.30 Cc1ccc(cc1NN)F TS03301 [1,1,0,0,0,0|2,0,0]=4 1423 B10R1.30 Cc1ccc(cc1OC)Cl TS41720 [1,1,0,0,0,0|2,0,0]=4 1424 B10R1.30 Cc1ccc(cc1OC)F TS06455 [1,1,0,0,0,0|2,0,0]=4 1425 B10R1.30 Cc1ccc(cc1OC)N TS59695 [1,1,0,0,0,0|2,0,0]=4 1426 B10R1.30 c1c(cnc(c1CN)F)Br TS87183 [1,1,0,0,0,0|1,1,0]=4 1427 B10R1.30 c1c(cnc(c1CO)Cl)Br TS23561 [1,1,0,0,0,0|2,0,0]=4 1428 B10R1.30 c1c(cnc(c1CO)Cl)Cl TS59926 [1,1,0,0,0,0|2,0,0]=4 1429 B10R1.30 c1c(cnc(c1CO)Cl)F TS07715 [1,1,0,0,0,0|2,0,0]=4 1430 B10R1.30 c1cc(c(cc1Br)C#N)Cl TS16983 [1,1,0,0,0,0|0,0,2]=4 1431 B10R1.30 c1cc(c(cc1Br)C=O)Cl TS16982 [1,1,0,0,0,0|1,0,1]=4 1432 B10R1.30 c1cc(c(cc1Br)CBr)F TS30472 [1,1,0,0,0,0|1,1,0]=4 1433 B10R1.30 c1cc(c(cc1Br)CN)F TS26595 [1,1,0,0,0,0|0,1,0]=3 1434 B10R1.30 c1cc(c(cc1Br)CO)Cl TS39528 [1,1,0,0,0,0|1,0,0]=3 1435 B10R1.30 c1cc(c(cc1Br)CO)F TS16783 [1,1,0,0,0,0|1,1,0]=4 1436 B10R1.30 c1cc(c(cc1Br)CO)O TS71432 [1,1,0,0,0,0|2,0,0]=4 1437 B10R1.30 c1cc(c(cc1Cl)C#N)Cl TS13098 [1,1,0,0,0,0|0,0,2]=4 1438 B10R1.30 c1cc(c(cc1Cl)C=O)Cl TS47258 [1,1,0,0,0,0|1,0,1]=4 1439 B10R1.30 c1cc(c(cc1Cl)CBr)Cl TS26440 [1,1,0,0,0,0|1,0,0]=3 1440 B10R1.30 c1cc(c(cc1Cl)CBr)F TS09843 [1,1,0,0,0,0|1,1,0]=4 1441 B10R1.30 c1cc(c(cc1Cl)CCl)Cl TS52072 [1,1,0,0,0,0|1,0,0]=3 1442 B10R1.30 c1cc(c(cc1Cl)CN)Cl TS46041 [1,1,0,0,0,0|0,0,0]=2 1443 B10R1.30 c1cc(c(cc1Cl)CN)F TS09842 [1,1,0,0,0,0|0,1,0]=3 1444 B10R1.30 c1cc(c(cc1Cl)CN)N TS41734 [1,1,0,0,0,0|1,0,0]=3 1445 B10R1.30 c1cc(c(cc1Cl)CN)O TS08940 [1,1,0,0,0,0|1,0,0]=3 1446 B10R1.30 c1cc(c(cc1Cl)CO)Cl TS13961 [1,1,0,0,0,0|1,0,0]=3 1447 B10R1.30 c1cc(c(cc1Cl)CO)F TS42239 [1,1,0,0,0,0|1,1,0]=4 1448 B10R1.30 c1cc(c(cc1Cl)CO)O TS11082 [1,1,0,0,0,0|2,0,0]=4 1449 B10R1.30 c1cc(c(cc1Cl)NN)Cl TS21554 [1,1,0,0,0,0|1,0,0]=3 1450 B10R1.30 c1cc(c(cc1Cl)NN)F TS07822 [1,1,0,0,0,0|1,1,0]=4 1451 B10R1.30 c1cc(c(cc1F)C#N)Cl TS22995 [1,1,0,0,0,0|0,0,2]=4 1452 B10R1.30 c1cc(c(cc1F)C=O)Cl TS55244 [1,1,0,0,0,0|1,0,1]=4 1453 B10R1.30 c1cc(c(cc1F)CBr)Br TS65380 [1,1,0,0,0,0|1,1,0]=4 1454 B10R1.30 c1cc(c(cc1F)CBr)Cl TS50367 [1,1,0,0,0,0|1,0,0]=3 1455 B10R1.30 c1cc(c(cc1F)CCl)Br TS65381 [1,1,0,0,0,0|1,1,0]=4 1456 B10R1.30 c1cc(c(cc1F)CN)Br TS65382 [1,1,0,0,0,0|0,1,0]=3 1457 B10R1.30 c1cc(c(cc1F)CN)Cl TS09283 [1,1,0,0,0,0|0,0,0]=2 1458 B10R1.30 c1cc(c(cc1F)CN)F TS65347 [1,1,0,0,0,0|0,1,0]=3 1459 B10R1.30 c1cc(c(cc1F)CN)N TS37378 [1,1,0,0,0,0|1,0,0]=3 1460 B10R1.30 c1cc(c(cc1F)CO)Br TS65410 [1,1,0,0,0,0|1,1,0]=4 1461 B10R1.30 c1cc(c(cc1F)CO)Cl TS60277 [1,1,0,0,0,0|1,0,0]=3 1462 B10R1.30 c1cc(c(cc1F)CO)F TS65346 [1,1,0,0,0,0|1,1,0]=4 1463 B10R1.30 c1cc(c(cc1F)CO)N TS06576 [1,1,0,0,0,0|2,0,0]=4 1464 B10R1.30 c1cc(c(cc1F)C[Zn+])F TS33416 [1,1,0,0,0,0|1,1,0]=4 1465 B10R1.30 c1cc(c(cc1N)C#N)Cl TS41208 [1,1,0,0,0,0|0,0,2]=4 1466 B10R1.30 c1cc(c(cc1N)CN)F TS37377 [1,1,0,0,0,0|0,1,0]=3 1467 B10R1.30 c1cc(c(cc1N)CN)O TS43947 [1,1,0,0,0,0|1,0,0]=3 1468 B10R1.61 B(c1ccccc1Cl)(O)O TS00951 [1,1,0,0,0,0|2,0,0]=4 1469 B10R1.61 CC(=C)c1ccccc1N TS36780 [1,1,0,0,0,0|1,0,1]=4 1470 B10R1.61 CC(=O)c1c(cccn1)Cl TS90062 [1,1,0,0,0,0|1,0,1]=4 1471 B10R1.61 CC(=O)c1ccccc1Br TS54149 [1,1,0,0,0,0|0,1,1]=4 1472 B10R1.61 CC(=O)c1ccccc1Cl TS39571 [1,1,0,0,0,0|0,0,1]=3 1473 B10R1.61 CC(=O)c1ccccc1F TS37171 [1,1,0,0,0,0|0,1,1]=4 1474 B10R1.61 CC(=O)c1ccccc1I TS62238 [1,1,0,0,0,0|0,1,1]=4 1475 B10R1.61 CC(=O)c1ccccc1O TS01063 [1,1,0,0,0,0|1,0,1]=4 1476 B10R1.61 CC(=O)c1cccnc1Cl TS10617 [1,1,0,0,0,0|1,0,1]=4 1477 B10R1.61 CC(C)c1ccccc1Br TS46918 [1,1,0,0,0,0|0,1,0]=3 1478 B10R1.61 CC(C)c1ccccc1F TS06286 [1,1,0,0,0,0|0,1,0]=3 1479 B10R1.61 CC(C)c1ccccc1I TS27403 [1,1,0,0,0,0|0,1,0]=3 1480 B10R1.61 CC(C)c1ccccc1N TS06016 [1,1,0,0,0,0|1,0,0]=3 1481 B10R1.61 CC(C)c1ccccc1O TS06094 [1,1,0,0,0,0|1,0,0]=3 1482 B10R1.61 CC(C)c1ccccc1S TS41199 [1,1,0,0,0,0|1,0,0]=3 1483 B10R1.61 CC(C)c1ccccc1[Zn+] TS60954 [1,1,0,0,0,0|1,0,0]=3 1484 B10R1.61 CC(c1c(cccn1)F)O TS06577 [1,1,0,0,0,0|1,1,0]=4 1485 B10R1.61 CC(c1ccccc1Br)O TS38045 [1,1,0,0,0,0|0,1,0]=3 1486 B10R1.61 CC(c1ccccc1Cl)N TS10635 [1,1,0,0,0,0|0,0,0]=2 1487 B10R1.61 CC(c1ccccc1Cl)O TS41730 [1,1,0,0,0,0|0,0,0]=2 1488 B10R1.61 CC(c1ccccc1F)N TS37297 [1,1,0,0,0,0|0,1,0]=3 1489 B10R1.61 CC(c1ccccc1F)O TS08150 [1,1,0,0,0,0|0,1,0]=3 1490 B10R1.61 CC(c1cccnc1Br)N TS19152 [1,1,0,0,0,0|1,1,0]=4 1491 B10R1.61 CC(c1cccnc1N)O TS37203 [1,1,0,0,0,0|2,0,0]=4 1492 B10R1.61 CN(C)c1ccccc1Br TS37850 [1,1,0,0,0,0|1,1,0]=4 1493 B10R1.61 CN(C)c1ccccc1Cl TS10629 [1,1,0,0,0,0|1,0,0]=3 1494 B10R1.61 CN(C)c1ccccc1F TS37299 [1,1,0,0,0,0|1,1,0]=4 1495 B10R1.61 CS(=O)c1ccccc1O TS41630 [1,1,0,0,0,0|2,0,0]=4 1496 B10R1.61 C[C@@H](c1ccccc1Br)O TS38041 [1,1,0,0,0,0|0,1,0]=3 1497 B10R1.61 C[C@@H](c1ccccc1Cl)O TS41717 [1,1,0,0,0,0|0,0,0]=2 1498 B10R1.61 C[C@@H](c1ccccc1F)N TS08101 [1,1,0,0,0,0|0,1,0]=3 1499 B10R1.61 C[C@@H](c1ccccc1F)O TS06459 [1,1,0,0,0,0|0,1,0]=3 1500 B10R1.61 C[C@H](c1ccccc1Cl)N TS51402 [1,1,0,0,0,0|0,0,0]=2 1501 B10R1.61 C[C@H](c1ccccc1Cl)O TS10795 [1,1,0,0,0,0|0,0,0]=2 1502 B10R1.61 C[C@H](c1ccccc1F)N TS08914 [1,1,0,0,0,0|0,1,0]=3 1503 B10R1.61 C[C@H](c1ccccc1F)O TS37366 [1,1,0,0,0,0|0,1,0]=3 1504 B10R1.61 Cc1ccccc1C(=C)C TS05768 [1,1,0,0,0,0|1,0,1]=4 1505 B10R1.61 Cc1ccccc1C(=N)N TS12937 [1,1,0,0,0,0|1,0,1]=4 1506 B10R1.61 Cc1ccccc1C(=O)C TS36852 [1,1,0,0,0,0|1,0,1]=4 1507 B10R1.61 Cc1ccccc1C(=O)N TS36917 [1,1,0,0,0,0|1,0,1]=4 1508 B10R1.61 Cc1ccccc1C(=S)N TS41052 [1,1,0,0,0,0|1,0,1]=4 1509 B10R1.61 Cc1ccccc1C(C)N TS36951 [1,1,0,0,0,0|1,0,0]=3 1510 B10R1.61 Cc1ccccc1C(C)O TS37021 [1,1,0,0,0,0|1,0,0]=3 1511 B10R1.61 Cc1ccccc1N(C)C TS06004 [1,1,0,0,0,0|2,0,0]=4 1512 B10R1.61 Cc1ccccc1[C@@H](C)N TS45398 [1,1,0,0,0,0|1,0,0]=3 1513 B10R1.61 Cc1ccccc1[C@H](C)N TS45395 [1,1,0,0,0,0|1,0,0]=3 1514 B10R1.61 c1cc(c(nc1)Cl)C(=N)N TS10626 [1,1,0,0,0,0|1,0,1]=4 1515 B10R1.61 c1cc(c(nc1)Cl)C(=O)N TS00077 [1,1,0,0,0,0|1,0,1]=4 1516 B10R1.61 c1ccc(c(c1)C(=N)N)F TS01020 [1,1,0,0,0,0|0,1,1]=4 1517 B10R1.61 c1ccc(c(c1)C(=O)Cl)Cl TS13613 [1,1,0,0,0,0|1,0,1]=4 1518 B10R1.61 c1ccc(c(c1)C(=O)N)Br TS18931 [1,1,0,0,0,0|0,1,1]=4 1519 B10R1.61 c1ccc(c(c1)C(=O)N)Cl TS41556 [1,1,0,0,0,0|0,0,1]=3 1520 B10R1.61 c1ccc(c(c1)C(=O)N)F TS37265 [1,1,0,0,0,0|0,1,1]=4 1521 B10R1.61 c1ccc(c(c1)C(=O)N)I TS62383 [1,1,0,0,0,0|0,1,1]=4 1522 B10R1.61 c1ccc(c(c1)C(=O)N)N TS06064 [1,1,0,0,0,0|1,0,1]=4 1523 B10R1.61 c1ccc(c(c1)C(=O)N)O TS37091 [1,1,0,0,0,0|1,0,1]=4 1524 B10R1.61 c1ccc(c(c1)C(=O)O)Cl TS00073 [1,1,0,0,0,0|1,0,1]=4 1525 B10R1.61 c1ccc(c(c1)C(=S)N)Br TS21981 [1,1,0,0,0,0|0,1,1]=4 1526 B10R1.61 c1ccc(c(c1)C(=S)N)Cl TS45393 [1,1,0,0,0,0|0,0,1]=3 1527 B10R1.61 c1ccc(c(c1)C(=S)N)F TS41513 [1,1,0,0,0,0|0,1,1]=4 1528 B10R1.61 c1ccc(c(c1)C(=S)N)N TS41176 [1,1,0,0,0,0|1,0,1]=4 1529 B10R1.61 c1ccc(c(c1)C(=S)N)O TS41285 [1,1,0,0,0,0|1,0,1]=4 1530 B10R1.61 c1ccc(c(c1)C(Cl)Cl)F TS47662 [1,1,0,0,0,0|1,1,0]=4 1531 B10R1.61 c1ccc(c(c1)C(F)F)Br TS59895 [1,1,0,0,0,0|1,1,0]=4 1532 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Cl TS41833 [1,1,0,0,0,0|2,0,0]=4 1533 B10R1.245 C=Cc1c(cccc1Cl)Cl TS13296 [1,1,0,0,0,0|0,0,2]=4 1534 B10R1.245 CCc1c(cccc1C)C TS36867 [1,1,0,0,0,0|1,0,0]=3 1535 B10R1.245 CNc1c(cccc1F)F TS93898 [1,1,0,0,0,0|1,1,0]=4 1536 B10R1.245 COc1c(cccc1Br)Br TS65354 [1,1,0,0,0,0|1,1,0]=4 1537 B10R1.245 COc1c(cccc1Br)F TS65034 [1,1,0,0,0,0|1,1,0]=4 1538 B10R1.245 COc1c(cccc1Cl)Cl TS13957 [1,1,0,0,0,0|1,0,0]=3 1539 B10R1.245 COc1c(cccc1Cl)F TS42231 [1,1,0,0,0,0|1,0,0]=3 1540 B10R1.245 COc1c(cccc1F)F TS09248 [1,1,0,0,0,0|1,1,0]=4 1541 B10R1.245 COc1c(cccc1F)N TS70568 [1,1,0,0,0,0|1,1,0]=4 1542 B10R1.245 COc1c(cccc1I)F TS65422 [1,1,0,0,0,0|1,1,0]=4 1543 B10R1.245 COc1c(cccc1O)O TS37340 [1,1,0,0,0,0|2,0,0]=4 1544 B10R1.245 Cc1c(c(ccn1)Cl)OC TS87868 [1,1,0,0,0,0|2,0,0]=4 1545 B10R1.245 Cc1cccc(c1C=O)Cl TS02145 [1,1,0,0,0,0|1,0,1]=4 1546 B10R1.245 Cc1cccc(c1CBr)C TS47325 [1,1,0,0,0,0|2,0,0]=4 1547 B10R1.245 Cc1cccc(c1CCl)C TS47326 [1,1,0,0,0,0|2,0,0]=4 1548 B10R1.245 Cc1cccc(c1CN)C TS36957 [1,1,0,0,0,0|1,0,0]=3 1549 B10R1.245 Cc1cccc(c1CO)C TS06075 [1,1,0,0,0,0|2,0,0]=4 1550 B10R1.245 Cc1cccc(c1NN)C TS13272 [1,1,0,0,0,0|2,0,0]=4 1551 B10R1.245 Cc1cccc(c1OC)C TS09255 [1,1,0,0,0,0|2,0,0]=4 1552 B10R1.245 Cc1cccc(c1SC)C TS41197 [1,1,0,0,0,0|2,0,0]=4 1553 B10R1.245 c1c(c(c(cn1)Cl)NN)Cl TS46366 [1,1,0,0,0,0|2,0,0]=4 1554 B10R1.245 c1cc(c(c(c1)Br)CBr)Cl TS08815 [1,1,0,0,0,0|1,0,0]=3 1555 B10R1.245 c1cc(c(c(c1)Br)CBr)F TS30473 [1,1,0,0,0,0|1,1,0]=4 1556 B10R1.245 c1cc(c(c(c1)Br)CO)F TS19892 [1,1,0,0,0,0|1,1,0]=4 1557 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl TS13099 [1,1,0,0,0,0|0,0,2]=4 1558 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl TS93133 [1,1,0,0,0,0|0,0,2]=4 1559 B10R1.245 c1cc(c(c(c1)Cl)C#N)F TS65402 [1,1,0,0,0,0|0,0,2]=4 1560 B10R1.245 c1cc(c(c(c1)Cl)C#N)N TS41214 [1,1,0,0,0,0|0,0,2]=4 1561 B10R1.245 c1cc(c(c(c1)Cl)C#N)O TS87990 [1,1,0,0,0,0|0,0,2]=4 1562 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl TS47296 [1,1,0,0,0,0|1,0,1]=4 1563 B10R1.245 c1cc(c(c(c1)Cl)C=O)F TS55255 [1,1,0,0,0,0|1,0,1]=4 1564 B10R1.245 c1cc(c(c(c1)Cl)C=O)O TS55262 [1,1,0,0,0,0|1,0,1]=4 1565 B10R1.245 c1cc(c(c(c1)Cl)CBr)Cl TS65356 [1,1,0,0,0,0|1,0,0]=3 1566 B10R1.245 c1cc(c(c(c1)Cl)CBr)F TS65404 [1,1,0,0,0,0|1,0,0]=3 1567 B10R1.245 c1cc(c(c(c1)Cl)CCl)Cl TS52073 [1,1,0,0,0,0|1,0,0]=3 1568 B10R1.245 c1cc(c(c(c1)Cl)CCl)F TS47664 [1,1,0,0,0,0|1,0,0]=3 1569 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl TS13766 [1,1,0,0,0,0|0,0,0]=2 1570 B10R1.245 c1cc(c(c(c1)Cl)CN)F TS11186 [1,1,0,0,0,0|0,0,0]=2 1571 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl TS47300 [1,1,0,0,0,0|1,0,0]=3 1572 B10R1.245 c1cc(c(c(c1)Cl)CO)F TS65403 [1,1,0,0,0,0|1,0,0]=3 1573 B10R1.245 c1cc(c(c(c1)Cl)CS)F TS46193 [1,1,0,0,0,0|1,0,0]=3 1574 B10R1.245 c1cc(c(c(c1)Cl)NN)Cl TS59932 [1,1,0,0,0,0|1,0,0]=3 1575 B10R1.245 c1cc(c(c(c1)Cl)NN)F TS42241 [1,1,0,0,0,0|1,0,0]=3 1576 B10R1.245 c1cc(c(c(c1)F)CBr)F TS34656 [1,1,0,0,0,0|1,1,0]=4 1577 B10R1.245 c1cc(c(c(c1)F)CCl)F TS09249 [1,1,0,0,0,0|1,1,0]=4 1578 B10R1.245 c1cc(c(c(c1)F)CN)F TS34655 [1,1,0,0,0,0|0,1,0]=3 1579 B10R1.245 c1cc(c(c(c1)F)CO)F TS59510 [1,1,0,0,0,0|1,1,0]=4 1580 B10R1.245 c1cc(c(c(c1)F)C[Zn+])F TS33415 [1,1,0,0,0,0|1,1,0]=4 1581 B10R1.245 c1cc(c(c(c1)F)NN)F TS09250 [1,1,0,0,0,0|1,1,0]=4 1582 B10R1.245 c1cc(c(c(c1)F)NN)F TS47308 [1,1,0,0,0,0|1,1,0]=4 1583 B10R1.245 c1cnc(c(c1I)CO)Cl TS07710 [1,1,0,0,0,0|2,0,0]=4 1584 B10R1.187 C1=CC(=O)N(C1=O)CCN TS63343 [0,1,0,0,1,0|2,0,0]=4 1585 B12R1.25 CCCOc1cccc(c1F)F TS13133 [0,2,0,0,0,0|1,1,0]=4 1586 B12R1.25 c1cc(c(c(c1)F)F)CCC#N TS43192 [0,2,0,0,0,0|0,1,1]=4 1587 B12R1.224 c1cc(c(c(c1)Cl)Cl)CC(=O)O TS19896 [0,2,0,0,0,0|1,0,1]=4 1588 B12R1.224 c1cc(c(c(c1)Cl)Cl)NC(=O)N TS38738 [0,2,0,0,0,0|1,0,1]=4 1589 B12R1.224 c1cc(c(c(c1)Cl)Cl)NC(=S)N TS23234 [0,2,0,0,0,0|1,0,1]=4 1590 B12R1.497 c1cc(c(c(c1N)CCO)F)F TS45593 [0,2,0,0,0,0|1,1,0]=4 1591 B12R1.69 C#CCOc1ccc(cc1Cl)Cl TS19150 [0,2,0,0,0,0|1,0,1]=4 1592 B12R1.69 CCNCc1ccc(cc1Cl)Cl TS38534 [0,2,0,0,0,0|1,0,0]=3 1593 B12R1.69 Cc1ccc(c(c1)C)SCCO TS15030 [0,2,0,0,0,0|2,0,0]=4 1594 B12R1.69 c1cc(c(cc1Cl)Cl)CN=C=S TS22329 [0,2,0,0,0,0|1,0,1]=4 1595 B12R1.69 c1cc(c(cc1Cl)Cl)OCC#N TS19306 [0,2,0,0,0,0|0,0,2]=4 1596 B12R1.69 c1cc(c(cc1Cl)Cl)OCCBr TS30736 [0,2,0,0,0,0|1,0,0]=3 1597 B12R1.69 c1cc(c(cc1Cl)Cl)OCCO TS39137 [0,2,0,0,0,0|1,0,0]=3 1598 B12R1.69 c1cc(c(cc1Cl)Cl)SCC#N TS22333 [0,2,0,0,0,0|0,0,2]=4 1599 B12R1.69 c1cc(c(cc1F)F)CCC#N TS43193 [0,2,0,0,0,0|0,1,1]=4 1600 B12R1.69 c1cc(c(cc1N)N)OCCO TS73503 [0,2,0,0,0,0|2,0,0]=4 1601 B12R1.121 CCCOc1ccccc1C=O TS42729 [0,2,0,0,0,0|2,0,0]=4 1602 B12R1.121 CCc1ccccc1OCCBr TS24684 [0,2,0,0,0,0|2,0,0]=4 1603 B12R1.121 CNCCc1ccccc1CO TS12075 [0,2,0,0,0,0|1,0,0]=3 1604 B12R1.121 COc1ccccc1CCCN TS42943 [0,2,0,0,0,0|1,0,0]=3 1605 B12R1.121 COc1ccccc1CCCO TS43116 [0,2,0,0,0,0|2,0,0]=4 1606 B12R1.121 COc1ccccc1OCCBr TS25021 [0,2,0,0,0,0|2,0,0]=4 1607 B12R1.121 COc1ccccc1OCCCl TS49005 [0,2,0,0,0,0|2,0,0]=4 1608 B12R1.121 c1ccc(c(c1)C=O)OCCBr TS52781 [0,2,0,0,0,0|2,0,0]=4 1609 B12R1.121 c1ccc(c(c1)C=O)OCCO TS43038 [0,2,0,0,0,0|2,0,0]=4 1610 B12R1.125 Cc1ccccc1CCC(=O)O TS11858 [0,2,0,0,0,0|2,0,0]=4 1611 B12R1.125 Cc1ccccc1OCC(C)O TS12256 [0,2,0,0,0,0|2,0,0]=4 1612 B12R1.125 c1ccc(c(c1)CCC(=O)N)O TS42899 [0,2,0,0,0,0|1,0,0]=3 1613 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br TS65670 [0,2,0,0,0,0|1,1,0]=4 1614 B12R1.125 c1ccc(c(c1)CCC(=O)O)Cl TS15380 [0,2,0,0,0,0|1,0,0]=3 1615 B12R1.125 c1ccc(c(c1)CCC(=O)O)F TS00179 [0,2,0,0,0,0|1,1,0]=4 1616 B12R1.125 c1ccc(c(c1)CCC(=O)O)I TS31068 [0,2,0,0,0,0|1,1,0]=4 1617 B12R1.125 c1ccc(c(c1)CCC(=O)O)O TS43049 [0,2,0,0,0,0|2,0,0]=4 1618 B12R1.125 c1ccc(c(c1)COC(=O)Cl)Cl TS19899 [0,2,0,0,0,0|1,0,1]=4 1619 B12R1.125 c1ccc(c(c1)NCC(=O)O)Cl TS93284 [0,2,0,0,0,0|1,0,1]=4 1620 B12R1.125 c1ccc(c(c1)NNC(=S)N)Cl TS38179 [0,2,0,0,0,0|1,0,1]=4 1621 B12R1.125 c1ccc(c(c1)OCC(=N)N)Cl TS49904 [0,2,0,0,0,0|0,0,1]=3 1622 B12R1.125 c1ccc(c(c1)OCC(=O)N)Cl TS15513 [0,2,0,0,0,0|0,0,1]=3 1623 B12R1.125 c1ccc(c(c1)OCC(=O)O)Cl TS15709 [0,2,0,0,0,0|1,0,1]=4 1624 B12R1.267 C=CCOCc1ccccc1Br TS52461 [0,2,0,0,0,0|1,1,0]=4 1625 B12R1.267 CCNCCc1ccccc1F TS12407 [0,2,0,0,0,0|0,1,0]=3 1626 B12R1.267 Cc1ccccc1OCCCBr TS24686 [0,2,0,0,0,0|2,0,0]=4 1627 B12R1.267 c1ccc(c(c1)N)SCCC#N TS14262 [0,2,0,0,0,0|1,0,1]=4 1628 B12R1.267 c1ccc(c(c1)NCCC#N)Cl TS48019 [0,2,0,0,0,0|0,0,1]=3 1629 B12R1.267 c1ccc(c(c1)OCCCBr)Br TS58443 [0,2,0,0,0,0|1,1,0]=4 1630 B12R1.308 CCCC(=O)c1ccccc1O TS42728 [0,2,0,0,0,0|2,0,0]=4 1631 B12R1.308 CCCC(C)c1ccccc1O TS42783 [0,2,0,0,0,0|2,0,0]=4 1632 B12R1.308 CCOC(=O)c1ccccc1Cl TS15373 [0,2,0,0,0,0|1,0,1]=4 1633 B12R1.308 c1ccc(c(c1)C(=O)CC#N)Cl TS55274 [0,2,0,0,0,0|0,0,2]=4 1634 B12R1.308 c1ccc(c(c1)C(CCO)N)Cl TS48804 [0,2,0,0,0,0|1,0,0]=3 1635 B12R1.308 c1ccc(c(c1)C(CCO)N)N TS43120 [0,2,0,0,0,0|2,0,0]=4 1636 B12R1.371 CNC(=O)Oc1ccccc1Cl TS15517 [0,2,0,0,0,0|1,0,1]=4 1637 B12R1.371 c1ccc(c(c1)CC(=O)NN)Cl TS48674 [0,2,0,0,0,0|0,0,1]=3 1638 B12R1.371 c1ccc(c(c1)NC(=O)CBr)Cl TS62636 [0,2,0,0,0,0|1,0,1]=4 1639 B12R1.371 c1ccc(c(c1)NC(=O)CCl)Cl TS19680 [0,2,0,0,0,0|1,0,1]=4 1640 B12R1.371 c1ccc(c(c1)NC(=O)NN)Cl TS48797 [0,2,0,0,0,0|1,0,1]=4 1641 B12R1.374 Cc1ccc(c(c1)SCCO)C TS15031 [0,2,0,0,0,0|2,0,0]=4 1642 B12R1.1631 CCNCc1c(cccc1Cl)F TS50629 [0,2,0,0,0,0|1,0,0]=3 1643 B12R1.1631 Cc1cccc(c1SCCO)C TS15032 [0,2,0,0,0,0|2,0,0]=4 1644 B12R1.1631 [C-]#[N+]CCc1c(cccc1Cl)Cl TS37841 [0,2,0,0,0,0|0,0,1]=3 1645 B12R1.1631 c1cc(c(c(c1)Cl)CSC#N)Cl TS22330 [0,2,0,0,0,0|0,0,2]=4 1646 B12R1.1631 c1cc(c(c(c1)Cl)OCC#N)Cl TS19305 [0,2,0,0,0,0|0,0,2]=4 1647 B12R1.75 CC(Cc1ccccc1OC)N TS39991 [0,2,0,0,0,0|1,0,0]=3 1648 B12R1.75 COc1ccccc1CC(=O)N TS12009 [0,2,0,0,0,0|1,0,1]=4 1649 B12R1.75 c1ccc(c(c1)CC(=O)O)CCl TS00231 [0,2,0,0,0,0|1,0,1]=4 1650 B12R1.77 COc1ccccc1C(CN)O TS38513 [0,2,0,0,0,0|1,0,0]=3 1651 B12R1.169 CCCc1ccccc1N=C=O TS11405 [0,2,0,0,0,0|2,0,0]=4 1652 B12R1.169 CCOc1ccccc1CCN TS42936 [0,2,0,0,0,0|1,0,0]=3 1653 B12R1.268 COc1ccc(cc1CCN)Br TS76464 [0,2,0,0,0,0|1,0,0]=3 1654 B12R1.268 COc1ccc(cc1CCN)F TS38898 [0,2,0,0,0,0|1,0,0]=3 1655 B12R1.283 B(c1ccccc1CCBr)(O)O TS52757 [0,2,0,0,0,0|2,0,0]=4 1656 B12R1.283 CCCc1ccccc1[N+](=O)[O-] TS12023 [0,2,0,0,0,0|2,0,0]=4 1657 B12R1.283 CCOc1ccccc1C(=O)Cl TS15376 [0,2,0,0,0,0|2,0,0]=4 1658 B12R1.283 CN(C)c1ccccc1CNN TS57048 [0,2,0,0,0,0|2,0,0]=4 1659 B12R1.283 c1ccc(c(c1)CCBr)[N+](=O)[O-] TS24817 [0,2,0,0,0,0|2,0,0]=4 1660 B12R1.283 c1ccc(c(c1)CCN)[N+](=O)[O-] TS38353 [0,2,0,0,0,0|1,0,0]=3 1661 B12R1.283 c1ccc(c(c1)CCN)[N+](=O)[O-] TS43072 [0,2,0,0,0,0|1,0,0]=3 1662 B12R1.283 c1ccc(c(c1)CCO)[N+](=O)[O-] TS09394 [0,2,0,0,0,0|2,0,0]=4 1663 B12R1.114 COc1ccc(c(c1)Cl)CC#N TS14845 [0,2,0,0,0,0|0,0,2]=4 1664 B12R1.233 CC(=O)Cc1ccc(cc1Cl)Cl TS19514 [0,2,0,0,0,0|1,0,1]=4 1665 B12R1.233 CC(=O)Cc1ccc(cc1Cl)F TS48999 [0,2,0,0,0,0|1,0,1]=4 1666 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)Cl TS50369 [0,2,0,0,0,0|1,0,1]=4 1667 B12R1.233 c1cc(c(cc1Cl)Cl)CC(=O)O TS19904 [0,2,0,0,0,0|1,0,1]=4 1668 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=O)N TS38744 [0,2,0,0,0,0|1,0,1]=4 1669 B12R1.233 c1cc(c(cc1Cl)Cl)NC(=S)N TS23236 [0,2,0,0,0,0|1,0,1]=4 1670 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O TS55214 [0,2,0,0,0,0|1,0,1]=4 1671 B12R1.233 c1cc(c(cc1F)Cl)CC(=S)N TS38504 [0,2,0,0,0,0|0,0,1]=3 1672 B12R1.233 c1cc(c(cc1F)F)CC(=N)N TS45102 [0,2,0,0,0,0|0,1,1]=4 1673 B12R1.1095 Cc1cc(c(c(c1)C)CCO)C TS42803 [0,2,0,0,0,0|2,0,0]=4 1674 B12R1.1123 c1c(c(cc(c1F)F)F)CCO TS13782 [0,2,0,0,0,0|1,1,0]=4 1675 B12R1.1123 c1c(c(cc(c1O)O)O)CCN TS27983 [0,2,0,0,0,0|1,0,0]=3 1676 B12R1.1123 c1c(c(cc(c1O)O)O)CCN TS38879 [0,2,0,0,0,0|1,0,0]=3 1677 B12R1.1703 CCC(=O)c1ccc(cc1Cl)Cl TS19507 [0,2,0,0,0,0|1,0,1]=4 1678 B12R1.1703 c1cc(c(cc1Br)Cl)C(=O)NN TS27949 [0,2,0,0,0,0|1,0,1]=4 1679 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CBr TS30478 [0,2,0,0,0,0|1,0,1]=4 1680 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CCl TS50371 [0,2,0,0,0,0|1,0,1]=4 1681 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS26600 [0,2,0,0,0,0|0,0,1]=3 1682 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CN TS47347 [0,2,0,0,0,0|0,0,1]=3 1683 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)CO TS19898 [0,2,0,0,0,0|1,0,1]=4 1684 B12R1.1703 c1cc(c(cc1Cl)Cl)C(=O)NN TS38746 [0,2,0,0,0,0|1,0,1]=4 1685 B12R1.1703 c1cc(c(cc1Cl)Cl)[C@@H](CCl)O TS24057 [0,2,0,0,0,0|1,0,0]=3 1686 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS43342 [0,2,0,0,0,0|0,1,1]=4 1687 B12R1.1703 c1cc(c(cc1F)F)C(=O)CN TS47349 [0,2,0,0,0,0|0,1,1]=4 1688 B12R1.124 CC(c1ccccc1Cl)C(=O)O TS15383 [0,2,0,0,0,0|1,0,1]=4 1689 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS09017 [0,2,0,0,0,0|1,0,1]=4 1690 B12R1.124 c1ccc(c(c1)C(C(=O)O)Br)Cl TS93283 [0,2,0,0,0,0|1,0,1]=4 1691 B12R1.124 c1ccc(c(c1)C(C(=O)O)O)Cl TS07850 [0,2,0,0,0,0|1,0,1]=4 1692 B12R1.124 c1ccc(c(c1)[C@@H](C(=O)O)O)Cl TS22968 [0,2,0,0,0,0|1,0,1]=4 1693 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)N)Cl TS01411 [0,2,0,0,0,0|1,0,1]=4 1694 B12R1.124 c1ccc(c(c1)[C@H](C(=O)O)O)Cl TS22962 [0,2,0,0,0,0|1,0,1]=4 1695 B12R1.127 Cc1ccc(c(c1)CC(C)C)C TS42510 [0,2,0,0,0,0|2,0,0]=4 1696 B12R1.127 c1cc(c(cc1F)CC(=O)O)Cl TS09285 [0,2,0,0,0,0|1,0,1]=4 1697 B12R1.151 C[Si](C)(C)Cc1ccccc1Cl TS18748 [0,2,0,0,0,0|1,1,0]=4 1698 B12R1.151 c1ccc(c(c1)CS(=O)(=O)Cl)Cl TS23961 [0,2,0,0,0,0|2,0,0]=4 1699 B12R1.151 c1ccc(c(c1)NC(F)(F)F)Cl TS52083 [0,2,0,0,0,0|2,0,0]=4 1700 B12R1.151 c1ccc(c(c1)OC(F)(F)F)Cl TS18353 [0,2,0,0,0,0|2,0,0]=4 1701 B12R1.1009 CC(=O)Cc1c(cccc1Cl)Cl TS19508 [0,2,0,0,0,0|1,0,1]=4 1702 B12R1.1009 CC(=O)Cc1c(cccc1Cl)F TS48996 [0,2,0,0,0,0|1,0,1]=4 1703 B12R1.1009 CC(C)Sc1c(cccc1Cl)N TS19296 [0,2,0,0,0,0|2,0,0]=4 1704 B12R1.1009 Cc1cccc(c1CC(=N)N)C TS11608 [0,2,0,0,0,0|1,0,1]=4 1705 B12R1.1009 c1cc(c(c(c1)Cl)CC(=N)N)Cl TS26409 [0,2,0,0,0,0|0,0,1]=3 1706 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)N)Cl TS19671 [0,2,0,0,0,0|0,0,1]=3 1707 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)Cl TS47297 [0,2,0,0,0,0|1,0,1]=4 1708 B12R1.1009 c1cc(c(c(c1)Cl)CC(=O)O)F TS09637 [0,2,0,0,0,0|1,0,1]=4 1709 B12R1.1009 c1cc(c(c(c1)Cl)NC(=S)N)Cl TS23238 [0,2,0,0,0,0|1,0,1]=4 1710 B12R1.354 CC[C@H](c1cc(ccc1C)C)N TS11748 [0,2,0,0,0,0|2,0,0]=4 1711 B12R1.354 c1cc(c(cc1Cl)C(=O)CBr)Cl TS30476 [0,2,0,0,0,0|1,0,1]=4 1712 B12R1.354 c1cc(c(cc1Cl)C(=O)NN)Cl TS38739 [0,2,0,0,0,0|1,0,1]=4 1713 B12R1.195 CCC(C)(C)c1ccccc1O TS42789 [0,2,0,0,0,0|2,0,0]=4 1714 B12R1.243 CCN(CC)c1ccccc1Cl TS48501 [0,2,0,0,0,0|2,0,0]=4 1715 B12R1.3441 c1cc(c(c(c1)Cl)C(=O)CBr)Cl TS09114 [0,2,0,0,0,0|1,0,1]=4 1716 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [1,0,0,1,0,0|1,0,0]=3 1717 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [1,0,0,1,0,0|1,0,0]=3 1718 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [1,0,0,1,0,0|1,0,0]=3 1719 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [1,0,0,1,0,0|1,0,0]=3 1720 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [1,0,0,1,0,0|2,0,0]=4 1721 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [1,0,0,1,0,0|1,0,0]=3 1722 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [1,0,0,1,0,0|1,0,1]=4 1723 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [1,0,0,1,0,0|1,0,1]=4 1724 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [1,0,0,1,0,0|1,0,0]=3 1725 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [1,0,0,1,0,0|0,0,0]=2 1726 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [1,0,0,1,0,0|1,0,0]=3 1727 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [1,0,0,1,0,0|1,0,0]=3 1728 B10R2.7 c1ccc2c(c1)COC2 TS04810 [1,0,0,1,0,0|2,0,0]=4 1729 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [1,0,0,1,0,0|1,0,0]=3 1730 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [1,0,0,1,0,0|2,0,0]=4 1731 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [1,0,0,1,0,0|2,0,0]=4 1732 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [1,0,0,1,0,0|1,0,1]=4 1733 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [1,0,0,1,0,0|2,0,0]=4 1734 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [1,0,0,1,0,0|0,0,2]=4 1735 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [1,0,0,1,0,0|1,0,1]=4 1736 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [1,0,0,1,0,0|1,0,1]=4 1737 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [1,0,0,1,0,0|1,0,1]=4 1738 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [1,0,0,1,0,0|1,0,0]=3 1739 B10R2.68 c1cc2c(c(c1)Br)CC2 TS09593 [1,0,0,1,0,0|0,1,0]=3 1740 B10R2.68 c1cc2c(c(c1)N)CC2 TS70910 [1,0,0,1,0,0|1,0,0]=3 1741 B12R2.202 c1cc2c(c(c1)Br)CC(=O)N2 TS70998 [0,1,0,1,0,0|0,1,1]=4 1742 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)C2 TS12307 [0,1,0,1,0,0|1,0,1]=4 1743 B12R2.202 c1cc2c(c(c1)Cl)CC(=O)N2 TS60055 [0,1,0,1,0,0|0,0,1]=3 1744 B12R2.202 c1cc2c(c(c1)F)CC(=O)N2 TS40977 [0,1,0,1,0,0|0,1,1]=4 1745 B12R2.202 c1cnc2c(c1Cl)CC(=O)N2 TS90440 [0,1,0,1,0,0|1,0,1]=4 1746 B12R2.1081 CC1CCNc2c1cccc2 TS07373 [0,1,0,1,0,0|2,0,0]=4 1747 B12R2.1081 CN1CCCc2c1cccc2 TS85270 [0,1,0,1,0,0|2,0,0]=4 1748 B12R2.1081 Cc1cccc2c1CCCC2 TS40462 [0,1,0,1,0,0|2,0,0]=4 1749 B12R2.1081 Cc1cccc2c1CCCN2 TS48500 [0,1,0,1,0,0|1,0,0]=3 1750 B12R2.1081 Cc1cccc2c1CCNC2 TS15210 [0,1,0,1,0,0|1,0,0]=3 1751 B12R2.1081 Cc1cccc2c1NCCC2 TS01868 [0,1,0,1,0,0|2,0,0]=4 1752 B12R2.1081 Cc1cccc2c1OCCN2 TS15531 [0,1,0,1,0,0|1,0,0]=3 1753 B12R2.1081 c1c2c(c(cn1)Br)CCCN2 TS94366 [0,1,0,1,0,0|1,1,0]=4 1754 B12R2.1081 c1c[nH]c(=O)c2c1CNCC2 TS94344 [0,1,0,1,0,0|2,0,0]=4 1755 B12R2.1081 c1cc(c2c(c1)NCCC2)N TS40664 [0,1,0,1,0,0|1,0,0]=3 1756 B12R2.1081 c1cc(c2c(c1)OCCO2)N TS00570 [0,1,0,1,0,0|2,0,0]=4 1757 B12R2.1081 c1cc2c(c(c1)Br)CCCN2 TS02060 [0,1,0,1,0,0|0,1,0]=3 1758 B12R2.1081 c1cc2c(c(c1)Br)CCCO2 TS21453 [0,1,0,1,0,0|1,1,0]=4 1759 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 TS32800 [0,1,0,1,0,0|0,1,0]=3 1760 B12R2.1081 c1cc2c(c(c1)Br)CCNC2 TS88532 [0,1,0,1,0,0|0,1,0]=3 1761 B12R2.1081 c1cc2c(c(c1)Br)CNCC2 TS90020 [0,1,0,1,0,0|1,0,0]=3 1762 B12R2.1081 c1cc2c(c(c1)Br)OCCN2 TS28105 [0,1,0,1,0,0|0,1,0]=3 1763 B12R2.1081 c1cc2c(c(c1)Cl)CCC=C2 TS11961 [0,1,0,1,0,0|1,0,0]=3 1764 B12R2.1081 c1cc2c(c(c1)Cl)CCCN2 TS38538 [0,1,0,1,0,0|0,0,0]=2 1765 B12R2.1081 c1cc2c(c(c1)Cl)CCNC2 TS38535 [0,1,0,1,0,0|0,0,0]=2 1766 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 TS38539 [0,1,0,1,0,0|1,0,0]=3 1767 B12R2.1081 c1cc2c(c(c1)Cl)CNCC2 TS43287 [0,1,0,1,0,0|1,0,0]=3 1768 B12R2.1081 c1cc2c(c(c1)F)CCC=C2 TS07449 [0,1,0,1,0,0|1,1,0]=4 1769 B12R2.1081 c1cc2c(c(c1)F)CCCN2 TS50633 [0,1,0,1,0,0|0,1,0]=3 1770 B12R2.1081 c1cc2c(c(c1)F)OCCN2 TS55703 [0,1,0,1,0,0|0,1,0]=3 1771 B12R2.1081 c1cc2c(c(c1)I)CCNC2 TS35827 [0,1,0,1,0,0|0,1,0]=3 1772 B12R2.1081 c1cc2c(c(c1)N)CCCC2 TS16958 [0,1,0,1,0,0|2,0,0]=4 1773 B12R2.1081 c1cc2c(c(c1)N)CCNC2 TS40666 [0,1,0,1,0,0|1,0,0]=3 1774 B12R2.1081 c1cc2c(c(c1)N)NCCC2 TS40683 [0,1,0,1,0,0|2,0,0]=4 1775 B12R2.1081 c1cc2c(c(c1)O)CCCC2 TS07482 [0,1,0,1,0,0|2,0,0]=4 1776 B12R2.1081 c1cc2c(c(c1)O)NCCC2 TS55705 [0,1,0,1,0,0|2,0,0]=4 1777 B12R2.1081 c1cc2c(c(c1)O)OCCN2 TS59995 [0,1,0,1,0,0|1,0,0]=3 1778 B12R2.1081 c1cc2c(nc1)C(CCC2)Cl TS43286 [0,1,0,1,0,0|2,0,0]=4 1779 B12R2.1081 c1ccc2c(c1)C(CCN2)N TS40665 [0,1,0,1,0,0|2,0,0]=4 1780 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS48812 [0,1,0,1,0,0|2,0,0]=4 1781 B12R2.1081 c1ccc2c(c1)C(CCO2)N TS55814 [0,1,0,1,0,0|2,0,0]=4 1782 B12R2.1081 c1ccc2c(c1)C(CCO2)O TS09864 [0,1,0,1,0,0|2,0,0]=4 1783 B12R2.1081 c1ccc2c(c1)C(CCS2)N TS12088 [0,1,0,1,0,0|2,0,0]=4 1784 B12R2.1081 c1ccc2c(c1)C(CCS2)O TS12277 [0,1,0,1,0,0|2,0,0]=4 1785 B12R2.1081 c1ccc2c(c1)CCCC2=O TS07218 [0,1,0,1,0,0|2,0,0]=4 1786 B12R2.1081 c1ccc2c(c1)CCCC2N TS46759 [0,1,0,1,0,0|2,0,0]=4 1787 B12R2.1081 c1ccc2c(c1)CCCC2N TS48498 [0,1,0,1,0,0|2,0,0]=4 1788 B12R2.1081 c1ccc2c(c1)CCCC2O TS40646 [0,1,0,1,0,0|2,0,0]=4 1789 B12R2.1081 c1ccc2c(c1)CCCN2N TS40674 [0,1,0,1,0,0|2,0,0]=4 1790 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS08922 [0,1,0,1,0,0|2,0,0]=4 1791 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N TS48497 [0,1,0,1,0,0|2,0,0]=4 1792 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2O TS40651 [0,1,0,1,0,0|2,0,0]=4 1793 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS15209 [0,1,0,1,0,0|2,0,0]=4 1794 B12R2.1081 c1ccc2c(c1)CCC[C@H]2N TS40559 [0,1,0,1,0,0|2,0,0]=4 1795 B12R2.1081 c1ccc2c(c1)CCC[C@H]2O TS40650 [0,1,0,1,0,0|2,0,0]=4 1796 B12R2.1081 c1ccc2c(c1)CCNC2=O TS02547 [0,1,0,1,0,0|1,0,0]=3 1797 B12R2.1081 c1ccc2c(c1)CCNC2=S TS42620 [0,1,0,1,0,0|1,0,0]=3 1798 B12R2.1081 c1ccc2c(c1)CCOC2=O TS77141 [0,1,0,1,0,0|2,0,0]=4 1799 B12R2.1081 c1ccc2c(c1)CNCC2O TS40756 [0,1,0,1,0,0|1,0,0]=3 1800 B12R2.1081 c1ccc2c(c1)COCC2N TS65761 [0,1,0,1,0,0|2,0,0]=4 1801 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS00222 [0,1,0,1,0,0|2,0,0]=4 1802 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N TS15532 [0,1,0,1,0,0|2,0,0]=4 1803 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS00223 [0,1,0,1,0,0|2,0,0]=4 1804 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N TS48807 [0,1,0,1,0,0|2,0,0]=4 1805 B12R2.1081 c1cnc(c2c1CNCC2)N TS07580 [0,1,0,1,0,0|2,0,0]=4 1806 B12R2.24 CC1CCc2ccccc2N1 TS59877 [0,1,0,1,0,0|2,0,0]=4 1807 B12R2.24 CC1COc2ccccc2N1 TS40752 [0,1,0,1,0,0|2,0,0]=4 1808 B12R2.24 CC1Cc2ccccc2CN1 TS40571 [0,1,0,1,0,0|1,0,0]=3 1809 B12R2.24 Cc1ccc2c(c1)CCCC2 TS07265 [0,1,0,1,0,0|2,0,0]=4 1810 B12R2.24 Cc1ccc2c(c1)CCCN2 TS46763 [0,1,0,1,0,0|2,0,0]=4 1811 B12R2.24 Cc1ccc2c(c1)CCNC2 TS85130 [0,1,0,1,0,0|1,0,0]=3 1812 B12R2.24 Cc1ccc2c(c1)CNCC2 TS15211 [0,1,0,1,0,0|1,0,0]=3 1813 B12R2.24 Cc1ccc2c(c1)CNCC2 TS55689 [0,1,0,1,0,0|1,0,0]=3 1814 B12R2.24 Cc1ccc2c(c1)NCCC2 TS15213 [0,1,0,1,0,0|2,0,0]=4 1815 B12R2.24 c1c(cnc2c1CCNC2)Br TS86787 [0,1,0,1,0,0|2,0,0]=4 1816 B12R2.24 c1c(cnc2c1CNCC2)Br TS21456 [0,1,0,1,0,0|2,0,0]=4 1817 B12R2.24 c1c(cnc2c1CNCC2)N TS94339 [0,1,0,1,0,0|2,0,0]=4 1818 B12R2.24 c1c(cnc2c1CNCC2)O TS40878 [0,1,0,1,0,0|2,0,0]=4 1819 B12R2.24 c1cc(nc2c1CNCC2)Cl TS00905 [0,1,0,1,0,0|2,0,0]=4 1820 B12R2.24 c1cc2c(cc1Br)C=CCC2 TS20693 [0,1,0,1,0,0|2,0,0]=4 1821 B12R2.24 c1cc2c(cc1Br)CCCN2 TS86204 [0,1,0,1,0,0|2,0,0]=4 1822 B12R2.24 c1cc2c(cc1Br)CCCO2 TS21450 [0,1,0,1,0,0|2,0,0]=4 1823 B12R2.24 c1cc2c(cc1Br)CCNC2 TS27817 [0,1,0,1,0,0|1,0,0]=3 1824 B12R2.24 c1cc2c(cc1Br)CCNC2 TS90722 [0,1,0,1,0,0|1,0,0]=3 1825 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55650 [0,1,0,1,0,0|1,0,0]=3 1826 B12R2.24 c1cc2c(cc1Br)CNCC2 TS55651 [0,1,0,1,0,0|1,0,0]=3 1827 B12R2.24 c1cc2c(cc1Br)NCCC2 TS55652 [0,1,0,1,0,0|2,0,0]=4 1828 B12R2.24 c1cc2c(cc1Cl)C=CCC2 TS11962 [0,1,0,1,0,0|2,0,0]=4 1829 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS00906 [0,1,0,1,0,0|1,0,0]=3 1830 B12R2.24 c1cc2c(cc1Cl)CCNC2 TS60093 [0,1,0,1,0,0|1,0,0]=3 1831 B12R2.24 c1cc2c(cc1Cl)NCCC2 TS38541 [0,1,0,1,0,0|2,0,0]=4 1832 B12R2.24 c1cc2c(cc1F)C=CCC2 TS07450 [0,1,0,1,0,0|2,0,0]=4 1833 B12R2.24 c1cc2c(cc1F)CCNC2 TS10052 [0,1,0,1,0,0|1,0,0]=3 1834 B12R2.24 c1cc2c(cc1F)CCNC2 TS59734 [0,1,0,1,0,0|1,0,0]=3 1835 B12R2.24 c1cc2c(cc1F)CNCC2 TS10056 [0,1,0,1,0,0|1,0,0]=3 1836 B12R2.24 c1cc2c(cc1F)CNCC2 TS85147 [0,1,0,1,0,0|1,0,0]=3 1837 B12R2.24 c1cc2c(cc1I)CNCC2 TS35828 [0,1,0,1,0,0|1,0,0]=3 1838 B12R2.24 c1cc2c(cc1N)CCCC2 TS40565 [0,1,0,1,0,0|2,0,0]=4 1839 B12R2.24 c1cc2c(cc1N)CNCC2 TS40670 [0,1,0,1,0,0|1,0,0]=3 1840 B12R2.24 c1cc2c(cc1N)NCCC2 TS01293 [0,1,0,1,0,0|2,0,0]=4 1841 B12R2.24 c1cc2c(cc1O)CCCC2 TS16959 [0,1,0,1,0,0|2,0,0]=4 1842 B12R2.24 c1cc2c(cc1O)CCCC2 TS94705 [0,1,0,1,0,0|2,0,0]=4 1843 B12R2.24 c1cc2c(cc1O)CCCN2 TS01238 [0,1,0,1,0,0|2,0,0]=4 1844 B12R2.24 c1cc2c(cc1O)CCNC2 TS46766 [0,1,0,1,0,0|1,0,0]=3 1845 B12R2.24 c1cc2c(cc1O)CCNC2 TS52947 [0,1,0,1,0,0|1,0,0]=3 1846 B12R2.24 c1ccc2c(c1)CC(=O)NC2 TS46807 [0,1,0,1,0,0|1,0,1]=4 1847 B12R2.24 c1ccc2c(c1)CC(CN2)N TS40678 [0,1,0,1,0,0|1,0,0]=3 1848 B12R2.24 c1ccc2c(c1)CC(CO2)N TS40753 [0,1,0,1,0,0|1,0,0]=3 1849 B12R2.24 c1ccc2c(c1)CC(CO2)N TS48810 [0,1,0,1,0,0|1,0,0]=3 1850 B12R2.24 c1ccc2c(c1)CC(CS2)N TS12090 [0,1,0,1,0,0|1,0,0]=3 1851 B12R2.24 c1ccc2c(c1)CCC(=O)C2 TS65651 [0,1,0,1,0,0|2,0,0]=4 1852 B12R2.24 c1ccc2c(c1)CCC(=O)N2 TS02541 [0,1,0,1,0,0|2,0,0]=4 1853 B12R2.24 c1ccc2c(c1)CCC(=O)O2 TS01918 [0,1,0,1,0,0|2,0,0]=4 1854 B12R2.24 c1ccc2c(c1)CCC(C2)N TS08739 [0,1,0,1,0,0|1,0,0]=3 1855 B12R2.24 c1ccc2c(c1)CCC(C2)N TS46761 [0,1,0,1,0,0|1,0,0]=3 1856 B12R2.24 c1ccc2c(c1)CCC(C2)O TS07471 [0,1,0,1,0,0|2,0,0]=4 1857 B12R2.24 c1ccc2c(c1)CC[C@@H](C2)N TS07859 [0,1,0,1,0,0|1,0,0]=3 1858 B12R2.32 CCC1=Cc2ccccc2C1 TS07003 [0,1,0,1,0,0|2,0,0]=4 1859 B12R2.32 CNC1Cc2ccccc2C1 TS15214 [0,1,0,1,0,0|1,0,0]=3 1860 B12R2.32 c1ccc2c(c1)CC(N2)CO TS40762 [0,1,0,1,0,0|2,0,0]=4 1861 B12R2.32 c1ccc2c(c1)CC(O2)CN TS15534 [0,1,0,1,0,0|1,0,0]=3 1862 B12R2.32 c1ccc2c(c1)C[C@H](N2)CO TS40740 [0,1,0,1,0,0|2,0,0]=4 1863 B12R2.32 c1ccc2c(c1)cc([nH]2)CN TS46492 [0,1,0,1,0,0|1,0,1]=4 1864 B12R2.32 c1ccc2c(c1)cc(s2)CN TS42619 [0,1,0,1,0,0|1,0,1]=4 1865 B12R2.32 c1ccc2c(c1)nc(o2)CN TS55755 [0,1,0,1,0,0|1,0,1]=4 1866 B12R2.32 c1ccc2c(c1)nc(s2)CN TS19126 [0,1,0,1,0,0|1,0,1]=4 1867 B12R2.196 Cc1cccc2c1CCC2=O TS71227 [0,1,0,1,0,0|2,0,0]=4 1868 B12R2.196 c1cc2c(c(c1)Br)CCC2=O TS70950 [0,1,0,1,0,0|1,1,0]=4 1869 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O TS03034 [0,1,0,1,0,0|1,0,0]=3 1870 B12R2.196 c1cc2c(c(c1)Cl)CCC2N TS38540 [0,1,0,1,0,0|0,0,0]=2 1871 B12R2.196 c1cc2c(c(c1)Cl)COC2=O TS44933 [0,1,0,1,0,0|1,0,1]=4 1872 B12R2.196 c1cc2c(c(c1)F)CCC2=O TS71114 [0,1,0,1,0,0|1,1,0]=4 1873 B12R2.196 c1cc2c(c(c1)F)CCC2N TS50630 [0,1,0,1,0,0|0,1,0]=3 1874 B12R2.196 c1cc2c(c(c1)F)CC[C@@H]2N TS10051 [0,1,0,1,0,0|0,1,0]=3 1875 B12R2.196 c1cc2c(c(c1)I)CCC2=O TS00568 [0,1,0,1,0,0|1,1,0]=4 1876 B12R2.196 c1cc2c(c(c1)N)CCC2=O TS07324 [0,1,0,1,0,0|2,0,0]=4 1877 B12R2.196 c1cc2c(c(c1)O)CCC2=O TS71172 [0,1,0,1,0,0|2,0,0]=4 1878 B12R2.1 c1ccc2c(c1)CCC2CN TS40569 [0,1,0,1,0,0|1,0,0]=3 1879 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN TS46493 [0,1,0,1,0,0|1,0,1]=4 1880 B12R2.1 c1ccc2c(c1)c(cs2)CN TS11736 [0,1,0,1,0,0|1,0,1]=4 1881 B12R2.1 c1ccc2c(c1)c(cs2)CN TS37824 [0,1,0,1,0,0|1,0,1]=4 1882 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS15193 [0,1,0,1,0,0|1,0,1]=4 1883 B12R2.1 c1ccc2c(c1)c(n[nH]2)CN TS88235 [0,1,0,1,0,0|1,0,1]=4 1884 B12R2.18 CC1Cc2ccccc2C1=O TS07227 [0,1,0,1,0,0|2,0,0]=4 1885 B12R2.18 CC1Cc2ccccc2N1N TS15399 [0,1,0,1,0,0|2,0,0]=4 1886 B12R2.18 CC1Cc2ccccc2N1N TS40679 [0,1,0,1,0,0|2,0,0]=4 1887 B12R2.18 CC1c2ccccc2NC1C TS40570 [0,1,0,1,0,0|2,0,0]=4 1888 B12R2.18 c1ccc2c(c1)CC(C2=O)Br TS21064 [0,1,0,1,0,0|2,0,0]=4 1889 B12R2.18 c1ccc2c(c1)CC(C2=O)I TS68074 [0,1,0,1,0,0|2,0,0]=4 1890 B12R2.18 c1ccc2c(c1)CC(C2N)Cl TS38536 [0,1,0,1,0,0|2,0,0]=4 1891 B12R2.18 c1ccc2c(c1)CC(C2N)O TS94593 [0,1,0,1,0,0|2,0,0]=4 1892 B12R2.18 c1ccc2c(c1)CC(C2O)Br TS55072 [0,1,0,1,0,0|2,0,0]=4 1893 B12R2.18 c1ccc2c(c1)CC(C2O)N TS48806 [0,1,0,1,0,0|1,0,0]=3 1894 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2N)O TS07983 [0,1,0,1,0,0|2,0,0]=4 1895 B12R2.18 c1ccc2c(c1)C[C@@H]([C@@H]2O)O TS09875 [0,1,0,1,0,0|2,0,0]=4 1896 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2N)O TS07569 [0,1,0,1,0,0|2,0,0]=4 1897 B12R2.18 c1ccc2c(c1)C[C@@H]([C@H]2O)Cl TS44951 [0,1,0,1,0,0|2,0,0]=4 1898 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2N)O TS40741 [0,1,0,1,0,0|2,0,0]=4 1899 B12R2.18 c1ccc2c(c1)C[C@H]([C@@H]2O)Br TS21447 [0,1,0,1,0,0|2,0,0]=4 1900 B12R2.18 c1ccc2c(c1)C[C@H]([C@H]2N)O TS07985 [0,1,0,1,0,0|2,0,0]=4 1901 B12R2.315 C=Cc1cccc2c1CCO2 TS32981 [0,1,0,1,0,0|2,0,0]=4 1902 B12R2.315 COc1cccc2c1CCN2 TS71200 [0,1,0,1,0,0|1,0,0]=3 1903 B12R2.315 COc1cccc2c1CCN2 TS71201 [0,1,0,1,0,0|1,0,0]=3 1904 B12R2.315 c1cc(c2c(c1)OCC2)C=O TS07415 [0,1,0,1,0,0|2,0,0]=4 1905 B12R2.246 c1c(cc(c2c1NCC2)Cl)Cl TS70826 [0,1,0,1,0,0|0,0,0]=2 1906 B12R2.246 c1c(cc(c2c1[nH]nc2)Cl)Br TS88507 [0,1,0,1,0,0|1,0,1]=4 1907 B12R2.246 c1c(cc(c2c1[nH]nc2)Cl)N TS12436 [0,1,0,1,0,0|1,0,1]=4 1908 B12R2.246 c1c[nH]c2c1c(cc(c2)Cl)Cl TS48826 [0,1,0,1,0,0|0,0,2]=4 1909 B12R2.606 c1cc2c(cc1Br)CC(C2)N TS71463 [0,1,0,1,0,0|1,0,0]=3 1910 B12R2.606 c1cc2c(cc1Br)CC(C2)O TS59904 [0,1,0,1,0,0|2,0,0]=4 1911 B12R2.221 Cc1ccc(c2c1CCC2)O TS07458 [0,1,0,1,0,0|2,0,0]=4 1912 B12R2.221 c1cc(c2c(c1O)CCC2)Cl TS12616 [0,1,0,1,0,0|1,0,0]=3 1913 B12R2.88 c1ccc(c(c1)C2(CC2)N)Br TS44123 [0,1,0,1,0,0|1,1,0]=4 1914 B12R2.88 c1ccc(c(c1)C2(CC2)N)F TS10053 [0,1,0,1,0,0|1,1,0]=4 1915 B12R2.203 c1cc2c(c(c1)Cl)C(=O)CC2 TS12305 [0,1,0,1,0,0|1,0,1]=4 1916 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)I TS34052 [0,1,0,1,0,0|1,0,1]=4 1917 B12R2.203 c1cc2c(c(c1)Cl)c(n[nH]2)N TS32629 [0,1,0,1,0,0|1,0,1]=4 1918 B12R3.12 c1ccc2c(c1)CC3C2O3 TS09192 [0,0,0,2,0,0|2,0,0]=4 1919 B8R1.8 CCCc1ccco1 TS31836 [1,0,0,0,1,0|2,0,0]=4 1920 B8R1.8 CCCc1cccs1 TS36171 [1,0,0,0,1,0|2,0,0]=4 1921 B8R1.8 CCCc1ccsc1 TS36172 [1,0,0,0,1,0|2,0,0]=4 1922 B8R1.8 c1c(ncs1)CCN TS36318 [1,0,0,0,1,0|2,0,0]=4 1923 B8R1.8 c1c[nH]nc1CCN TS31879 [1,0,0,0,1,0|2,0,0]=4 1924 B8R1.8 c1cc(oc1)CCO TS31915 [1,0,0,0,1,0|2,0,0]=4 1925 B8R1.8 c1cc(sc1)CCBr TS51245 [1,0,0,0,1,0|2,0,0]=4 1926 B8R1.8 c1cc(sc1)CCN TS46632 [1,0,0,0,1,0|1,0,0]=3 1927 B8R1.8 c1cc(sc1)CCN TS65662 [1,0,0,0,1,0|1,0,0]=3 1928 B8R1.8 c1cc(sc1)CCN TS93665 [1,0,0,0,1,0|1,0,0]=3 1929 B8R1.8 c1cc(sc1)CCO TS65661 [1,0,0,0,1,0|2,0,0]=4 1930 B8R1.8 c1cc(sc1)CNN TS86129 [1,0,0,0,1,0|2,0,0]=4 1931 B8R1.8 c1ccn(c1)CCBr TS08145 [1,0,0,0,1,0|2,0,0]=4 1932 B8R1.8 c1ccn(c1)CCCl TS05507 [1,0,0,0,1,0|2,0,0]=4 1933 B8R1.8 c1ccn(c1)CCN TS08216 [1,0,0,0,1,0|1,0,0]=3 1934 B8R1.8 c1ccn(c1)CCO TS31872 [1,0,0,0,1,0|2,0,0]=4 1935 B8R1.8 c1cn(cn1)CCN TS85402 [1,0,0,0,1,0|2,0,0]=4 1936 B8R1.8 c1coc(n1)CCN TS00111 [1,0,0,0,1,0|2,0,0]=4 1937 B8R1.8 c1csc(n1)CCN TS11967 [1,0,0,0,1,0|2,0,0]=4 1938 B8R1.8 c1cscc1CCN TS36246 [1,0,0,0,1,0|1,0,0]=3 1939 B8R1.8 c1cscc1CCO TS01729 [1,0,0,0,1,0|2,0,0]=4 1940 B8R1.8 c1cscc1CCO TS37040 [1,0,0,0,1,0|2,0,0]=4 1941 B8R1.8 c1cscc1CNN TS89281 [1,0,0,0,1,0|2,0,0]=4 1942 B8R1.11 Cn1cccc1CN TS04204 [1,0,0,0,1,0|2,0,0]=4 1943 B8R1.11 c1csc(c1Br)CN TS51400 [1,0,0,0,1,0|1,1,0]=4 1944 B8R1.11 c1csc(c1CBr)Cl TS21190 [1,0,0,0,1,0|2,0,0]=4 1945 B8R1.11 c1csc(c1CCl)Cl TS08393 [1,0,0,0,1,0|2,0,0]=4 1946 B8R1.11 c1csc(c1CN)Br TS51399 [1,0,0,0,1,0|1,1,0]=4 1947 B8R1.11 c1csc(c1Cl)CN TS85965 [1,0,0,0,1,0|1,0,0]=3 1948 B8R1.11 c1csc(c1Cl)CO TS88849 [1,0,0,0,1,0|2,0,0]=4