0 B9R1.8 C#CCc1ccccc1 TS32230 [0,0,0,0,0,0|1,0,1]=2 1 B9R1.8 C1CCC(=CC1)CCN TS05119 [0,0,0,0,0,0|0,0,4]=4 2 B9R1.8 C=CC[n+]1ccccc1 TS37844 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 C=CCc1ccccc1 TS32347 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.8 C=CSc1ccccc1 TS06113 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.8 CC#Cc1ccccc1 TS04599 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.8 CC=Cc1ccccc1 TS32346 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.8 CCC[n+]1ccccc1 TS38202 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.8 CCCc1ccccc1 TS04832 [0,0,0,0,0,0|1,0,0]=1 9 B9R1.8 CCCc1ccccn1 TS85359 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.8 CCCc1cnccn1 TS59984 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.8 CCNc1ccccc1 TS04869 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.8 CCOc1ccccc1 TS04896 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.8 CCOc1ccccn1 TS55309 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.8 CCOc1ccncc1 TS04974 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.8 CCOc1cnccn1 TS05010 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.8 CCSc1ccccc1 TS06299 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.8 CNCc1ccccc1 TS01938 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.8 CNCc1ccccn1 TS51966 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.8 CNCc1cccnc1 TS02609 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.8 CNCc1ccncc1 TS65238 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.8 CNCc1ccncn1 TS32568 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.8 CNCc1cnccn1 TS01556 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.8 CNCc1cncnc1 TS91331 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.8 CNCc1ncccn1 TS90445 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.8 CNNc1ccccc1 TS85406 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.8 COCc1ccccc1 TS04897 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.8 COCc1ccccn1 TS00518 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.8 CSCc1ccccc1 TS06309 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.8 CSSc1ccccc1 TS41708 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.8 [Li]C#Cc1ccccc1 TS04133 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.8 c1c(cncn1)CC#N TS88576 [0,0,0,0,0,0|2,0,2]=4 33 B9R1.8 c1c(cncn1)CNN TS87915 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.8 c1cc(cnc1)C=NO TS32495 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.8 c1cc(cnc1)CC#N TS04724 [0,0,0,0,0,0|1,0,2]=3 36 B9R1.8 c1cc(cnc1)CCN TS41995 [0,0,0,0,0,0|1,0,0]=1 37 B9R1.8 c1cc(cnc1)CCN TS65667 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.8 c1cc(cnc1)CCO TS39614 [0,0,0,0,0,0|2,0,0]=2 39 B9R1.8 c1cc(cnc1)CNN TS87066 [0,0,0,0,0,0|2,0,0]=2 40 B9R1.8 c1cc(cnc1)N=C=O TS32413 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.8 c1cc(nnc1)CC#N TS89382 [0,0,0,0,0,0|2,0,2]=4 42 B9R1.8 c1cc(nnc1)CNN TS92328 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.8 c1cc[n+](cc1)CC#N TS41465 [0,0,0,0,0,0|1,0,2]=3 44 B9R1.8 c1ccc(cc1)C#CBr TS48021 [0,0,0,0,0,0|1,0,2]=3 45 B9R1.8 c1ccc(cc1)C=CBr TS48378 [0,0,0,0,0,0|1,0,2]=3 46 B9R1.8 c1ccc(cc1)C=CCl TS37253 [0,0,0,0,0,0|1,0,2]=3 47 B9R1.8 c1ccc(cc1)C=CN TS55760 [0,0,0,0,0,0|0,0,2]=2 48 B9R1.8 c1ccc(cc1)C=N#N TS04720 [0,0,0,0,0,0|1,0,2]=3 49 B9R1.8 c1ccc(cc1)C=NN TS04817 [0,0,0,0,0,0|1,0,1]=2 50 B9R1.8 c1ccc(cc1)CC#N TS04678 [0,0,0,0,0,0|0,0,2]=2 51 B9R1.8 c1ccc(cc1)CCBr TS15419 [0,0,0,0,0,0|1,0,0]=1 52 B9R1.8 c1ccc(cc1)CCCl TS37454 [0,0,0,0,0,0|1,0,0]=1 53 B9R1.8 c1ccc(cc1)CCI TS25156 [0,0,0,0,0,0|1,0,0]=1 54 B9R1.8 c1ccc(cc1)CCN TS22602 [0,0,0,0,0,0|0,0,0]=0 55 B9R1.8 c1ccc(cc1)CCN TS65627 [0,0,0,0,0,0|0,0,0]=0 56 B9R1.8 c1ccc(cc1)CCO TS04901 [0,0,0,0,0,0|1,0,0]=1 57 B9R1.8 c1ccc(cc1)CCS TS06307 [0,0,0,0,0,0|1,0,0]=1 58 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [0,0,0,0,0,0|1,0,0]=1 59 B9R1.8 c1ccc(cc1)CNN TS09177 [0,0,0,0,0,0|1,0,0]=1 60 B9R1.8 c1ccc(cc1)CNN TS21284 [0,0,0,0,0,0|1,0,0]=1 61 B9R1.8 c1ccc(cc1)CNO TS01934 [0,0,0,0,0,0|2,0,0]=2 62 B9R1.8 c1ccc(cc1)CNO TS93618 [0,0,0,0,0,0|2,0,0]=2 63 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [0,0,0,0,0,0|2,0,0]=2 64 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [0,0,0,0,0,0|2,0,0]=2 65 B9R1.8 c1ccc(cc1)N=C=O TS32396 [0,0,0,0,0,0|2,0,1]=3 66 B9R1.8 c1ccc(cc1)N=C=S TS06000 [0,0,0,0,0,0|2,0,1]=3 67 B9R1.8 c1ccc(cc1)N=[N+]=[N-] TS04781 [0,0,0,0,0,0|2,0,1]=3 68 B9R1.8 c1ccc(cc1)NC=O TS04863 [0,0,0,0,0,0|2,0,1]=3 69 B9R1.8 c1ccc(cc1)OC#N TS32392 [0,0,0,0,0,0|1,0,2]=3 70 B9R1.8 c1ccc(cc1)OC=O TS32488 [0,0,0,0,0,0|2,0,1]=3 71 B9R1.8 c1ccc(cc1)SCCl TS42004 [0,0,0,0,0,0|2,0,0]=2 72 B9R1.8 c1ccc(cc1)[Se]C#N TS48175 [0,0,0,0,0,0|1,0,2]=3 73 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [0,0,0,0,0,0|1,1,0]=2 74 B9R1.8 c1ccnc(c1)C=NO TS53320 [0,0,0,0,0,0|3,0,1]=4 75 B9R1.8 c1ccnc(c1)C=NO TS94195 [0,0,0,0,0,0|3,0,1]=4 76 B9R1.8 c1ccnc(c1)CC#N TS04723 [0,0,0,0,0,0|1,0,2]=3 77 B9R1.8 c1ccnc(c1)CCCl TS37532 [0,0,0,0,0,0|2,0,0]=2 78 B9R1.8 c1ccnc(c1)CCN TS04914 [0,0,0,0,0,0|1,0,0]=1 79 B9R1.8 c1ccnc(c1)CCN TS17997 [0,0,0,0,0,0|1,0,0]=1 80 B9R1.8 c1ccnc(c1)CCO TS04967 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.8 c1ccnc(c1)CNN TS87756 [0,0,0,0,0,0|2,0,0]=2 82 B9R1.8 c1ccnc(c1)N=C=S TS37004 [0,0,0,0,0,0|3,0,1]=4 83 B9R1.8 c1ccnc(c1)NC=O TS32499 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.8 c1cnc(cn1)CC#N TS87071 [0,0,0,0,0,0|2,0,2]=4 85 B9R1.8 c1cnc(cn1)CCN TS32564 [0,0,0,0,0,0|2,0,0]=2 86 B9R1.8 c1cnc(cn1)CCS TS37406 [0,0,0,0,0,0|3,0,0]=3 87 B9R1.8 c1cnc(cn1)CNN TS88060 [0,0,0,0,0,0|3,0,0]=3 88 B9R1.8 c1cnc(nc1)CC#N TS86176 [0,0,0,0,0,0|2,0,2]=4 89 B9R1.8 c1cnc(nc1)CNN TS88342 [0,0,0,0,0,0|3,0,0]=3 90 B9R1.8 c1cnccc1C=NO TS59376 [0,0,0,0,0,0|3,0,1]=4 91 B9R1.8 c1cnccc1CCN TS09522 [0,0,0,0,0,0|1,0,0]=1 92 B9R1.8 c1cnccc1CCO TS70737 [0,0,0,0,0,0|2,0,0]=2 93 B9R1.8 c1cnccc1CCS TS06395 [0,0,0,0,0,0|2,0,0]=2 94 B9R1.8 c1cnccc1CCS TS46022 [0,0,0,0,0,0|2,0,0]=2 95 B9R1.8 c1cnccc1CNN TS85585 [0,0,0,0,0,0|2,0,0]=2 96 B9R1.8 c1cnccc1N=C=S TS37005 [0,0,0,0,0,0|3,0,1]=4 97 B9R1.8 c1cncnc1CC#N TS88689 [0,0,0,0,0,0|2,0,2]=4 98 B9R1.8 c1cncnc1CCN TS86707 [0,0,0,0,0,0|2,0,0]=2 99 B9R1.8 c1cnncc1CC#N TS89381 [0,0,0,0,0,0|2,0,2]=4 100 B9R1.8 c1cnncc1CNN TS91906 [0,0,0,0,0,0|3,0,0]=3 101 B8R1.2 C#Cc1ccccc1 TS39865 [1,0,0,0,0,0|0,0,2]=3 102 B8R1.2 C#Cc1ccccn1 TS55319 [1,0,0,0,0,0|1,0,2]=4 103 B8R1.2 C#Cc1cccnc1 TS16364 [1,0,0,0,0,0|1,0,2]=4 104 B8R1.2 C#Cc1ccncc1 TS71113 [1,0,0,0,0,0|1,0,2]=4 105 B8R1.2 C#Cc1ccncc1 TS90305 [1,0,0,0,0,0|1,0,2]=4 106 B8R1.2 C=Cc1ccccc1 TS04045 [1,0,0,0,0,0|0,0,2]=3 107 B8R1.2 C=Cc1ccccn1 TS31704 [1,0,0,0,0,0|1,0,2]=4 108 B8R1.2 C=Cc1cccnc1 TS31705 [1,0,0,0,0,0|1,0,2]=4 109 B8R1.2 C=Cc1ccncc1 TS33177 [1,0,0,0,0,0|1,0,2]=4 110 B8R1.2 CCC1=CCC=CC1 TS04142 [1,0,0,0,0,0|0,0,2]=3 111 B8R1.2 CC[n+]1ccccc1 TS40125 [1,0,0,0,0,0|1,0,0]=2 112 B8R1.2 CC[n+]1ccccc1 TS50650 [1,0,0,0,0,0|1,0,0]=2 113 B8R1.2 CCc1ccccc1 TS04102 [1,0,0,0,0,0|0,0,0]=1 114 B8R1.2 CCc1ccccn1 TS55316 [1,0,0,0,0,0|1,0,0]=2 115 B8R1.2 CCc1cccnc1 TS04113 [1,0,0,0,0,0|1,0,0]=2 116 B8R1.2 CCc1ccncc1 TS04110 [1,0,0,0,0,0|1,0,0]=2 117 B8R1.2 CCc1cnccn1 TS31774 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.2 CNc1ccccc1 TS31758 [1,0,0,0,0,0|1,0,0]=2 119 B8R1.2 CNc1ccccc1 TS40129 [1,0,0,0,0,0|1,0,0]=2 120 B8R1.2 CNc1ccccn1 TS22814 [1,0,0,0,0,0|2,0,0]=3 121 B8R1.2 CNc1cccnc1 TS09432 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.2 CNc1ccncc1 TS16891 [1,0,0,0,0,0|2,0,0]=3 123 B8R1.2 CNc1cnccn1 TS31803 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.2 CNc1ncccn1 TS31802 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.2 COc1ccccc1 TS39801 [1,0,0,0,0,0|1,0,0]=2 126 B8R1.2 COc1cccnn1 TS02827 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.2 COc1ccncc1 TS03163 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.2 COc1ccncn1 TS31815 [1,0,0,0,0,0|3,0,0]=4 129 B8R1.2 COc1cnccn1 TS55429 [1,0,0,0,0,0|3,0,0]=4 130 B8R1.2 COc1ncccn1 TS31823 [1,0,0,0,0,0|3,0,0]=4 131 B8R1.2 CPc1ccccc1 TS32592 [1,0,0,0,0,0|1,0,0]=2 132 B8R1.2 CSc1ccccc1 TS36022 [1,0,0,0,0,0|1,0,0]=2 133 B8R1.2 CSc1ccccn1 TS05101 [1,0,0,0,0,0|2,0,0]=3 134 B8R1.2 CSc1cccnc1 TS05108 [1,0,0,0,0,0|2,0,0]=3 135 B8R1.2 CSc1cnccn1 TS55418 [1,0,0,0,0,0|3,0,0]=4 136 B8R1.2 CSc1ncccn1 TS36144 [1,0,0,0,0,0|3,0,0]=4 137 B8R1.2 C[NH2+]c1ccccc1 TS49917 [1,0,0,0,0,0|1,0,0]=2 138 B8R1.2 C[SiH2]c1ccccc1 TS04929 [1,0,0,0,0,0|0,1,0]=2 139 B8R1.2 [C-]#[N+]c1ccccc1 TS59810 [1,0,0,0,0,0|1,0,1]=3 140 B8R1.2 c1c(cncn1)CCl TS91001 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.2 c1c(cncn1)CCl TS91653 [1,0,0,0,0,0|3,0,0]=4 142 B8R1.2 c1c(cncn1)CN TS55503 [1,0,0,0,0,0|2,0,0]=3 143 B8R1.2 c1c(cncn1)CO TS55504 [1,0,0,0,0,0|3,0,0]=4 144 B8R1.2 c1c(cncn1)NN TS90574 [1,0,0,0,0,0|3,0,0]=4 145 B8R1.2 c1cc(cnc1)C#N TS02037 [1,0,0,0,0,0|1,0,2]=4 146 B8R1.2 c1cc(cnc1)CBr TS09437 [1,0,0,0,0,0|2,0,0]=3 147 B8R1.2 c1cc(cnc1)CCl TS00113 [1,0,0,0,0,0|2,0,0]=3 148 B8R1.2 c1cc(cnc1)CCl TS02031 [1,0,0,0,0,0|2,0,0]=3 149 B8R1.2 c1cc(cnc1)CI TS49544 [1,0,0,0,0,0|2,0,0]=3 150 B8R1.2 c1cc(cnc1)CI TS64566 [1,0,0,0,0,0|2,0,0]=3 151 B8R1.2 c1cc(cnc1)CN TS02883 [1,0,0,0,0,0|1,0,0]=2 152 B8R1.2 c1cc(cnc1)CO TS92960 [1,0,0,0,0,0|2,0,0]=3 153 B8R1.2 c1cc(cnc1)CO TS93835 [1,0,0,0,0,0|2,0,0]=3 154 B8R1.2 c1cc(cnc1)NN TS87727 [1,0,0,0,0,0|2,0,0]=3 155 B8R1.2 c1cc(nnc1)CCl TS90180 [1,0,0,0,0,0|3,0,0]=4 156 B8R1.2 c1cc(nnc1)CN TS90318 [1,0,0,0,0,0|2,0,0]=3 157 B8R1.2 c1cc(nnc1)CO TS59365 [1,0,0,0,0,0|3,0,0]=4 158 B8R1.2 c1ccc(cc1)C#N TS01882 [1,0,0,0,0,0|0,0,2]=3 159 B8R1.2 c1ccc(cc1)C#N TS80489 [1,0,0,0,0,0|0,0,2]=3 160 B8R1.2 c1ccc(cc1)C=O TS43757 [1,0,0,0,0,0|1,0,1]=3 161 B8R1.2 c1ccc(cc1)CCl TS36191 [1,0,0,0,0,0|1,0,0]=2 162 B8R1.2 c1ccc(cc1)CF TS31826 [1,0,0,0,0,0|1,0,0]=2 163 B8R1.2 c1ccc(cc1)CI TS09176 [1,0,0,0,0,0|1,0,0]=2 164 B8R1.2 c1ccc(cc1)CN TS01379 [1,0,0,0,0,0|0,0,0]=1 165 B8R1.2 c1ccc(cc1)CN TS40124 [1,0,0,0,0,0|0,0,0]=1 166 B8R1.2 c1ccc(cc1)CO TS31769 [1,0,0,0,0,0|1,0,0]=2 167 B8R1.2 c1ccc(cc1)CS TS36023 [1,0,0,0,0,0|1,0,0]=2 168 B8R1.2 c1ccc(cc1)I=O TS49692 [1,0,0,0,0,0|2,0,0]=3 169 B8R1.2 c1ccc(cc1)N=O TS31751 [1,0,0,0,0,0|2,0,0]=3 170 B8R1.2 c1ccc(cc1)NN TS07047 [1,0,0,0,0,0|1,0,0]=2 171 B8R1.2 c1ccc(cc1)NN TS31771 [1,0,0,0,0,0|1,0,0]=2 172 B8R1.2 c1ccc(cc1)NN TS61145 [1,0,0,0,0,0|1,0,0]=2 173 B8R1.2 c1ccc(cc1)NN TS76102 [1,0,0,0,0,0|1,0,0]=2 174 B8R1.2 c1ccc(cc1)NO TS31793 [1,0,0,0,0,0|2,0,0]=3 175 B8R1.2 c1ccc(cc1)NO TS37696 [1,0,0,0,0,0|2,0,0]=3 176 B8R1.2 c1ccc(cc1)ON TS07146 [1,0,0,0,0,0|1,0,0]=2 177 B8R1.2 c1ccc(cc1)[Hg]Cl TS76590 [1,0,0,0,0,0|2,0,0]=3 178 B8R1.2 c1ccc(cc1)[Hg]I TS69412 [1,0,0,0,0,0|2,0,0]=3 179 B8R1.2 c1ccc(cc1)[Mg]Br TS59811 [1,0,0,0,0,0|2,0,0]=3 180 B8R1.2 c1ccc(cc1)[Mg]Cl TS06150 [1,0,0,0,0,0|2,0,0]=3 181 B8R1.2 c1ccc(cc1)[Mg]I TS52700 [1,0,0,0,0,0|2,0,0]=3 182 B8R1.2 c1ccc(cc1)[N+]#N TS27981 [1,0,0,0,0,0|1,0,1]=3 183 B8R1.2 c1ccnc(c1)C#N TS59347 [1,0,0,0,0,0|1,0,2]=4 184 B8R1.2 c1ccnc(c1)C=O TS02469 [1,0,0,0,0,0|2,0,1]=4 185 B8R1.2 c1ccnc(c1)CBr TS47083 [1,0,0,0,0,0|2,0,0]=3 186 B8R1.2 c1ccnc(c1)CCl TS47089 [1,0,0,0,0,0|2,0,0]=3 187 B8R1.2 c1ccnc(c1)CCl TS47090 [1,0,0,0,0,0|2,0,0]=3 188 B8R1.2 c1ccnc(c1)CN TS00811 [1,0,0,0,0,0|1,0,0]=2 189 B8R1.2 c1ccnc(c1)CO TS07144 [1,0,0,0,0,0|2,0,0]=3 190 B8R1.2 c1ccnc(c1)CO TS31798 [1,0,0,0,0,0|2,0,0]=3 191 B8R1.2 c1ccnc(c1)CS TS05100 [1,0,0,0,0,0|2,0,0]=3 192 B8R1.2 c1ccnc(c1)NN TS14875 [1,0,0,0,0,0|2,0,0]=3 193 B8R1.2 c1ccnc(c1)NN TS55380 [1,0,0,0,0,0|2,0,0]=3 194 B8R1.2 c1cnc(cn1)CCl TS88127 [1,0,0,0,0,0|3,0,0]=4 195 B8R1.2 c1cnc(cn1)CN TS01661 [1,0,0,0,0,0|2,0,0]=3 196 B8R1.2 c1cnc(cn1)CO TS88438 [1,0,0,0,0,0|3,0,0]=4 197 B8R1.2 c1cnc(cn1)CS TS36139 [1,0,0,0,0,0|3,0,0]=4 198 B8R1.2 c1cnc(cn1)NN TS55379 [1,0,0,0,0,0|3,0,0]=4 199 B8R1.2 c1cnc(nc1)CCl TS47091 [1,0,0,0,0,0|3,0,0]=4 200 B8R1.2 c1cnc(nc1)CCl TS88108 [1,0,0,0,0,0|3,0,0]=4 201 B8R1.2 c1cnc(nc1)CN TS02480 [1,0,0,0,0,0|2,0,0]=3 202 B8R1.2 c1cnc(nc1)CO TS00517 [1,0,0,0,0,0|3,0,0]=4 203 B8R1.2 c1cnc(nc1)NN TS85548 [1,0,0,0,0,0|3,0,0]=4 204 B8R1.2 c1cnccc1C#N TS03069 [1,0,0,0,0,0|1,0,2]=4 205 B8R1.2 c1cnccc1C=O TS59369 [1,0,0,0,0,0|2,0,1]=4 206 B8R1.2 c1cnccc1CBr TS39318 [1,0,0,0,0,0|2,0,0]=3 207 B8R1.2 c1cnccc1CCl TS16903 [1,0,0,0,0,0|2,0,0]=3 208 B8R1.2 c1cnccc1CN TS31773 [1,0,0,0,0,0|1,0,0]=2 209 B8R1.2 c1cnccc1CO TS07149 [1,0,0,0,0,0|2,0,0]=3 210 B8R1.2 c1cnccc1CO TS71297 [1,0,0,0,0,0|2,0,0]=3 211 B8R1.2 c1cnccc1NN TS89841 [1,0,0,0,0,0|2,0,0]=3 212 B8R1.2 c1cncnc1CN TS16892 [1,0,0,0,0,0|2,0,0]=3 213 B8R1.2 c1cncnc1CN TS85609 [1,0,0,0,0,0|2,0,0]=3 214 B8R1.2 c1cncnc1CO TS33139 [1,0,0,0,0,0|3,0,0]=4 215 B8R1.2 c1cnncc1CN TS90837 [1,0,0,0,0,0|2,0,0]=3 216 B8R1.2 c1cnncc1CO TS89532 [1,0,0,0,0,0|3,0,0]=4 217 B10R1.1 C=CCc1ccc(cc1)O TS36845 [0,1,0,0,0,0|1,0,1]=3 218 B10R1.1 CCCc1ccc(cc1)Br TS54164 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.1 CCCc1ccc(cc1)C TS05929 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [0,1,0,0,0,0|1,0,0]=2 221 B10R1.1 CCCc1ccc(cc1)F TS07665 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.1 CCCc1ccc(cc1)I TS27402 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.1 CCCc1ccc(cc1)N TS36955 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.1 CCCc1ccc(cc1)O TS06088 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.1 CCCc1cnc(nc1)Cl TS10802 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.1 CCCc1cnc(nc1)N TS06200 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.1 CCCc1cnc(nc1)S TS41415 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.1 CCNc1ccc(cc1)C TS36952 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.1 CCNc1ccc(cc1)Cl TS10637 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.1 CCOc1ccc(cc1)Br TS38042 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.1 CCOc1ccc(cc1)C TS06082 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.1 CCOc1ccc(cc1)F TS37363 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.1 CCOc1ccc(cc1)I TS59517 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.1 CCOc1ccc(cc1)N TS33162 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.1 CCOc1ccc(cc1)N TS45702 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.1 CCOc1ccc(cc1)O TS06257 [0,1,0,0,0,0|2,0,0]=3 238 B10R1.1 CCOc1ccc(cn1)Br TS71417 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.1 CCOc1ccc(cn1)N TS37183 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.1 CCOc1ccc(nc1)Br TS19313 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.1 CCSc1ccc(cc1)Br TS49222 [0,1,0,0,0,0|2,0,0]=3 244 B10R1.1 CCSc1ccc(cc1)Cl TS13282 [0,1,0,0,0,0|2,0,0]=3 245 B10R1.1 CNCc1ccc(cc1)Cl TS08033 [0,1,0,0,0,0|2,0,0]=3 246 B10R1.1 COCc1ccc(cc1)F TS37375 [0,1,0,0,0,0|2,0,0]=3 247 B10R1.1 CSCc1ccc(cc1)Cl TS13281 [0,1,0,0,0,0|2,0,0]=3 248 B10R1.1 Cc1ccc(cc1)C=NO TS36931 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.1 Cc1ccc(cc1)CC#N TS03175 [0,1,0,0,0,0|0,0,2]=3 250 B10R1.1 Cc1ccc(cc1)CC=C TS05765 [0,1,0,0,0,0|1,0,1]=3 251 B10R1.1 Cc1ccc(cc1)CC=O TS59814 [0,1,0,0,0,0|1,0,1]=3 252 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [0,1,0,0,0,0|1,0,0]=2 253 B10R1.1 Cc1ccc(cc1)CCN TS36945 [0,1,0,0,0,0|0,0,0]=1 254 B10R1.1 Cc1ccc(cc1)CCO TS06073 [0,1,0,0,0,0|1,0,0]=2 255 B10R1.1 Cc1ccc(cc1)CNC TS01603 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.1 Cc1ccc(cc1)N=C=O TS01656 [0,1,0,0,0,0|2,0,1]=4 257 B10R1.1 Cc1ccc(cc1)N=C=S TS07589 [0,1,0,0,0,0|2,0,1]=4 258 B10R1.1 Cc1ccc(cc1)NC=O TS36928 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.1 Cc1ccc(cc1)SCCl TS13278 [0,1,0,0,0,0|2,0,0]=3 260 B10R1.1 Cc1ccc(cn1)CCO TS06184 [0,1,0,0,0,0|2,0,0]=3 261 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Br TS18167 [0,1,0,0,0,0|2,0,0]=3 262 B10R1.1 [C-]#[N+]Cc1ccc(cc1)Cl TS41066 [0,1,0,0,0,0|2,0,0]=3 263 B10R1.1 c1cc(ccc1C=NO)Cl TS09010 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.1 c1cc(ccc1C=NO)F TS37276 [0,1,0,0,0,0|2,0,1]=4 265 B10R1.1 c1cc(ccc1CC#N)Br TS71003 [0,1,0,0,0,0|0,0,2]=3 266 B10R1.1 c1cc(ccc1CC#N)Cl TS39554 [0,1,0,0,0,0|0,0,2]=3 267 B10R1.1 c1cc(ccc1CC#N)F TS09126 [0,1,0,0,0,0|0,0,2]=3 268 B10R1.1 c1cc(ccc1CC#N)I TS09719 [0,1,0,0,0,0|0,0,2]=3 269 B10R1.1 c1cc(ccc1CC#N)N TS05748 [0,1,0,0,0,0|0,0,2]=3 270 B10R1.1 c1cc(ccc1CC#N)N TS12627 [0,1,0,0,0,0|0,0,2]=3 271 B10R1.1 c1cc(ccc1CC#N)O TS59576 [0,1,0,0,0,0|0,0,2]=3 272 B10R1.1 c1cc(ccc1CC=O)Br TS59562 [0,1,0,0,0,0|1,0,1]=3 273 B10R1.1 c1cc(ccc1CC=O)Cl TS08034 [0,1,0,0,0,0|1,0,1]=3 274 B10R1.1 c1cc(ccc1CC=O)F TS47060 [0,1,0,0,0,0|1,0,1]=3 275 B10R1.1 c1cc(ccc1CC=O)N TS36921 [0,1,0,0,0,0|1,0,1]=3 276 B10R1.1 c1cc(ccc1CC=O)O TS36982 [0,1,0,0,0,0|1,0,1]=3 277 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [0,1,0,0,0,0|1,0,0]=2 278 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [0,1,0,0,0,0|1,0,0]=2 279 B10R1.1 c1cc(ccc1CCBr)F TS38380 [0,1,0,0,0,0|1,0,0]=2 280 B10R1.1 c1cc(ccc1CCBr)O TS38051 [0,1,0,0,0,0|1,0,0]=2 281 B10R1.1 c1cc(ccc1CCCl)F TS11092 [0,1,0,0,0,0|1,0,0]=2 282 B10R1.1 c1cc(ccc1CCN)Br TS34272 [0,1,0,0,0,0|0,0,0]=1 283 B10R1.1 c1cc(ccc1CCN)Br TS71000 [0,1,0,0,0,0|0,0,0]=1 284 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [0,1,0,0,0,0|0,0,0]=1 285 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [0,1,0,0,0,0|0,0,0]=1 286 B10R1.1 c1cc(ccc1CCN)F TS03097 [0,1,0,0,0,0|0,0,0]=1 287 B10R1.1 c1cc(ccc1CCN)F TS13760 [0,1,0,0,0,0|0,0,0]=1 288 B10R1.1 c1cc(ccc1CCN)I TS27555 [0,1,0,0,0,0|0,0,0]=1 289 B10R1.1 c1cc(ccc1CCN)N TS09521 [0,1,0,0,0,0|0,0,0]=1 290 B10R1.1 c1cc(ccc1CCN)N TS37024 [0,1,0,0,0,0|0,0,0]=1 291 B10R1.1 c1cc(ccc1CCN)O TS01822 [0,1,0,0,0,0|0,0,0]=1 292 B10R1.1 c1cc(ccc1CCN)O TS39727 [0,1,0,0,0,0|0,0,0]=1 293 B10R1.1 c1cc(ccc1CCO)Br TS16460 [0,1,0,0,0,0|1,0,0]=2 294 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [0,1,0,0,0,0|1,0,0]=2 295 B10R1.1 c1cc(ccc1CCO)F TS39509 [0,1,0,0,0,0|1,0,0]=2 296 B10R1.1 c1cc(ccc1CCO)N TS39616 [0,1,0,0,0,0|1,0,0]=2 297 B10R1.1 c1cc(ccc1CCO)O TS47066 [0,1,0,0,0,0|1,0,0]=2 298 B10R1.1 c1cc(ccc1CNN)Br TS91149 [0,1,0,0,0,0|1,0,0]=2 299 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [0,1,0,0,0,0|1,0,0]=2 300 B10R1.1 c1cc(ccc1CNN)F TS88239 [0,1,0,0,0,0|1,0,0]=2 301 B10R1.1 c1cc(ccc1CNN)F TS94903 [0,1,0,0,0,0|1,0,0]=2 302 B10R1.1 c1cc(ccc1CO[NH3+])Cl TS39582 [0,1,0,0,0,0|1,0,1]=3 303 B10R1.1 c1cc(ccc1CO[NH3+])F TS93852 [0,1,0,0,0,0|1,0,1]=3 304 B10R1.1 c1cc(ccc1N)N=[N+]=[N-] TS45244 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.1 c1cc(ccc1N=C=O)Br TS53945 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.1 c1cc(ccc1N=C=O)Cl TS09683 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.1 c1cc(ccc1N=C=O)F TS01852 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.1 c1cc(ccc1N=C=O)I TS62098 [0,1,0,0,0,0|2,0,1]=4 309 B10R1.1 c1cc(ccc1N=C=S)Br TS44460 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.1 c1cc(ccc1N=C=S)Cl TS09684 [0,1,0,0,0,0|2,0,1]=4 311 B10R1.1 c1cc(ccc1N=C=S)F TS03101 [0,1,0,0,0,0|2,0,1]=4 312 B10R1.1 c1cc(ccc1NC=O)Cl TS10616 [0,1,0,0,0,0|2,0,1]=4 313 B10R1.1 c1cc(ccc1NC=O)F TS37270 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.1 c1cc(ccc1NC=O)O TS37097 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.1 c1cc(ncc1Br)CC#N TS59677 [0,1,0,0,0,0|1,0,2]=4 316 B10R1.1 c1cc(ncc1Br)CCN TS88073 [0,1,0,0,0,0|1,0,0]=2 317 B10R1.1 c1cc(ncc1Br)CCO TS86702 [0,1,0,0,0,0|2,0,0]=3 318 B10R1.1 c1cc(ncc1CC#N)Cl TS00897 [0,1,0,0,0,0|1,0,2]=4 319 B10R1.4 C=CCc1ccccc1Cl TS41221 [0,1,0,0,0,0|1,0,1]=3 320 B10R1.4 C=CCc1ccccc1O TS36846 [0,1,0,0,0,0|1,0,1]=3 321 B10R1.4 C=CCn1ccccc1=O TS36913 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.4 CC=Cc1ccccc1O TS36834 [0,1,0,0,0,0|1,0,2]=4 323 B10R1.4 CCCc1ccccc1C TS05927 [0,1,0,0,0,0|1,0,0]=2 324 B10R1.4 CCCc1ccccc1N TS36961 [0,1,0,0,0,0|1,0,0]=2 325 B10R1.4 CCCc1ccccc1O TS06077 [0,1,0,0,0,0|1,0,0]=2 326 B10R1.4 CCCn1ccccc1=O TS37115 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.4 CCNc1ccccc1C TS06011 [0,1,0,0,0,0|2,0,0]=3 328 B10R1.4 CCNc1ccccc1F TS37294 [0,1,0,0,0,0|2,0,0]=3 329 B10R1.4 CCOc1c(cccn1)Br TS19321 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.4 CCOc1c(cccn1)I TS27857 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.4 CCOc1ccccc1Br TS39657 [0,1,0,0,0,0|2,0,0]=3 332 B10R1.4 CCOc1ccccc1Cl TS41727 [0,1,0,0,0,0|2,0,0]=3 333 B10R1.4 CCOc1ccccc1F TS37374 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.4 CCOc1ccccc1N TS37118 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.4 CCOc1ccccc1N TS45700 [0,1,0,0,0,0|2,0,0]=3 336 B10R1.4 CCOc1ccccc1O TS06253 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.4 CCOc1ccccc1S TS41408 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.4 CCOc1cccnc1Br TS19312 [0,1,0,0,0,0|3,0,0]=4 339 B10R1.4 CCOc1cccnc1N TS37190 [0,1,0,0,0,0|3,0,0]=4 340 B10R1.4 CCOc1ccncc1Br TS19320 [0,1,0,0,0,0|3,0,0]=4 341 B10R1.4 CCOc1ccncc1N TS37196 [0,1,0,0,0,0|3,0,0]=4 342 B10R1.4 CCOc1cnccc1Br TS38195 [0,1,0,0,0,0|3,0,0]=4 343 B10R1.4 CCSc1ccccc1Br TS49221 [0,1,0,0,0,0|2,0,0]=3 344 B10R1.4 CCSc1ccccc1O TS41412 [0,1,0,0,0,0|2,0,0]=3 345 B10R1.4 CNCc1c(cccn1)F TS86149 [0,1,0,0,0,0|3,0,0]=4 346 B10R1.4 CNCc1ccccc1Cl TS56333 [0,1,0,0,0,0|2,0,0]=3 347 B10R1.4 CNCc1ccccc1O TS45699 [0,1,0,0,0,0|2,0,0]=3 348 B10R1.4 COCc1ccccc1F TS37369 [0,1,0,0,0,0|2,0,0]=3 349 B10R1.4 Cc1c(cccn1)CCO TS37129 [0,1,0,0,0,0|2,0,0]=3 350 B10R1.4 Cc1ccccc1CC#N TS05669 [0,1,0,0,0,0|0,0,2]=3 351 B10R1.4 Cc1ccccc1CC=C TS05766 [0,1,0,0,0,0|1,0,1]=3 352 B10R1.4 Cc1ccccc1CCBr TS54167 [0,1,0,0,0,0|1,0,0]=2 353 B10R1.4 Cc1ccccc1CCO TS37017 [0,1,0,0,0,0|1,0,0]=2 354 B10R1.4 Cc1ccccc1CNC TS36965 [0,1,0,0,0,0|2,0,0]=3 355 B10R1.4 Cc1ccccc1N=C=O TS16709 [0,1,0,0,0,0|2,0,1]=4 356 B10R1.4 Cc1ccccc1N=C=S TS40763 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.4 Cc1ccccc1NC=O TS36923 [0,1,0,0,0,0|2,0,1]=4 358 B10R1.4 [C-]#[N+]Cc1ccccc1Cl TS41069 [0,1,0,0,0,0|2,0,0]=3 359 B10R1.4 c1cc(c(nc1)CC#N)Br TS86311 [0,1,0,0,0,0|1,0,2]=4 360 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [0,1,0,0,0,0|1,0,0]=2 361 B10R1.4 c1cc(c(nc1)Cl)CC#N TS86278 [0,1,0,0,0,0|1,0,2]=4 362 B10R1.4 c1ccc(c(c1)C=NN)O TS06061 [0,1,0,0,0,0|1,0,1]=3 363 B10R1.4 c1ccc(c(c1)C=NO)Br TS18942 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.4 c1ccc(c(c1)C=NO)Cl TS10612 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.4 c1ccc(c(c1)C=NO)F TS37272 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.4 c1ccc(c(c1)C=NO)O TS06160 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.4 c1ccc(c(c1)CC#N)Br TS00857 [0,1,0,0,0,0|0,0,2]=3 368 B10R1.4 c1ccc(c(c1)CC#N)Cl TS02146 [0,1,0,0,0,0|0,0,2]=3 369 B10R1.4 c1ccc(c(c1)CC#N)F TS65431 [0,1,0,0,0,0|0,0,2]=3 370 B10R1.4 c1ccc(c(c1)CC#N)I TS01084 [0,1,0,0,0,0|0,0,2]=3 371 B10R1.4 c1ccc(c(c1)CC#N)N TS47469 [0,1,0,0,0,0|0,0,2]=3 372 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [0,1,0,0,0,0|1,0,0]=2 373 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [0,1,0,0,0,0|1,0,0]=2 374 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [0,1,0,0,0,0|0,0,0]=1 375 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [0,1,0,0,0,0|0,0,0]=1 376 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [0,1,0,0,0,0|0,0,0]=1 377 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [0,1,0,0,0,0|0,0,0]=1 378 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [0,1,0,0,0,0|0,0,0]=1 379 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [0,1,0,0,0,0|0,0,0]=1 380 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [0,1,0,0,0,0|1,0,0]=2 381 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [0,1,0,0,0,0|1,0,0]=2 382 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [0,1,0,0,0,0|1,0,0]=2 383 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [0,1,0,0,0,0|1,0,0]=2 384 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [0,1,0,0,0,0|1,0,0]=2 385 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [0,1,0,0,0,0|1,0,0]=2 386 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [0,1,0,0,0,0|1,0,0]=2 387 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [0,1,0,0,0,0|1,0,0]=2 388 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [0,1,0,0,0,0|1,0,0]=2 389 B10R1.4 c1ccc(c(c1)CON)F TS93890 [0,1,0,0,0,0|1,0,0]=2 390 B10R1.4 c1ccc(c(c1)CON)I TS94168 [0,1,0,0,0,0|1,0,0]=2 391 B10R1.4 c1ccc(c(c1)CO[NH3+])Br TS26271 [0,1,0,0,0,0|1,0,1]=3 392 B10R1.4 c1ccc(c(c1)CO[NH3+])Cl TS17764 [0,1,0,0,0,0|1,0,1]=3 393 B10R1.4 c1ccc(c(c1)N=C=O)Br TS53946 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.4 c1ccc(c(c1)N=C=O)Cl TS10358 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.4 c1ccc(c(c1)N=C=O)F TS37082 [0,1,0,0,0,0|2,0,1]=4 396 B10R1.4 c1ccc(c(c1)N=C=O)I TS62099 [0,1,0,0,0,0|2,0,1]=4 397 B10R1.4 c1ccc(c(c1)N=C=S)Br TS44458 [0,1,0,0,0,0|2,0,1]=4 398 B10R1.4 c1ccc(c(c1)N=C=S)Cl TS12736 [0,1,0,0,0,0|2,0,1]=4 399 B10R1.4 c1ccc(c(c1)N=C=S)F TS41282 [0,1,0,0,0,0|2,0,1]=4 400 B10R1.4 c1ccc(c(c1)NC=O)Cl TS10621 [0,1,0,0,0,0|2,0,1]=4 401 B10R1.4 c1ccc(c(c1)NC=O)O TS37102 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.10 C=CCc1cccc(c1)F TS36995 [0,1,0,0,0,0|1,0,1]=3 403 B10R1.10 CCCc1cccc(c1)C TS36863 [0,1,0,0,0,0|1,0,0]=2 404 B10R1.10 CCCc1cccc(c1)O TS70692 [0,1,0,0,0,0|1,0,0]=2 405 B10R1.10 CCCc1cccc(n1)N TS55636 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.10 CCCc1ccnc(c1)N TS06105 [0,1,0,0,0,0|2,0,0]=3 407 B10R1.10 CCNc1cccc(c1)C TS06008 [0,1,0,0,0,0|2,0,0]=3 408 B10R1.10 CCOc1cc(ccn1)Br TS39324 [0,1,0,0,0,0|3,0,0]=4 409 B10R1.10 CCOc1cc(ccn1)N TS39272 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.10 CCOc1cc(cnc1)Br TS32931 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.10 CCOc1cccc(c1)Br TS65957 [0,1,0,0,0,0|2,0,0]=3 412 B10R1.10 CCOc1cccc(c1)C TS06098 [0,1,0,0,0,0|2,0,0]=3 413 B10R1.10 CCOc1cccc(c1)F TS37372 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.10 CCOc1cccc(c1)N TS37121 [0,1,0,0,0,0|2,0,0]=3 415 B10R1.10 CCOc1cccc(c1)O TS06261 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.10 CCOc1cccc(c1)S TS41409 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.10 CCOc1cccc(n1)Br TS19319 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.10 CCOc1cccc(n1)Cl TS41836 [0,1,0,0,0,0|3,0,0]=4 419 B10R1.10 CCOc1cccc(n1)N TS37195 [0,1,0,0,0,0|3,0,0]=4 420 B10R1.10 CCOc1ccnc(c1)Cl TS10912 [0,1,0,0,0,0|3,0,0]=4 421 B10R1.10 CCOc1ccnc(c1)F TS06579 [0,1,0,0,0,0|3,0,0]=4 422 B10R1.10 CCOc1ccnc(c1)N TS06274 [0,1,0,0,0,0|3,0,0]=4 423 B10R1.10 CNCc1cc(ccn1)Br TS19154 [0,1,0,0,0,0|3,0,0]=4 424 B10R1.10 CNCc1cc(cnc1)Br TS19151 [0,1,0,0,0,0|3,0,0]=4 425 B10R1.10 CNCc1cccc(c1)Cl TS08974 [0,1,0,0,0,0|2,0,0]=3 426 B10R1.10 CNCc1cccc(c1)N TS37043 [0,1,0,0,0,0|2,0,0]=3 427 B10R1.10 CNCc1ccnc(c1)Cl TS41733 [0,1,0,0,0,0|3,0,0]=4 428 B10R1.10 COCc1cccc(c1)F TS37370 [0,1,0,0,0,0|2,0,0]=3 429 B10R1.10 Cc1cccc(c1)CC#N TS05673 [0,1,0,0,0,0|0,0,2]=3 430 B10R1.10 Cc1cccc(c1)CCBr TS54163 [0,1,0,0,0,0|1,0,0]=2 431 B10R1.10 Cc1cccc(c1)CCN TS45399 [0,1,0,0,0,0|0,0,0]=1 432 B10R1.10 Cc1cccc(c1)CCN TS70669 [0,1,0,0,0,0|0,0,0]=1 433 B10R1.10 Cc1cccc(c1)CCO TS37008 [0,1,0,0,0,0|1,0,0]=2 434 B10R1.10 Cc1cccc(c1)CNC TS36964 [0,1,0,0,0,0|2,0,0]=3 435 B10R1.10 Cc1cccc(c1)N=C=O TS36748 [0,1,0,0,0,0|2,0,1]=4 436 B10R1.10 Cc1cccc(c1)N=C=S TS07590 [0,1,0,0,0,0|2,0,1]=4 437 B10R1.10 Cc1cccc(c1)NC=O TS36924 [0,1,0,0,0,0|2,0,1]=4 438 B10R1.10 Cc1cccc(n1)CCO TS37109 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.10 Cc1cccc(n1)CNC TS65175 [0,1,0,0,0,0|3,0,0]=4 440 B10R1.10 c1c(cncc1Br)CC#N TS08044 [0,1,0,0,0,0|1,0,2]=4 441 B10R1.10 c1c(cncc1Br)CNN TS92508 [0,1,0,0,0,0|2,0,0]=3 442 B10R1.10 c1c(cncc1F)CC#N TS90421 [0,1,0,0,0,0|1,0,2]=4 443 B10R1.10 c1cc(cc(c1)Br)C=NO TS18932 [0,1,0,0,0,0|2,0,1]=4 444 B10R1.10 c1cc(cc(c1)Br)CC#N TS09489 [0,1,0,0,0,0|0,0,2]=3 445 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [0,1,0,0,0,0|0,0,0]=1 446 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [0,1,0,0,0,0|0,0,0]=1 447 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [0,1,0,0,0,0|1,0,0]=2 448 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [0,1,0,0,0,0|1,0,0]=2 449 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [0,1,0,0,0,0|1,0,0]=2 450 B10R1.10 c1cc(cc(c1)Br)C[Mg]Br TS33588 [0,1,0,0,0,0|2,0,0]=3 451 B10R1.10 c1cc(cc(c1)Br)N=C=S TS44459 [0,1,0,0,0,0|2,0,1]=4 452 B10R1.10 c1cc(cc(c1)Cl)C=NO TS16733 [0,1,0,0,0,0|2,0,1]=4 453 B10R1.10 c1cc(cc(c1)Cl)CC#N TS01789 [0,1,0,0,0,0|0,0,2]=3 454 B10R1.10 c1cc(cc(c1)Cl)CC=O TS10528 [0,1,0,0,0,0|1,0,1]=3 455 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [0,1,0,0,0,0|1,0,0]=2 456 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [0,1,0,0,0,0|0,0,0]=1 457 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [0,1,0,0,0,0|1,0,0]=2 458 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [0,1,0,0,0,0|1,0,0]=2 459 B10R1.10 c1cc(cc(c1)Cl)CO[NH3+] TS17763 [0,1,0,0,0,0|1,0,1]=3 460 B10R1.10 c1cc(cc(c1)Cl)N=C=O TS10357 [0,1,0,0,0,0|2,0,1]=4 461 B10R1.10 c1cc(cc(c1)Cl)N=C=S TS12739 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.10 c1cc(cc(c1)F)C=NO TS37269 [0,1,0,0,0,0|2,0,1]=4 463 B10R1.10 c1cc(cc(c1)F)CC#N TS70595 [0,1,0,0,0,0|0,0,2]=3 464 B10R1.10 c1cc(cc(c1)F)CC=O TS37173 [0,1,0,0,0,0|1,0,1]=3 465 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [0,1,0,0,0,0|1,0,0]=2 466 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [0,1,0,0,0,0|0,0,0]=1 467 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [0,1,0,0,0,0|1,0,0]=2 468 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [0,1,0,0,0,0|1,0,0]=2 469 B10R1.10 c1cc(cc(c1)F)CON TS93853 [0,1,0,0,0,0|1,0,0]=2 470 B10R1.10 c1cc(cc(c1)F)N=C=O TS37081 [0,1,0,0,0,0|2,0,1]=4 471 B10R1.10 c1cc(cc(c1)F)N=C=S TS10317 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.10 c1cc(cc(c1)I)CC#N TS26962 [0,1,0,0,0,0|0,0,2]=3 473 B10R1.10 c1cc(cc(c1)I)N=C=S TS68450 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [0,1,0,0,0,0|1,0,0]=2 475 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [0,1,0,0,0,0|0,0,0]=1 476 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [0,1,0,0,0,0|1,0,0]=2 477 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [0,1,0,0,0,0|1,0,0]=2 478 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [0,1,0,0,0,0|1,0,0]=2 479 B10R1.10 c1cnc(cc1CCN)Br TS49022 [0,1,0,0,0,0|1,0,0]=2 480 B10R1.15 C#CC(c1ccccc1)O TS36663 [0,1,0,0,0,0|1,0,1]=3 481 B10R1.15 C=C(CO)c1ccncc1 TS36912 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.15 C=CC(c1ccccc1)Cl TS41223 [0,1,0,0,0,0|1,0,1]=3 483 B10R1.15 C=CC(c1ccccc1)O TS36829 [0,1,0,0,0,0|1,0,1]=3 484 B10R1.15 C=CS(=O)c1ccccc1 TS41168 [0,1,0,0,0,0|2,0,1]=4 485 B10R1.15 C=C[C@@H](c1ccccc1)O TS36848 [0,1,0,0,0,0|1,0,1]=3 486 B10R1.15 C=C[C@H](c1ccccc1)O TS36828 [0,1,0,0,0,0|1,0,1]=3 487 B10R1.15 CC(=NN)c1ccccc1 TS05912 [0,1,0,0,0,0|1,0,1]=3 488 B10R1.15 CC(=NO)c1ccccc1 TS36930 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.15 CC(CBr)c1ccccc1 TS54166 [0,1,0,0,0,0|1,0,0]=2 490 B10R1.15 CC(CN)c1ccccc1 TS36949 [0,1,0,0,0,0|0,0,0]=1 491 B10R1.15 CC(CO)c1ccccc1 TS06093 [0,1,0,0,0,0|1,0,0]=2 492 B10R1.15 CC(c1ccccc1)[N+]#[C-] TS05667 [0,1,0,0,0,0|2,0,0]=3 493 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,1,0,0,0,0|1,0,2]=4 494 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,1,0,0,0,0|1,0,1]=3 495 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,1,0,0,0,0|1,0,1]=3 496 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,1,0,0,0,0|2,0,1]=4 498 B10R1.15 CCC(=O)c1ccncc1 TS36919 [0,1,0,0,0,0|2,0,1]=4 499 B10R1.15 CCC(C)c1ccccc1 TS36864 [0,1,0,0,0,0|1,0,0]=2 500 B10R1.15 CCC(C)c1cnccn1 TS37025 [0,1,0,0,0,0|3,0,0]=4 501 B10R1.15 CCC(c1ccccc1)N TS36947 [0,1,0,0,0,0|1,0,0]=2 502 B10R1.15 CCC(c1ccccc1)O TS37007 [0,1,0,0,0,0|1,0,0]=2 503 B10R1.15 CCC(c1ccncc1)N TS06101 [0,1,0,0,0,0|2,0,0]=3 504 B10R1.15 CCC(c1cnccn1)N TS90912 [0,1,0,0,0,0|3,0,0]=4 505 B10R1.15 CCN(C)c1ccccc1 TS36948 [0,1,0,0,0,0|2,0,0]=3 506 B10R1.15 CCN(c1ccccc1)N TS06110 [0,1,0,0,0,0|2,0,0]=3 507 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,1,0,0,0,0|1,0,0]=2 508 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [0,1,0,0,0,0|1,0,0]=2 509 B10R1.15 CN(C=O)c1ccccc1 TS36925 [0,1,0,0,0,0|2,0,1]=4 510 B10R1.15 CN(c1ccccc1)N=O TS06063 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,1,0,0,0,0|2,0,1]=4 513 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,1,0,0,0,0|2,0,1]=4 514 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [0,1,0,0,0,0|0,0,0]=1 516 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [0,1,0,0,0,0|1,0,0]=2 517 B10R1.15 C[C@@H](c1ccccc1)NC TS36939 [0,1,0,0,0,0|2,0,0]=3 518 B10R1.15 C[C@@H](c1ccccc1)NO TS37112 [0,1,0,0,0,0|2,0,0]=3 519 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [0,1,0,0,0,0|0,0,0]=1 520 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [0,1,0,0,0,0|1,0,0]=2 521 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [0,1,0,0,0,0|0,0,1]=2 522 B10R1.15 C[C@H](c1ccccc1)NC TS39981 [0,1,0,0,0,0|2,0,0]=3 523 B10R1.15 C[C@H](c1ccccc1)NO TS06188 [0,1,0,0,0,0|2,0,0]=3 524 B10R1.15 C[C@H](c1ccccc1)[N+]#[C-] TS05668 [0,1,0,0,0,0|2,0,0]=3 525 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,1,0,0,0,0|2,0,1]=4 526 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,1,0,0,0,0|2,0,1]=4 527 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [0,1,0,0,0,0|2,0,1]=4 528 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [0,1,0,0,0,0|1,0,0]=2 529 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [0,1,0,0,0,0|2,0,0]=3 530 B10R1.15 c1ccc(cc1)C(=CBr)Br TS29726 [0,1,0,0,0,0|1,0,2]=4 531 B10R1.15 c1ccc(cc1)C(=NN)Cl TS41464 [0,1,0,0,0,0|1,0,1]=3 532 B10R1.15 c1ccc(cc1)C(=NO)Cl TS10615 [0,1,0,0,0,0|2,0,1]=4 533 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [0,1,0,0,0,0|0,0,3]=4 534 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,1,0,0,0,0|1,0,2]=4 535 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [0,1,0,0,0,0|1,0,1]=3 536 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [0,1,0,0,0,0|1,0,1]=3 537 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,1,0,0,0,0|0,0,1]=2 538 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [0,1,0,0,0,0|1,0,1]=3 539 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,1,0,0,0,0|1,0,1]=3 540 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,1,0,0,0,0|2,0,1]=4 541 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,1,0,0,0,0|2,0,1]=4 542 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,1,0,0,0,0|2,0,1]=4 543 B10R1.15 c1ccc(cc1)C(C#N)Br TS18169 [0,1,0,0,0,0|0,0,2]=3 544 B10R1.15 c1ccc(cc1)C(C#N)N TS22755 [0,1,0,0,0,0|0,0,2]=3 545 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [0,1,0,0,0,0|1,0,0]=2 546 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [0,1,0,0,0,0|1,0,0]=2 547 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [0,1,0,0,0,0|0,0,0]=1 548 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [0,1,0,0,0,0|0,0,0]=1 549 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [0,1,0,0,0,0|0,0,0]=1 550 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [0,1,0,0,0,0|0,0,0]=1 551 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [0,1,0,0,0,0|1,0,0]=2 552 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [0,1,0,0,0,0|1,0,0]=2 553 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS10566 [0,1,0,0,0,0|3,0,0]=4 554 B10R1.15 c1ccc(cc1)N(N=O)[O-] TS70284 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.15 c1ccc(cc1)S(=O)CCl TS45878 [0,1,0,0,0,0|2,0,0]=3 556 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [0,1,0,0,0,0|1,0,0]=2 557 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [0,1,0,0,0,0|0,0,0]=1 558 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [0,1,0,0,0,0|1,0,0]=2 559 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [0,1,0,0,0,0|1,0,0]=2 560 B10R1.15 c1ccc(cc1)[C@H](C#N)O TS36753 [0,1,0,0,0,0|0,0,2]=3 561 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [0,1,0,0,0,0|1,0,0]=2 562 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [0,1,0,0,0,0|0,0,0]=1 563 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [0,1,0,0,0,0|1,0,0]=2 564 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [0,1,0,0,0,0|1,0,0]=2 565 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,1,0,0,0,0|2,0,1]=4 566 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,1,0,0,0,0|2,0,1]=4 567 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [0,1,0,0,0,0|2,0,1]=4 568 B10R1.15 c1cnccc1C(=O)CBr TS16896 [0,1,0,0,0,0|2,0,1]=4 569 B10R1.15 c1cnccc1C(=O)NN TS06172 [0,1,0,0,0,0|2,0,1]=4 570 B10R1.15 c1cnccc1C(CN)O TS43948 [0,1,0,0,0,0|1,0,0]=2 571 B10R1.17 C#CCCc1ccccc1 TS36511 [0,1,0,0,0,0|1,0,0]=2 572 B10R1.17 C#CCOc1ccccc1 TS36668 [0,1,0,0,0,0|1,0,1]=3 573 B10R1.17 C#CCSc1ccccc1 TS07496 [0,1,0,0,0,0|1,0,1]=3 574 B10R1.17 C=CC=Cc1ccccc1 TS36510 [0,1,0,0,0,0|1,0,2]=4 575 B10R1.17 C=CCCc1ccccc1 TS36707 [0,1,0,0,0,0|1,0,0]=2 576 B10R1.17 C=CCCc1ccncc1 TS36777 [0,1,0,0,0,0|2,0,0]=3 577 B10R1.17 C=CCNc1ccccc1 TS05848 [0,1,0,0,0,0|1,0,1]=3 578 B10R1.17 C=CCOc1ccccc1 TS36847 [0,1,0,0,0,0|1,0,1]=3 579 B10R1.17 C=CCOc1ccccn1 TS36929 [0,1,0,0,0,0|2,0,1]=4 580 B10R1.17 C=CCSc1ccccc1 TS40921 [0,1,0,0,0,0|1,0,1]=3 581 B10R1.17 CC=CCc1ccccc1 TS36709 [0,1,0,0,0,0|1,0,1]=3 582 B10R1.17 CCC#Cc1ccccc1 TS36516 [0,1,0,0,0,0|1,0,1]=3 583 B10R1.17 CCC=Cc1ccccc1 TS36700 [0,1,0,0,0,0|1,0,1]=3 584 B10R1.17 CCCC[n+]1ccccc1 TS21989 [0,1,0,0,0,0|2,0,0]=3 585 B10R1.17 CCCC[n+]1ccccc1 TS45400 [0,1,0,0,0,0|2,0,0]=3 586 B10R1.17 CCCCc1ccccc1 TS36870 [0,1,0,0,0,0|1,0,0]=2 587 B10R1.17 CCCCc1ccccn1 TS06002 [0,1,0,0,0,0|2,0,0]=3 588 B10R1.17 CCCCc1cccnc1 TS06012 [0,1,0,0,0,0|2,0,0]=3 589 B10R1.17 CCCCc1ccncc1 TS06014 [0,1,0,0,0,0|2,0,0]=3 590 B10R1.17 CCCNc1ccccc1 TS36942 [0,1,0,0,0,0|1,0,0]=2 591 B10R1.17 CCCOc1ccccc1 TS37010 [0,1,0,0,0,0|1,0,0]=2 592 B10R1.17 CCCSc1ccccc1 TS41194 [0,1,0,0,0,0|1,0,0]=2 593 B10R1.17 CCN=Cc1ccccc1 TS05847 [0,1,0,0,0,0|1,0,1]=3 594 B10R1.17 CCNCc1ccccc1 TS06015 [0,1,0,0,0,0|1,0,0]=2 595 B10R1.17 CCNCc1ccncc1 TS37037 [0,1,0,0,0,0|2,0,0]=3 596 B10R1.17 CCOCc1ccccc1 TS37009 [0,1,0,0,0,0|1,0,0]=2 597 B10R1.17 CCSCc1ccccc1 TS41200 [0,1,0,0,0,0|1,0,0]=2 598 B10R1.17 CNCCc1ccccc1 TS01606 [0,1,0,0,0,0|0,0,0]=1 599 B10R1.17 CNCCc1ccccn1 TS37041 [0,1,0,0,0,0|1,0,0]=2 600 B10R1.17 CNCCc1ccccn1 TS63536 [0,1,0,0,0,0|1,0,0]=2 601 B10R1.17 CNCCc1ccccn1 TS65180 [0,1,0,0,0,0|1,0,0]=2 602 B10R1.17 CNCCc1cccnc1 TS08004 [0,1,0,0,0,0|1,0,0]=2 603 B10R1.17 CNCCc1ccncc1 TS37035 [0,1,0,0,0,0|1,0,0]=2 604 B10R1.17 COC=Cc1ccccc1 TS36842 [0,1,0,0,0,0|1,0,2]=4 605 B10R1.17 COC=Nc1ccccc1 TS36922 [0,1,0,0,0,0|2,0,1]=4 606 B10R1.17 COCCc1ccccc1 TS06081 [0,1,0,0,0,0|1,0,0]=2 607 B10R1.17 COCCc1ccccn1 TS06192 [0,1,0,0,0,0|2,0,0]=3 608 B10R1.17 COCOc1ccccc1 TS06260 [0,1,0,0,0,0|2,0,0]=3 609 B10R1.17 COCOc1cccnc1 TS06375 [0,1,0,0,0,0|3,0,0]=4 610 B10R1.17 COCSc1ccccc1 TS10468 [0,1,0,0,0,0|2,0,0]=3 611 B10R1.17 CSCOc1ccccc1 TS10467 [0,1,0,0,0,0|2,0,0]=3 612 B10R1.17 CSSCc1ccccc1 TS12900 [0,1,0,0,0,0|2,0,0]=3 613 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [0,1,0,0,0,0|0,0,1]=2 614 B10R1.17 c1cc(cnc1)C=CCCl TS12428 [0,1,0,0,0,0|2,0,1]=4 615 B10R1.17 c1cc(cnc1)CCC#N TS05740 [0,1,0,0,0,0|1,0,1]=3 616 B10R1.17 c1cc(cnc1)CCCO TS37116 [0,1,0,0,0,0|2,0,0]=3 617 B10R1.17 c1cc(cnc1)CN=C=S TS25028 [0,1,0,0,0,0|2,0,1]=4 618 B10R1.17 c1ccc(cc1)C#CC=O TS05539 [0,1,0,0,0,0|1,0,2]=4 619 B10R1.17 c1ccc(cc1)C#CCCl TS09975 [0,1,0,0,0,0|1,0,1]=3 620 B10R1.17 c1ccc(cc1)C#CCN TS05672 [0,1,0,0,0,0|0,0,1]=2 621 B10R1.17 c1ccc(cc1)C#CCO TS36664 [0,1,0,0,0,0|1,0,1]=3 622 B10R1.17 c1ccc(cc1)C#C[Mg]Br TS38873 [0,1,0,0,0,0|1,0,2]=4 623 B10R1.17 c1ccc(cc1)C=CC#N TS05462 [0,1,0,0,0,0|0,0,3]=4 624 B10R1.17 c1ccc(cc1)C=CC=O TS39725 [0,1,0,0,0,0|1,0,2]=4 625 B10R1.17 c1ccc(cc1)C=CCBr TS53806 [0,1,0,0,0,0|1,0,1]=3 626 B10R1.17 c1ccc(cc1)C=CCCl TS41222 [0,1,0,0,0,0|1,0,1]=3 627 B10R1.17 c1ccc(cc1)C=CCO TS36831 [0,1,0,0,0,0|1,0,1]=3 628 B10R1.17 c1ccc(cc1)CCC#N TS56176 [0,1,0,0,0,0|0,0,1]=2 629 B10R1.17 c1ccc(cc1)CCC=O TS01796 [0,1,0,0,0,0|1,0,0]=2 630 B10R1.17 c1ccc(cc1)CCCCl TS41470 [0,1,0,0,0,0|1,0,0]=2 631 B10R1.17 c1ccc(cc1)CCCN TS36954 [0,1,0,0,0,0|0,0,0]=1 632 B10R1.17 c1ccc(cc1)CCCO TS37013 [0,1,0,0,0,0|1,0,0]=2 633 B10R1.17 c1ccc(cc1)CCCS TS41196 [0,1,0,0,0,0|1,0,0]=2 634 B10R1.17 c1ccc(cc1)CCNN TS06106 [0,1,0,0,0,0|0,0,0]=1 635 B10R1.17 c1ccc(cc1)CN=C=O TS36745 [0,1,0,0,0,0|1,0,1]=3 636 B10R1.17 c1ccc(cc1)CN=C=S TS40764 [0,1,0,0,0,0|1,0,1]=3 637 B10R1.17 c1ccc(cc1)CN=[N+]=[N-] TS36764 [0,1,0,0,0,0|1,0,1]=3 638 B10R1.17 c1ccc(cc1)CNC=O TS36937 [0,1,0,0,0,0|1,0,1]=3 639 B10R1.17 c1ccc(cc1)COC=O TS36984 [0,1,0,0,0,0|1,0,1]=3 640 B10R1.17 c1ccc(cc1)COCCl TS39818 [0,1,0,0,0,0|1,0,0]=2 641 B10R1.17 c1ccc(cc1)CSC#N TS07591 [0,1,0,0,0,0|0,0,2]=3 642 B10R1.17 c1ccc(cc1)CSCBr TS22173 [0,1,0,0,0,0|1,0,0]=2 643 B10R1.17 c1ccc(cc1)CSCCl TS13275 [0,1,0,0,0,0|1,0,0]=2 644 B10R1.17 c1ccc(cc1)C[Se]C#N TS53598 [0,1,0,0,0,0|0,0,2]=3 645 B10R1.17 c1ccc(cc1)NCCN TS37036 [0,1,0,0,0,0|0,0,0]=1 646 B10R1.17 c1ccc(cc1)NCCO TS37110 [0,1,0,0,0,0|1,0,0]=2 647 B10R1.17 c1ccc(cc1)NNC=O TS06048 [0,1,0,0,0,0|2,0,1]=4 648 B10R1.17 c1ccc(cc1)OCC=O TS36991 [0,1,0,0,0,0|1,0,1]=3 649 B10R1.17 c1ccc(cc1)OCCBr TS55768 [0,1,0,0,0,0|1,0,0]=2 650 B10R1.17 c1ccc(cc1)OCCCl TS10798 [0,1,0,0,0,0|1,0,0]=2 651 B10R1.17 c1ccc(cc1)OCCN TS65630 [0,1,0,0,0,0|0,0,0]=1 652 B10R1.17 c1ccc(cc1)OCCO TS06243 [0,1,0,0,0,0|1,0,0]=2 653 B10R1.17 c1ccc(cc1)SCC#N TS40766 [0,1,0,0,0,0|0,0,2]=3 654 B10R1.17 c1ccc(cc1)SCCBr TS49223 [0,1,0,0,0,0|1,0,0]=2 655 B10R1.17 c1ccc(cc1)SCCCl TS13277 [0,1,0,0,0,0|1,0,0]=2 656 B10R1.17 c1ccc(cc1)SCCO TS10471 [0,1,0,0,0,0|1,0,0]=2 657 B10R1.17 c1ccnc(c1)CCCCl TS10631 [0,1,0,0,0,0|2,0,0]=3 658 B10R1.17 c1ccnc(c1)CCCO TS02471 [0,1,0,0,0,0|2,0,0]=3 659 B10R1.17 c1ccnc(c1)NCCO TS45873 [0,1,0,0,0,0|2,0,0]=3 660 B10R1.17 c1ccnc(c1)SCCO TS10597 [0,1,0,0,0,0|2,0,0]=3 661 B10R1.17 c1cnccc1CCCN TS37023 [0,1,0,0,0,0|1,0,0]=2 662 B10R1.17 c1cnccc1CCCO TS37120 [0,1,0,0,0,0|2,0,0]=3 663 B10R1.17 c1cnccc1NCCN TS45706 [0,1,0,0,0,0|1,0,0]=2 664 B10R1.18 B(Cc1ccccc1)(O)O TS01380 [0,1,0,0,0,0|2,0,0]=3 665 B10R1.18 CC(=C)Cc1ccccc1 TS36701 [0,1,0,0,0,0|1,0,1]=3 666 B10R1.18 CC(=Cc1ccccc1)C TS36699 [0,1,0,0,0,0|1,0,2]=4 667 B10R1.18 CC(=O)C[n+]1ccccc1 TS21976 [0,1,0,0,0,0|2,0,1]=4 668 B10R1.18 CC(=O)C[n+]1ccccc1 TS45387 [0,1,0,0,0,0|2,0,1]=4 669 B10R1.18 CC(=O)Cc1ccccc1 TS36838 [0,1,0,0,0,0|1,0,1]=3 670 B10R1.18 CC(=O)Cc1ccccn1 TS47028 [0,1,0,0,0,0|2,0,1]=4 671 B10R1.18 CC(=O)Cc1cccnc1 TS36918 [0,1,0,0,0,0|2,0,1]=4 672 B10R1.18 CC(=O)Cc1cccnc1 TS45385 [0,1,0,0,0,0|2,0,1]=4 673 B10R1.18 CC(=O)Cc1ccncc1 TS29470 [0,1,0,0,0,0|2,0,1]=4 674 B10R1.18 CC(=O)Nc1ccccc1 TS36935 [0,1,0,0,0,0|2,0,1]=4 675 B10R1.18 CC(=O)Sc1ccccc1 TS41167 [0,1,0,0,0,0|2,0,1]=4 676 B10R1.18 CC(=S)Nc1ccccc1 TS10093 [0,1,0,0,0,0|2,0,1]=4 677 B10R1.18 CC(C)Cc1ccccc1 TS74509 [0,1,0,0,0,0|1,0,0]=2 678 B10R1.18 CC(C)Cc1ccccn1 TS36960 [0,1,0,0,0,0|2,0,0]=3 679 B10R1.18 CC(C)Cc1cccnc1 TS06005 [0,1,0,0,0,0|2,0,0]=3 680 B10R1.18 CC(C)Cc1ccncc1 TS06006 [0,1,0,0,0,0|2,0,0]=3 681 B10R1.18 CC(C)Cc1cnccn1 TS06100 [0,1,0,0,0,0|3,0,0]=4 682 B10R1.18 CC(C)Nc1ccccc1 TS56404 [0,1,0,0,0,0|2,0,0]=3 683 B10R1.18 CC(C)Nc1cccnc1 TS64905 [0,1,0,0,0,0|3,0,0]=4 684 B10R1.18 CC(C)Nc1ccncc1 TS64906 [0,1,0,0,0,0|3,0,0]=4 685 B10R1.18 CC(C)Sc1ccccc1 TS41201 [0,1,0,0,0,0|2,0,0]=3 686 B10R1.18 CC(Cc1ccccc1)Br TS55076 [0,1,0,0,0,0|1,0,0]=2 687 B10R1.18 CC(Cc1ccccc1)N TS06010 [0,1,0,0,0,0|0,0,0]=1 688 B10R1.18 CC(Cc1ccccc1)O TS47018 [0,1,0,0,0,0|1,0,0]=2 689 B10R1.18 CC(Cc1ccccn1)N TS46983 [0,1,0,0,0,0|1,0,0]=2 690 B10R1.18 CC(Cc1cccnc1)N TS00050 [0,1,0,0,0,0|1,0,0]=2 691 B10R1.18 CN(C)Cc1ccccc1 TS06009 [0,1,0,0,0,0|2,0,0]=3 692 B10R1.18 CN(C)Cc1ccccc1 TS45394 [0,1,0,0,0,0|2,0,0]=3 693 B10R1.18 CS(=O)Cc1ccccc1 TS10469 [0,1,0,0,0,0|2,0,0]=3 694 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [0,1,0,0,0,0|0,0,0]=1 695 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [0,1,0,0,0,0|0,0,0]=1 696 B10R1.18 C[SiH](C)Cc1ccccc1 TS40934 [0,1,0,0,0,0|1,1,0]=3 697 B10R1.18 c1cc(cnc1)CC(=O)O TS94291 [0,1,0,0,0,0|2,0,1]=4 698 B10R1.18 c1cc(cnc1)CC(=O)O TS94292 [0,1,0,0,0,0|2,0,1]=4 699 B10R1.18 c1cc(cnc1)NC(=S)N TS59320 [0,1,0,0,0,0|2,0,1]=4 700 B10R1.18 c1cc[n+](cc1)CC(=O)N TS45571 [0,1,0,0,0,0|1,0,1]=3 701 B10R1.18 c1cc[n+](cc1)CC(=O)O TS13410 [0,1,0,0,0,0|2,0,1]=4 702 B10R1.18 c1ccc(cc1)CC(=O)Cl TS59338 [0,1,0,0,0,0|1,0,1]=3 703 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,1,0,0,0,0|0,0,1]=2 704 B10R1.18 c1ccc(cc1)CC(=O)O TS06169 [0,1,0,0,0,0|1,0,1]=3 705 B10R1.18 c1ccc(cc1)CC(=O)O TS37162 [0,1,0,0,0,0|1,0,1]=3 706 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS41860 [0,1,0,0,0,0|1,0,1]=3 707 B10R1.18 c1ccc(cc1)CC(=O)[O-] TS45813 [0,1,0,0,0,0|1,0,1]=3 708 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [0,1,0,0,0,0|0,0,1]=2 709 B10R1.18 c1ccc(cc1)N=C(N)N TS53990 [0,1,0,0,0,0|1,0,1]=3 710 B10R1.18 c1ccc(cc1)NC(=N)N TS53844 [0,1,0,0,0,0|1,0,1]=3 711 B10R1.18 c1ccc(cc1)NC(=O)F TS37274 [0,1,0,0,0,0|2,0,1]=4 712 B10R1.18 c1ccc(cc1)NC(=O)N TS06065 [0,1,0,0,0,0|1,0,1]=3 713 B10R1.18 c1ccc(cc1)NC(=S)N TS41175 [0,1,0,0,0,0|1,0,1]=3 714 B10R1.18 c1ccc(cc1)OC(=O)Cl TS10789 [0,1,0,0,0,0|2,0,1]=4 715 B10R1.18 c1ccc(cc1)OC(=O)N TS06164 [0,1,0,0,0,0|1,0,1]=3 716 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45574 [0,1,0,0,0,0|2,0,1]=4 717 B10R1.18 c1ccc(cc1)OC(=S)Cl TS45577 [0,1,0,0,0,0|2,0,1]=4 718 B10R1.18 c1ccc(cc1)OC(F)F TS06920 [0,1,0,0,0,0|2,0,0]=3 719 B10R1.18 c1ccc(cc1)OP(Cl)Cl TS17988 [0,1,0,0,0,0|3,0,0]=4 720 B10R1.18 c1ccc(cc1)SC(=S)Cl TS16100 [0,1,0,0,0,0|2,0,1]=4 721 B10R1.18 c1ccc(cc1)[SiH2]C(Cl)Cl TS17240 [0,1,0,0,0,0|1,1,0]=3 722 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [0,1,0,0,0,0|1,0,1]=3 723 B10R1.18 c1ccnc(c1)CC(=O)O TS02474 [0,1,0,0,0,0|2,0,1]=4 724 B10R1.18 c1ccnc(c1)NC(=O)N TS06170 [0,1,0,0,0,0|2,0,1]=4 725 B10R1.18 c1cnccc1CC(=O)N TS36994 [0,1,0,0,0,0|1,0,1]=3 726 B10R1.18 c1cnccc1CC(=S)Cl TS45391 [0,1,0,0,0,0|2,0,1]=4 727 B10R1.18 c1cnccc1CC(=S)O TS20061 [0,1,0,0,0,0|2,0,1]=4 728 B10R1.18 c1cnccc1NC(=S)N TS41286 [0,1,0,0,0,0|2,0,1]=4 729 B8R0.4 CCCC=CC=CC=O TS36011 [0,0,1,0,0,0|2,0,0]=3 730 B8R0.4 CCCC=CC=CCO TS36154 [0,0,1,0,0,0|2,0,1]=4 731 B8R0.4 CCCCC=CC=CC TS05047 [0,0,1,0,0,0|1,0,2]=4 732 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [0,0,0,1,0,0|1,0,0]=2 733 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [0,0,0,1,0,0|1,0,0]=2 734 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [0,0,0,1,0,0|1,0,0]=2 735 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [0,0,0,1,0,0|1,0,0]=2 736 B10R2.6 c1cnc(nc1)C2CC2 TS89415 [0,0,0,1,0,0|3,0,0]=4 737 B10R2.7 B1Oc2ccccc2O1 TS39809 [0,0,0,1,0,0|3,0,0]=4 738 B10R2.7 C1CC2=C(C1)CC=CC2 TS04827 [0,0,0,1,0,0|1,0,2]=4 739 B10R2.7 C1CC2C=CC=CC2C1 TS61035 [0,0,0,1,0,0|1,0,2]=4 740 B10R2.7 C1CC2C=CC=CC2C1 TS64668 [0,0,0,1,0,0|1,0,2]=4 741 B10R2.7 C1CC2C=CC=CC2C1 TS78604 [0,0,0,1,0,0|1,0,2]=4 742 B10R2.7 C1CC2C=CC=CC2C1 TS80786 [0,0,0,1,0,0|1,0,2]=4 743 B10R2.7 c1c[nH]c2c1ccnc2 TS01216 [0,0,0,1,0,0|1,0,2]=4 744 B10R2.7 c1c[nH]c2c1cncc2 TS71394 [0,0,0,1,0,0|1,0,2]=4 745 B10R2.7 c1cc2c(cc[nH]2)nc1 TS70929 [0,0,0,1,0,0|1,0,2]=4 746 B10R2.7 c1cc2c(cn[nH]2)nc1 TS39228 [0,0,0,1,0,0|2,0,1]=4 747 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [0,0,0,1,0,0|2,0,0]=3 748 B10R2.7 c1cc2c(nc1)CNC2 TS01200 [0,0,0,1,0,0|3,0,0]=4 749 B10R2.7 c1cc2c(nc1)CNC2 TS90710 [0,0,0,1,0,0|3,0,0]=4 750 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [0,0,0,1,0,0|1,0,0]=2 751 B10R2.7 c1cc2c(nc1)nn[nH]2 TS32417 [0,0,0,1,0,0|3,0,0]=4 752 B10R2.7 c1cc2cc[nH]c2nc1 TS01299 [0,0,0,1,0,0|1,0,2]=4 753 B10R2.7 c1cc2cn[nH]c2nc1 TS04782 [0,0,0,1,0,0|2,0,1]=4 754 B10R2.7 c1ccc2c(c1)CC=C2 TS21648 [0,0,0,1,0,0|1,0,1]=3 755 B10R2.7 c1ccc2c(c1)CC=C2 TS39603 [0,0,0,1,0,0|1,0,1]=3 756 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [0,0,0,1,0,0|1,0,0]=2 757 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [0,0,0,1,0,0|0,0,0]=1 758 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [0,0,0,1,0,0|1,0,0]=2 759 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [0,0,0,1,0,0|1,0,0]=2 760 B10R2.7 c1ccc2c(c1)COC2 TS04810 [0,0,0,1,0,0|2,0,0]=3 761 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [0,0,0,1,0,0|1,0,0]=2 762 B10R2.7 c1ccc2c(c1)OCO2 TS39811 [0,0,0,1,0,0|2,0,0]=3 763 B10R2.7 c1ccc2c(c1)SCS2 TS26450 [0,0,0,1,0,0|2,0,0]=3 764 B10R2.7 c1ccc2c(c1)[nH]cn2 TS04721 [0,0,0,1,0,0|1,0,1]=3 765 B10R2.7 c1ccc2c(c1)[nH]nn2 TS04780 [0,0,0,1,0,0|2,0,0]=3 766 B10R2.7 c1ccc2c(c1)cc[nH]2 TS59671 [0,0,0,1,0,0|0,0,2]=3 767 B10R2.7 c1ccc2c(c1)cc[se]2 TS48035 [0,0,0,1,0,0|1,0,2]=4 768 B10R2.7 c1ccc2c(c1)cco2 TS39813 [0,0,0,1,0,0|1,0,2]=4 769 B10R2.7 c1ccc2c(c1)ccs2 TS55756 [0,0,0,1,0,0|1,0,2]=4 770 B10R2.7 c1ccc2c(c1)cn[nH]2 TS04722 [0,0,0,1,0,0|1,0,1]=3 771 B10R2.7 c1ccc2c(c1)cn[nH]2 TS72162 [0,0,0,1,0,0|1,0,1]=3 772 B10R2.7 c1ccc2c(c1)cno2 TS32395 [0,0,0,1,0,0|2,0,1]=4 773 B10R2.7 c1ccc2c(c1)cns2 TS06001 [0,0,0,1,0,0|2,0,1]=4 774 B10R2.7 c1ccc2c(c1)con2 TS32394 [0,0,0,1,0,0|1,0,2]=4 775 B10R2.7 c1ccc2c(c1)nco2 TS32393 [0,0,0,1,0,0|1,0,2]=4 776 B10R2.7 c1ccc2c(c1)ncs2 TS05999 [0,0,0,1,0,0|1,0,2]=4 777 B10R2.7 c1ccc2c(c1)nns2 TS37006 [0,0,0,1,0,0|2,0,1]=4 778 B10R2.7 c1ccc2c(c1)non2 TS47106 [0,0,0,1,0,0|2,0,1]=4 779 B10R2.7 c1ccc2c(c1)nsn2 TS85179 [0,0,0,1,0,0|2,0,1]=4 780 B10R2.7 c1cncc2c1CNC2 TS00566 [0,0,0,1,0,0|3,0,0]=4 781 B10R2.7 c1cncc2c1CNC2 TS41735 [0,0,0,1,0,0|3,0,0]=4 782 B10R2.7 c1cncc2c1[nH]nc2 TS88164 [0,0,0,1,0,0|2,0,1]=4 783 B10R2.7 c1cncc2c1cn[nH]2 TS00456 [0,0,0,1,0,0|2,0,1]=4 784 B10R2.7 c1cncc2c1nc[nH]2 TS88066 [0,0,0,1,0,0|2,0,1]=4 785 B10R2.320 c1ccc2c(c1)CC2=O TS55758 [0,0,0,1,0,0|1,0,1]=3 786 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [0,0,0,1,0,0|1,0,0]=2 787 B8R1.8 CCCc1[nH]ccn1 TS02464 [0,0,0,0,1,0|3,0,0]=4 788 B8R1.8 CCCc1ccco1 TS31836 [0,0,0,0,1,0|2,0,0]=3 789 B8R1.8 CCCc1cccs1 TS36171 [0,0,0,0,1,0|2,0,0]=3 790 B8R1.8 CCCc1ccsc1 TS36172 [0,0,0,0,1,0|2,0,0]=3 791 B8R1.8 CCCn1ccnc1 TS04208 [0,0,0,0,1,0|3,0,0]=4 792 B8R1.8 CCNc1cccs1 TS36245 [0,0,0,0,1,0|3,0,0]=4 793 B8R1.8 CNCc1ccco1 TS04251 [0,0,0,0,1,0|3,0,0]=4 794 B8R1.8 CNCc1ccco1 TS07391 [0,0,0,0,1,0|3,0,0]=4 795 B8R1.8 CNCc1cccs1 TS01562 [0,0,0,0,1,0|3,0,0]=4 796 B8R1.8 CNCc1cccs1 TS11775 [0,0,0,0,1,0|3,0,0]=4 797 B8R1.8 COCc1ccco1 TS31900 [0,0,0,0,1,0|3,0,0]=4 798 B8R1.8 CSCc1ccco1 TS05367 [0,0,0,0,1,0|3,0,0]=4 799 B8R1.8 c1c(cn[nH]1)CCCl TS12337 [0,0,0,0,1,0|3,0,0]=4 800 B8R1.8 c1c(cn[nH]1)CCO TS59575 [0,0,0,0,1,0|3,0,0]=4 801 B8R1.8 c1c(con1)CCO TS04371 [0,0,0,0,1,0|3,0,0]=4 802 B8R1.8 c1c(nc[nH]1)CCO TS65017 [0,0,0,0,1,0|3,0,0]=4 803 B8R1.8 c1c(ncs1)CCN TS36318 [0,0,0,0,1,0|2,0,0]=3 804 B8R1.8 c1c[nH]nc1CCN TS31879 [0,0,0,0,1,0|2,0,0]=3 805 B8R1.8 c1cc(oc1)CCO TS31915 [0,0,0,0,1,0|2,0,0]=3 806 B8R1.8 c1cc(sc1)CC#N TS65657 [0,0,0,0,1,0|1,0,2]=4 807 B8R1.8 c1cc(sc1)CCBr TS51245 [0,0,0,0,1,0|2,0,0]=3 808 B8R1.8 c1cc(sc1)CCN TS46632 [0,0,0,0,1,0|1,0,0]=2 809 B8R1.8 c1cc(sc1)CCN TS65662 [0,0,0,0,1,0|1,0,0]=2 810 B8R1.8 c1cc(sc1)CCN TS93665 [0,0,0,0,1,0|1,0,0]=2 811 B8R1.8 c1cc(sc1)CCO TS65661 [0,0,0,0,1,0|2,0,0]=3 812 B8R1.8 c1cc(sc1)CNN TS86129 [0,0,0,0,1,0|2,0,0]=3 813 B8R1.8 c1ccn(c1)CCBr TS08145 [0,0,0,0,1,0|2,0,0]=3 814 B8R1.8 c1ccn(c1)CCCl TS05507 [0,0,0,0,1,0|2,0,0]=3 815 B8R1.8 c1ccn(c1)CCN TS08216 [0,0,0,0,1,0|1,0,0]=2 816 B8R1.8 c1ccn(c1)CCO TS31872 [0,0,0,0,1,0|2,0,0]=3 817 B8R1.8 c1cn(cn1)CCN TS85402 [0,0,0,0,1,0|2,0,0]=3 818 B8R1.8 c1cn(cn1)CCO TS04290 [0,0,0,0,1,0|3,0,0]=4 819 B8R1.8 c1cnc([nH]1)CCO TS04288 [0,0,0,0,1,0|3,0,0]=4 820 B8R1.8 c1cnn(c1)CCBr TS01977 [0,0,0,0,1,0|3,0,0]=4 821 B8R1.8 c1cnn(c1)CCCl TS36568 [0,0,0,0,1,0|3,0,0]=4 822 B8R1.8 c1cnn(c1)CCO TS04285 [0,0,0,0,1,0|3,0,0]=4 823 B8R1.8 c1coc(n1)CCN TS00111 [0,0,0,0,1,0|2,0,0]=3 824 B8R1.8 c1csc(n1)CCN TS11967 [0,0,0,0,1,0|2,0,0]=3 825 B8R1.8 c1csc[n+]1CCO TS20846 [0,0,0,0,1,0|3,0,0]=4 826 B8R1.8 c1cscc1CC#N TS32584 [0,0,0,0,1,0|1,0,2]=4 827 B8R1.8 c1cscc1CC#N TS83998 [0,0,0,0,1,0|1,0,2]=4 828 B8R1.8 c1cscc1CCN TS36246 [0,0,0,0,1,0|1,0,0]=2 829 B8R1.8 c1cscc1CCO TS01729 [0,0,0,0,1,0|2,0,0]=3 830 B8R1.8 c1cscc1CCO TS37040 [0,0,0,0,1,0|2,0,0]=3 831 B8R1.8 c1cscc1CNN TS89281 [0,0,0,0,1,0|2,0,0]=3 832 B8R1.8 c1nc([nH]n1)CCN TS04300 [0,0,0,0,1,0|3,0,0]=4 833 B8R1.8 c1ncn(n1)CCN TS15418 [0,0,0,0,1,0|3,0,0]=4 834 B8R1.8 c1ncn(n1)CCN TS47333 [0,0,0,0,1,0|3,0,0]=4 835 B8R1.8 c1nnc(s1)CCN TS89796 [0,0,0,0,1,0|3,0,0]=4 836 B7R0.1 CCC=CC=CC=O TS04199 [1,0,1,0,0,0|1,0,0]=3 837 B7R0.1 CCC=CC=CCO TS31934 [1,0,1,0,0,0|1,0,1]=4 838 B7R0.1 CCCC=CC=CC TS31845 [1,0,1,0,0,0|0,0,2]=4 839 B7R0.1 CCCC=CCC=C TS31855 [1,0,1,0,0,0|0,0,2]=4 840 B7R0.1 CCCCC=CC=C TS31850 [1,0,1,0,0,0|0,0,2]=4 841 B7R0.3 CCC(=CCC=C)C TS04221 [1,0,1,0,0,0|0,0,2]=4 842 B7R0.3 COC(=O)C=CC=C TS31908 [1,0,1,0,0,0|2,0,0]=4 843 B7R1.3 B=N1=CC=CC=C1 TS71871 [2,0,0,0,0,0|2,0,0]=4 844 B7R1.3 CC1CC=CC=C1 TS03676 [2,0,0,0,0,0|0,0,2]=4 845 B7R1.3 C[n+]1ccccc1 TS05508 [2,0,0,0,0,0|1,0,0]=3 846 B7R1.3 C[n+]1ccccc1 TS45717 [2,0,0,0,0,0|1,0,0]=3 847 B7R1.3 Cc1ccccc1 TS71861 [2,0,0,0,0,0|0,0,0]=2 848 B7R1.3 Cc1ccccn1 TS71881 [2,0,0,0,0,0|1,0,0]=3 849 B7R1.3 Cc1ccccn1 TS93768 [2,0,0,0,0,0|1,0,0]=3 850 B7R1.3 Cc1cccnc1 TS39719 [2,0,0,0,0,0|1,0,0]=3 851 B7R1.3 Cc1cccnn1 TS70675 [2,0,0,0,0,0|2,0,0]=4 852 B7R1.3 Cc1ccncc1 TS02242 [2,0,0,0,0,0|1,0,0]=3 853 B7R1.3 Cc1ccncn1 TS71236 [2,0,0,0,0,0|2,0,0]=4 854 B7R1.3 Cc1ccnnc1 TS03181 [2,0,0,0,0,0|2,0,0]=4 855 B7R1.3 Cc1cnccn1 TS02445 [2,0,0,0,0,0|2,0,0]=4 856 B7R1.3 Cc1cncnc1 TS01164 [2,0,0,0,0,0|2,0,0]=4 857 B7R1.3 Cc1ncccn1 TS59978 [2,0,0,0,0,0|2,0,0]=4 858 B7R1.3 [Li]c1ccccc1 TS03475 [2,0,0,0,0,0|1,0,0]=3 859 B7R1.3 c1c(cncn1)N TS71385 [2,0,0,0,0,0|2,0,0]=4 860 B7R1.3 c1cc(cnc1)Br TS09497 [2,0,0,0,0,0|2,0,0]=4 861 B7R1.3 c1cc(cnc1)Cl TS66010 [2,0,0,0,0,0|2,0,0]=4 862 B7R1.3 c1cc(cnc1)F TS02768 [2,0,0,0,0,0|2,0,0]=4 863 B7R1.3 c1cc(cnc1)I TS70634 [2,0,0,0,0,0|2,0,0]=4 864 B7R1.3 c1cc(cnc1)N TS02672 [2,0,0,0,0,0|1,0,0]=3 865 B7R1.3 c1cc(cnc1)O TS32269 [2,0,0,0,0,0|2,0,0]=4 866 B7R1.3 c1cc(nnc1)N TS02670 [2,0,0,0,0,0|2,0,0]=4 867 B7R1.3 c1cc(nnc1)N TS02671 [2,0,0,0,0,0|2,0,0]=4 868 B7R1.3 c1cc[n+](cc1)F TS15405 [2,0,0,0,0,0|2,0,0]=4 869 B7R1.3 c1cc[n+](cc1)N TS50044 [2,0,0,0,0,0|1,0,0]=3 870 B7R1.3 c1ccc(cc1)Br TS33230 [2,0,0,0,0,0|1,0,0]=3 871 B7R1.3 c1ccc(cc1)Cl TS39829 [2,0,0,0,0,0|1,0,0]=3 872 B7R1.3 c1ccc(cc1)F TS03718 [2,0,0,0,0,0|1,0,0]=3 873 B7R1.3 c1ccc(cc1)I TS01502 [2,0,0,0,0,0|1,0,0]=3 874 B7R1.3 c1ccc(cc1)I TS09193 [2,0,0,0,0,0|1,0,0]=3 875 B7R1.3 c1ccc(cc1)N TS05506 [2,0,0,0,0,0|0,0,0]=2 876 B7R1.3 c1ccc(cc1)N TS17238 [2,0,0,0,0,0|0,0,0]=2 877 B7R1.3 c1ccc(cc1)N TS31115 [2,0,0,0,0,0|0,0,0]=2 878 B7R1.3 c1ccc(cc1)N TS45718 [2,0,0,0,0,0|0,0,0]=2 879 B7R1.3 c1ccc(cc1)N TS50550 [2,0,0,0,0,0|0,0,0]=2 880 B7R1.3 c1ccc(cc1)N TS71877 [2,0,0,0,0,0|0,0,0]=2 881 B7R1.3 c1ccc(cc1)O TS03667 [2,0,0,0,0,0|1,0,0]=3 882 B7R1.3 c1ccc(cc1)P TS04186 [2,0,0,0,0,0|0,1,0]=3 883 B7R1.3 c1ccc(cc1)S TS04213 [2,0,0,0,0,0|1,0,0]=3 884 B7R1.3 c1ccc(cc1)[AsH2] TS10367 [2,0,0,0,0,0|0,1,0]=3 885 B7R1.3 c1ccc(cc1)[O-] TS31486 [2,0,0,0,0,0|1,0,0]=3 886 B7R1.3 c1ccc(cc1)[O-] TS45086 [2,0,0,0,0,0|1,0,0]=3 887 B7R1.3 c1ccc(cc1)[S-] TS13286 [2,0,0,0,0,0|1,0,0]=3 888 B7R1.3 c1ccc(cc1)[S-] TS36665 [2,0,0,0,0,0|1,0,0]=3 889 B7R1.3 c1ccc(cc1)[SiH3] TS04151 [2,0,0,0,0,0|0,1,0]=3 890 B7R1.3 c1ccc(cc1)[Zn+] TS23551 [2,0,0,0,0,0|1,0,0]=3 891 B7R1.3 c1ccn(=O)cc1 TS60161 [2,0,0,0,0,0|2,0,0]=4 892 B7R1.3 c1ccnc(c1)Cl TS02148 [2,0,0,0,0,0|2,0,0]=4 893 B7R1.3 c1ccnc(c1)F TS60290 [2,0,0,0,0,0|2,0,0]=4 894 B7R1.3 c1ccnc(c1)I TS01085 [2,0,0,0,0,0|2,0,0]=4 895 B7R1.3 c1ccnc(c1)N TS03671 [2,0,0,0,0,0|1,0,0]=3 896 B7R1.3 c1ccnc(c1)O TS03693 [2,0,0,0,0,0|2,0,0]=4 897 B7R1.3 c1ccnc(c1)S TS31885 [2,0,0,0,0,0|2,0,0]=4 898 B7R1.3 c1ccnc(c1)[Zn+] TS50356 [2,0,0,0,0,0|2,0,0]=4 899 B7R1.3 c1ccoc(=O)c1 TS03711 [2,0,0,0,0,0|2,0,0]=4 900 B7R1.3 c1cnc(cn1)N TS00818 [2,0,0,0,0,0|2,0,0]=4 901 B7R1.3 c1cnc(nc1)N TS00821 [2,0,0,0,0,0|2,0,0]=4 902 B7R1.3 c1cnccc1Br TS57179 [2,0,0,0,0,0|2,0,0]=4 903 B7R1.3 c1cnccc1Cl TS09693 [2,0,0,0,0,0|2,0,0]=4 904 B7R1.3 c1cnccc1I TS09722 [2,0,0,0,0,0|2,0,0]=4 905 B7R1.3 c1cnccc1N TS70921 [2,0,0,0,0,0|1,0,0]=3 906 B7R1.3 c1cnccc1O TS87252 [2,0,0,0,0,0|2,0,0]=4 907 B7R1.3 c1cnccc1S TS31884 [2,0,0,0,0,0|2,0,0]=4 908 B7R1.3 c1cncnc1N TS70922 [2,0,0,0,0,0|2,0,0]=4 909 B7R1.3 c1cnncc1N TS70920 [2,0,0,0,0,0|2,0,0]=4 910 B7R1.3 c1cnncc1N TS92859 [2,0,0,0,0,0|2,0,0]=4 911 B7R1.3 c1coccc1=O TS39928 [2,0,0,0,0,0|2,0,0]=4 912 B9R0.45 CCCCC=CC=CC=O TS37223 [0,1,1,0,0,0|1,0,1]=4 913 B9R0.15 CCCC(=CC=C)C(=O)O TS06475 [0,1,1,0,0,0|2,0,0]=4 914 B9R1.1 C#Cc1ccc(cc1)Br TS39997 [1,1,0,0,0,0|0,0,2]=4 915 B9R1.1 C#Cc1ccc(cc1)Cl TS46931 [1,1,0,0,0,0|0,0,2]=4 916 B9R1.1 C#Cc1ccc(cc1)F TS07664 [1,1,0,0,0,0|0,0,2]=4 917 B9R1.1 C#Cc1ccc(cc1)N TS04675 [1,1,0,0,0,0|0,0,2]=4 918 B9R1.1 C#Cc1ccc(cc1)O TS71112 [1,1,0,0,0,0|0,0,2]=4 919 B9R1.1 C=Cc1ccc(cc1)Br TS48376 [1,1,0,0,0,0|0,0,2]=4 920 B9R1.1 C=Cc1ccc(cc1)Cl TS37254 [1,1,0,0,0,0|0,0,2]=4 921 B9R1.1 C=Cc1ccc(cc1)F TS32505 [1,1,0,0,0,0|0,0,2]=4 922 B9R1.1 C=Cc1ccc(cc1)N TS04791 [1,1,0,0,0,0|0,0,2]=4 923 B9R1.1 C=Cc1ccc(cc1)O TS71308 [1,1,0,0,0,0|0,0,2]=4 924 B9R1.1 CCc1ccc(cc1)Br TS01944 [1,1,0,0,0,0|0,0,0]=2 925 B9R1.1 CCc1ccc(cc1)Cl TS37449 [1,1,0,0,0,0|0,0,0]=2 926 B9R1.1 CCc1ccc(cc1)F TS05030 [1,1,0,0,0,0|0,0,0]=2 927 B9R1.1 CCc1ccc(cc1)I TS25158 [1,1,0,0,0,0|0,0,0]=2 928 B9R1.1 CCc1ccc(cc1)N TS04870 [1,1,0,0,0,0|0,0,0]=2 929 B9R1.1 CCc1ccc(cc1)O TS04905 [1,1,0,0,0,0|0,0,0]=2 930 B9R1.1 CCc1ccc(cc1)S TS06298 [1,1,0,0,0,0|0,0,0]=2 931 B9R1.1 CCc1ccc(cc1)[Zn+] TS55970 [1,1,0,0,0,0|0,0,0]=2 932 B9R1.1 CCc1ccc(nc1)C TS32477 [1,1,0,0,0,0|1,0,0]=3 933 B9R1.1 CCc1ccc(nc1)O TS04959 [1,1,0,0,0,0|1,0,0]=3 934 B9R1.1 CCc1cnc(nc1)Cl TS55238 [1,1,0,0,0,0|2,0,0]=4 935 B9R1.1 CCc1cnc(nc1)N TS03294 [1,1,0,0,0,0|2,0,0]=4 936 B9R1.1 CCc1ncc(cn1)N TS86011 [1,1,0,0,0,0|2,0,0]=4 937 B9R1.1 CN1C=CC(=CN1)CN TS89058 [1,1,0,0,0,0|2,0,0]=4 938 B9R1.1 CNc1ccc(cc1)Br TS48830 [1,1,0,0,0,0|1,0,0]=3 939 B9R1.1 CNc1ccc(cc1)Cl TS37534 [1,1,0,0,0,0|1,0,0]=3 940 B9R1.1 CNc1ccc(cc1)F TS36055 [1,1,0,0,0,0|1,0,0]=3 941 B9R1.1 CNc1ccc(cc1)I TS32640 [1,1,0,0,0,0|1,0,0]=3 942 B9R1.1 CNc1ccc(cc1)N TS04921 [1,1,0,0,0,0|1,0,0]=3 943 B9R1.1 CNc1ccc(cc1)N TS17998 [1,1,0,0,0,0|1,0,0]=3 944 B9R1.1 CNc1ccc(cc1)O TS04963 [1,1,0,0,0,0|1,0,0]=3 945 B9R1.1 CNc1ccc(cc1)O TS78698 [1,1,0,0,0,0|1,0,0]=3 946 B9R1.1 CNc1ccc(nc1)Br TS49023 [1,1,0,0,0,0|2,0,0]=4 947 B9R1.1 COc1ccc(cc1)Cl TS37682 [1,1,0,0,0,0|1,0,0]=3 948 B9R1.1 COc1ccc(cc1)F TS32969 [1,1,0,0,0,0|1,0,0]=3 949 B9R1.1 COc1ccc(cc1)I TS59516 [1,1,0,0,0,0|1,0,0]=3 950 B9R1.1 COc1ccc(cc1)N TS01634 [1,1,0,0,0,0|1,0,0]=3 951 B9R1.1 COc1ccc(cc1)N TS11193 [1,1,0,0,0,0|1,0,0]=3 952 B9R1.1 COc1ccc(cc1)N TS93025 [1,1,0,0,0,0|1,0,0]=3 953 B9R1.1 COc1ccc(cc1)O TS02083 [1,1,0,0,0,0|1,0,0]=3 954 B9R1.1 COc1ccc(cc1)S TS06486 [1,1,0,0,0,0|1,0,0]=3 955 B9R1.1 COc1ccc(cc1)[Zn+] TS74539 [1,1,0,0,0,0|1,0,0]=3 956 B9R1.1 COc1ccc(cn1)Br TS09790 [1,1,0,0,0,0|2,0,0]=4 957 B9R1.1 COc1ccc(cn1)Cl TS71503 [1,1,0,0,0,0|2,0,0]=4 958 B9R1.1 COc1ccc(cn1)F TS71544 [1,1,0,0,0,0|2,0,0]=4 959 B9R1.1 COc1ccc(cn1)I TS01075 [1,1,0,0,0,0|2,0,0]=4 960 B9R1.1 COc1ccc(cn1)N TS05017 [1,1,0,0,0,0|2,0,0]=4 961 B9R1.1 COc1ccc(cn1)O TS71568 [1,1,0,0,0,0|2,0,0]=4 962 B9R1.1 COc1ccc(nc1)Br TS08354 [1,1,0,0,0,0|2,0,0]=4 963 B9R1.1 COc1ccc(nc1)Cl TS00910 [1,1,0,0,0,0|2,0,0]=4 964 B9R1.1 COc1ccc(nc1)N TS47440 [1,1,0,0,0,0|2,0,0]=4 965 B9R1.1 COc1ccn(=O)cc1 TS71219 [1,1,0,0,0,0|2,0,0]=4 966 B9R1.1 CSc1ccc(cc1)Br TS09618 [1,1,0,0,0,0|1,0,0]=3 967 B9R1.1 CSc1ccc(cc1)Cl TS42001 [1,1,0,0,0,0|1,0,0]=3 968 B9R1.1 CSc1ccc(cc1)F TS06687 [1,1,0,0,0,0|1,0,0]=3 969 B9R1.1 CSc1ccc(cc1)I TS27986 [1,1,0,0,0,0|1,0,0]=3 970 B9R1.1 CSc1ccc(cc1)N TS06394 [1,1,0,0,0,0|1,0,0]=3 971 B9R1.1 CSc1ccc(cc1)O TS37396 [1,1,0,0,0,0|1,0,0]=3 972 B9R1.1 CSc1ccc(cc1)S TS41710 [1,1,0,0,0,0|1,0,0]=3 973 B9R1.1 CSc1ccc(cc1)[Zn+] TS76796 [1,1,0,0,0,0|1,0,0]=3 974 B9R1.1 CSc1ccc(cn1)Br TS71433 [1,1,0,0,0,0|2,0,0]=4 975 B9R1.1 CSc1ccc(nc1)N TS37399 [1,1,0,0,0,0|2,0,0]=4 976 B9R1.1 Cc1ccc(cc1)C#C TS32874 [1,1,0,0,0,0|0,0,2]=4 977 B9R1.1 Cc1ccc(cc1)C#N TS04679 [1,1,0,0,0,0|0,0,2]=4 978 B9R1.1 Cc1ccc(cc1)C=C TS71237 [1,1,0,0,0,0|0,0,2]=4 979 B9R1.1 Cc1ccc(cc1)C=O TS09079 [1,1,0,0,0,0|1,0,1]=4 980 B9R1.1 Cc1ccc(cc1)CBr TS03170 [1,1,0,0,0,0|1,0,0]=3 981 B9R1.1 Cc1ccc(cc1)CCl TS37455 [1,1,0,0,0,0|1,0,0]=3 982 B9R1.1 Cc1ccc(cc1)CN TS32473 [1,1,0,0,0,0|0,0,0]=2 983 B9R1.1 Cc1ccc(cc1)CO TS04902 [1,1,0,0,0,0|1,0,0]=3 984 B9R1.1 Cc1ccc(cc1)CS TS06300 [1,1,0,0,0,0|1,0,0]=3 985 B9R1.1 Cc1ccc(cc1)NC TS32470 [1,1,0,0,0,0|1,0,0]=3 986 B9R1.1 Cc1ccc(cc1)NN TS01655 [1,1,0,0,0,0|1,0,0]=3 987 B9R1.1 Cc1ccc(cc1)NN TS23082 [1,1,0,0,0,0|1,0,0]=3 988 B9R1.1 Cc1ccc(cc1)OC TS04894 [1,1,0,0,0,0|1,0,0]=3 989 B9R1.1 Cc1ccc(cc1)SC TS71244 [1,1,0,0,0,0|1,0,0]=3 990 B9R1.1 Cc1ccc(cc1)[Hg]Cl TS77673 [1,1,0,0,0,0|2,0,0]=4 991 B9R1.1 Cc1ccc(cc1)[Mg]Cl TS40955 [1,1,0,0,0,0|2,0,0]=4 992 B9R1.1 Cc1ccc(cn1)CN TS88042 [1,1,0,0,0,0|1,0,0]=3 993 B9R1.1 Cc1ccc(cn1)NN TS32994 [1,1,0,0,0,0|2,0,0]=4 994 B9R1.1 Cc1ccc(cn1)NN TS94799 [1,1,0,0,0,0|2,0,0]=4 995 B9R1.1 Cc1ccc(cn1)OC TS04979 [1,1,0,0,0,0|2,0,0]=4 996 B9R1.1 Cc1ccc(nc1)CN TS08057 [1,1,0,0,0,0|1,0,0]=3 997 B9R1.1 Cc1ccc(nn1)CN TS87880 [1,1,0,0,0,0|2,0,0]=4 998 B9R1.1 Cc1cnc(cn1)CN TS08244 [1,1,0,0,0,0|2,0,0]=4 999 B9R1.1 Cc1cnc(nc1)CN TS88592 [1,1,0,0,0,0|2,0,0]=4 1000 B9R1.1 Cc1ncc(cn1)CN TS86706 [1,1,0,0,0,0|2,0,0]=4 1001 B9R1.1 [C-]#[N+]c1ccc(cc1)Br TS14866 [1,1,0,0,0,0|1,0,1]=4 1002 B9R1.1 [C-]#[N+]c1ccc(cc1)Cl TS37137 [1,1,0,0,0,0|1,0,1]=4 1003 B9R1.1 [C-]#[N+]c1ccc(cc1)F TS04858 [1,1,0,0,0,0|1,0,1]=4 1004 B9R1.1 c1c(cnc(n1)CN)Br TS87860 [1,1,0,0,0,0|2,0,0]=4 1005 B9R1.1 c1c(cnc(n1)CN)Cl TS91236 [1,1,0,0,0,0|2,0,0]=4 1006 B9R1.1 c1c(cnc(n1)CN)F TS90934 [1,1,0,0,0,0|2,0,0]=4 1007 B9R1.1 c1c(cnc(n1)Cl)CN TS91652 [1,1,0,0,0,0|2,0,0]=4 1008 B9R1.1 c1cc(=O)[nH]cc1CN TS71378 [1,1,0,0,0,0|1,0,0]=3 1009 B9R1.1 c1cc(=O)[nH]cc1CO TS03336 [1,1,0,0,0,0|2,0,0]=4 1010 B9R1.1 c1cc(ccc1C#N)Br TS09595 [1,1,0,0,0,0|0,0,2]=4 1011 B9R1.1 c1cc(ccc1C#N)Cl TS33152 [1,1,0,0,0,0|0,0,2]=4 1012 B9R1.1 c1cc(ccc1C#N)F TS93132 [1,1,0,0,0,0|0,0,2]=4 1013 B9R1.1 c1cc(ccc1C#N)I TS09717 [1,1,0,0,0,0|0,0,2]=4 1014 B9R1.1 c1cc(ccc1C#N)N TS70912 [1,1,0,0,0,0|0,0,2]=4 1015 B9R1.1 c1cc(ccc1C#N)O TS03063 [1,1,0,0,0,0|0,0,2]=4 1016 B9R1.1 c1cc(ccc1C#N)S TS03071 [1,1,0,0,0,0|0,0,2]=4 1017 B9R1.1 c1cc(ccc1C#N)[Zn+] TS27647 [1,1,0,0,0,0|0,0,2]=4 1018 B9R1.1 c1cc(ccc1C=O)Br TS09589 [1,1,0,0,0,0|1,0,1]=4 1019 B9R1.1 c1cc(ccc1C=O)Cl TS37446 [1,1,0,0,0,0|1,0,1]=4 1020 B9R1.1 c1cc(ccc1C=O)Cl TS93024 [1,1,0,0,0,0|1,0,1]=4 1021 B9R1.1 c1cc(ccc1C=O)F TS03079 [1,1,0,0,0,0|1,0,1]=4 1022 B9R1.1 c1cc(ccc1C=O)I TS71194 [1,1,0,0,0,0|1,0,1]=4 1023 B9R1.1 c1cc(ccc1C=O)N TS08868 [1,1,0,0,0,0|1,0,1]=4 1024 B9R1.1 c1cc(ccc1C=O)O TS01630 [1,1,0,0,0,0|1,0,1]=4 1025 B9R1.1 c1cc(ccc1C=O)O TS42180 [1,1,0,0,0,0|1,0,1]=4 1026 B9R1.1 c1cc(ccc1CBr)Br TS09598 [1,1,0,0,0,0|1,0,0]=3 1027 B9R1.1 c1cc(ccc1CBr)Cl TS46748 [1,1,0,0,0,0|1,0,0]=3 1028 B9R1.1 c1cc(ccc1CBr)F TS03088 [1,1,0,0,0,0|1,0,0]=3 1029 B9R1.1 c1cc(ccc1CBr)I TS09718 [1,1,0,0,0,0|1,0,0]=3 1030 B9R1.1 c1cc(ccc1CBr)O TS16899 [1,1,0,0,0,0|1,0,0]=3 1031 B9R1.1 c1cc(ccc1CCl)Br TS16774 [1,1,0,0,0,0|1,0,0]=3 1032 B9R1.1 c1cc(ccc1CCl)Cl TS39591 [1,1,0,0,0,0|1,0,0]=3 1033 B9R1.1 c1cc(ccc1CCl)F TS07044 [1,1,0,0,0,0|1,0,0]=3 1034 B9R1.1 c1cc(ccc1CN)Br TS09597 [1,1,0,0,0,0|0,0,0]=2 1035 B9R1.1 c1cc(ccc1CN)Br TS60052 [1,1,0,0,0,0|0,0,0]=2 1036 B9R1.1 c1cc(ccc1CN)Cl TS33154 [1,1,0,0,0,0|0,0,0]=2 1037 B9R1.1 c1cc(ccc1CN)Cl TS71062 [1,1,0,0,0,0|0,0,0]=2 1038 B9R1.1 c1cc(ccc1CN)F TS03087 [1,1,0,0,0,0|0,0,0]=2 1039 B9R1.1 c1cc(ccc1CN)F TS42359 [1,1,0,0,0,0|0,0,0]=2 1040 B9R1.1 c1cc(ccc1CN)I TS07803 [1,1,0,0,0,0|0,0,0]=2 1041 B9R1.1 c1cc(ccc1CN)I TS73917 [1,1,0,0,0,0|0,0,0]=2 1042 B9R1.1 c1cc(ccc1CN)N TS32510 [1,1,0,0,0,0|0,0,0]=2 1043 B9R1.1 c1cc(ccc1CN)O TS38524 [1,1,0,0,0,0|0,0,0]=2 1044 B9R1.1 c1cc(ccc1CN)O TS71170 [1,1,0,0,0,0|0,0,0]=2 1045 B9R1.1 c1cc(ccc1CO)Br TS16773 [1,1,0,0,0,0|1,0,0]=3 1046 B9R1.1 c1cc(ccc1CO)Cl TS37684 [1,1,0,0,0,0|1,0,0]=3 1047 B9R1.1 c1cc(ccc1CO)F TS36109 [1,1,0,0,0,0|1,0,0]=3 1048 B9R1.1 c1cc(ccc1CO)I TS02234 [1,1,0,0,0,0|1,0,0]=3 1049 B9R1.1 c1cc(ccc1CO)N TS70914 [1,1,0,0,0,0|1,0,0]=3 1050 B9R1.1 c1cc(ccc1CO)O TS46479 [1,1,0,0,0,0|1,0,0]=3 1051 B9R1.1 c1cc(ccc1CO)S TS37388 [1,1,0,0,0,0|1,0,0]=3 1052 B9R1.1 c1cc(ccc1CS)Br TS19522 [1,1,0,0,0,0|1,0,0]=3 1053 B9R1.1 c1cc(ccc1CS)Cl TS42005 [1,1,0,0,0,0|1,0,0]=3 1054 B9R1.1 c1cc(ccc1CS)F TS06684 [1,1,0,0,0,0|1,0,0]=3 1055 B9R1.1 c1cc(ccc1C[Zn+])Br TS76764 [1,1,0,0,0,0|1,0,0]=3 1056 B9R1.1 c1cc(ccc1F)[Mg]Br TS16672 [1,1,0,0,0,0|2,0,0]=4 1057 B9R1.1 c1cc(ccc1N=O)O TS32551 [1,1,0,0,0,0|2,0,0]=4 1058 B9R1.1 c1cc(ccc1NN)Br TS50374 [1,1,0,0,0,0|1,0,0]=3 1059 B9R1.1 c1cc(ccc1NN)Cl TS06801 [1,1,0,0,0,0|1,0,0]=3 1060 B9R1.1 c1cc(ccc1NN)Cl TS67272 [1,1,0,0,0,0|1,0,0]=3 1061 B9R1.1 c1cc(ccc1NN)I TS53552 [1,1,0,0,0,0|1,0,0]=3 1062 B9R1.1 c1cc(ccc1[Mg]Br)Cl TS21953 [1,1,0,0,0,0|2,0,0]=4 1063 B9R1.1 c1cc(ccc1[Mg]Cl)Cl TS45365 [1,1,0,0,0,0|2,0,0]=4 1064 B9R1.1 c1cc(ccc1[N+]#N)Br TS30906 [1,1,0,0,0,0|1,0,1]=4 1065 B9R1.1 c1cc(ncc1Br)CO TS71442 [1,1,0,0,0,0|2,0,0]=4 1066 B9R1.1 c1cc(ncc1Br)NN TS71429 [1,1,0,0,0,0|2,0,0]=4 1067 B9R1.1 c1cc(ncc1CBr)Cl TS71318 [1,1,0,0,0,0|2,0,0]=4 1068 B9R1.1 c1cc(ncc1CBr)F TS90058 [1,1,0,0,0,0|2,0,0]=4 1069 B9R1.1 c1cc(ncc1CCl)Cl TS47256 [1,1,0,0,0,0|2,0,0]=4 1070 B9R1.1 c1cc(ncc1CCl)F TS86320 [1,1,0,0,0,0|2,0,0]=4 1071 B9R1.1 c1cc(ncc1CN)Cl TS71379 [1,1,0,0,0,0|1,0,0]=3 1072 B9R1.1 c1cc(ncc1CN)F TS87785 [1,1,0,0,0,0|1,0,0]=3 1073 B9R1.1 c1cc(ncc1CO)Br TS22929 [1,1,0,0,0,0|2,0,0]=4 1074 B9R1.1 c1cc(ncc1CO)Cl TS55248 [1,1,0,0,0,0|2,0,0]=4 1075 B9R1.1 c1cc(ncc1CO)F TS85126 [1,1,0,0,0,0|2,0,0]=4 1076 B9R1.1 c1cc(ncc1CO)N TS46564 [1,1,0,0,0,0|2,0,0]=4 1077 B9R1.1 c1cc(ncc1Cl)CCl TS87444 [1,1,0,0,0,0|2,0,0]=4 1078 B9R1.1 c1cc(ncc1F)CO TS88541 [1,1,0,0,0,0|2,0,0]=4 1079 B9R1.1 c1cc(ncc1N)CN TS32573 [1,1,0,0,0,0|1,0,0]=3 1080 B9R1.1 c1cn(=O)ccc1CO TS59701 [1,1,0,0,0,0|2,0,0]=4 1081 B9R1.2 C#Cc1cccc(c1)Br TS65960 [1,1,0,0,0,0|0,0,2]=4 1082 B9R1.2 C#Cc1cccc(c1)Cl TS02032 [1,1,0,0,0,0|0,0,2]=4 1083 B9R1.2 C#Cc1cccc(c1)F TS70602 [1,1,0,0,0,0|0,0,2]=4 1084 B9R1.2 C#Cc1cccc(c1)N TS02665 [1,1,0,0,0,0|0,0,2]=4 1085 B9R1.2 C#Cc1cccc(c1)O TS32329 [1,1,0,0,0,0|0,0,2]=4 1086 B9R1.2 C=Cc1cccc(c1)Br TS48377 [1,1,0,0,0,0|0,0,2]=4 1087 B9R1.2 C=Cc1cccc(c1)Cl TS37252 [1,1,0,0,0,0|0,0,2]=4 1088 B9R1.2 C=Cc1cccc(c1)F TS32503 [1,1,0,0,0,0|0,0,2]=4 1089 B9R1.2 C=Cc1cccc(c1)N TS04792 [1,1,0,0,0,0|0,0,2]=4 1090 B9R1.2 CC[n+]1cccc(c1)O TS38523 [1,1,0,0,0,0|1,0,0]=3 1091 B9R1.2 CCc1cc(cnc1)Br TS91617 [1,1,0,0,0,0|1,0,0]=3 1092 B9R1.2 CCc1cccc(c1)Br TS32764 [1,1,0,0,0,0|0,0,0]=2 1093 B9R1.2 CCc1cccc(c1)C TS04835 [1,1,0,0,0,0|0,0,0]=2 1094 B9R1.2 CCc1cccc(c1)N TS32463 [1,1,0,0,0,0|0,0,0]=2 1095 B9R1.2 CCc1cccc(c1)O TS04895 [1,1,0,0,0,0|0,0,0]=2 1096 B9R1.2 CCc1cccc(n1)C TS32466 [1,1,0,0,0,0|1,0,0]=3 1097 B9R1.2 CCc1cccc(n1)N TS60098 [1,1,0,0,0,0|1,0,0]=3 1098 B9R1.2 CCc1ccnc(c1)Br TS48833 [1,1,0,0,0,0|1,0,0]=3 1099 B9R1.2 CCc1ccnc(c1)C TS32469 [1,1,0,0,0,0|1,0,0]=3 1100 B9R1.2 CCc1ccnc(c1)N TS71108 [1,1,0,0,0,0|1,0,0]=3 1101 B9R1.2 CNc1cc(ccn1)Cl TS37689 [1,1,0,0,0,0|2,0,0]=4 1102 B9R1.2 CNc1cccc(c1)Br TS48829 [1,1,0,0,0,0|1,0,0]=3 1103 B9R1.2 CNc1cccc(c1)Cl TS37535 [1,1,0,0,0,0|1,0,0]=3 1104 B9R1.2 CNc1cccc(c1)F TS70598 [1,1,0,0,0,0|1,0,0]=3 1105 B9R1.2 CNc1cccc(n1)Cl TS94212 [1,1,0,0,0,0|2,0,0]=4 1106 B9R1.2 COc1cc(ccn1)Cl TS03053 [1,1,0,0,0,0|2,0,0]=4 1107 B9R1.2 COc1cc(ccn1)F TS05258 [1,1,0,0,0,0|2,0,0]=4 1108 B9R1.2 COc1cc(ccn1)I TS71184 [1,1,0,0,0,0|2,0,0]=4 1109 B9R1.2 COc1cc(ccn1)N TS02966 [1,1,0,0,0,0|2,0,0]=4 1110 B9R1.2 COc1cc(cnc1)Br TS65932 [1,1,0,0,0,0|2,0,0]=4 1111 B9R1.2 COc1cc(cnc1)Cl TS06905 [1,1,0,0,0,0|2,0,0]=4 1112 B9R1.2 COc1cc(cnc1)I TS25666 [1,1,0,0,0,0|2,0,0]=4 1113 B9R1.2 COc1cc(cnc1)N TS55470 [1,1,0,0,0,0|2,0,0]=4 1114 B9R1.2 COc1cc(cnc1)N TS89352 [1,1,0,0,0,0|2,0,0]=4 1115 B9R1.2 COc1cc(cnc1)O TS55469 [1,1,0,0,0,0|2,0,0]=4 1116 B9R1.2 COc1cc[nH]c(=O)c1 TS71209 [1,1,0,0,0,0|2,0,0]=4 1117 B9R1.2 COc1ccc[n+](c1)[O-] TS05090 [1,1,0,0,0,0|2,0,0]=4 1118 B9R1.2 COc1cccc(c1)Br TS00028 [1,1,0,0,0,0|1,0,0]=3 1119 B9R1.2 COc1cccc(c1)Cl TS37686 [1,1,0,0,0,0|1,0,0]=3 1120 B9R1.2 COc1cccc(c1)F TS70591 [1,1,0,0,0,0|1,0,0]=3 1121 B9R1.2 COc1cccc(c1)I TS39445 [1,1,0,0,0,0|1,0,0]=3 1122 B9R1.2 COc1cccc(c1)N TS02081 [1,1,0,0,0,0|1,0,0]=3 1123 B9R1.2 COc1cccc(c1)N TS11191 [1,1,0,0,0,0|1,0,0]=3 1124 B9R1.2 COc1cccc(c1)O TS39714 [1,1,0,0,0,0|1,0,0]=3 1125 B9R1.2 COc1cccc(c1)S TS70650 [1,1,0,0,0,0|1,0,0]=3 1126 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [1,1,0,0,0,0|1,0,0]=3 1127 B9R1.2 COc1cccc(n1)Br TS08366 [1,1,0,0,0,0|2,0,0]=4 1128 B9R1.2 COc1cccc(n1)Cl TS55270 [1,1,0,0,0,0|2,0,0]=4 1129 B9R1.2 COc1cccc(n1)I TS56597 [1,1,0,0,0,0|2,0,0]=4 1130 B9R1.2 COc1cccc(n1)O TS05074 [1,1,0,0,0,0|2,0,0]=4 1131 B9R1.2 COc1ccnc(c1)Br TS08328 [1,1,0,0,0,0|2,0,0]=4 1132 B9R1.2 COc1ccnc(c1)Cl TS55226 [1,1,0,0,0,0|2,0,0]=4 1133 B9R1.2 COc1ccnc(c1)N TS47406 [1,1,0,0,0,0|2,0,0]=4 1134 B9R1.2 CSc1cccc(c1)Br TS60340 [1,1,0,0,0,0|1,0,0]=3 1135 B9R1.2 CSc1cccc(c1)Cl TS42003 [1,1,0,0,0,0|1,0,0]=3 1136 B9R1.2 CSc1cccc(c1)F TS60012 [1,1,0,0,0,0|1,0,0]=3 1137 B9R1.2 CSc1cccc(c1)I TS27987 [1,1,0,0,0,0|1,0,0]=3 1138 B9R1.2 CSc1cccc(c1)N TS02674 [1,1,0,0,0,0|1,0,0]=3 1139 B9R1.2 CSc1ccnc(c1)Cl TS11198 [1,1,0,0,0,0|2,0,0]=4 1140 B9R1.2 Cc1cc(cnc1)CCl TS46377 [1,1,0,0,0,0|2,0,0]=4 1141 B9R1.2 Cc1cc(cnc1)CO TS04972 [1,1,0,0,0,0|2,0,0]=4 1142 B9R1.2 Cc1cc(cnc1)OC TS04960 [1,1,0,0,0,0|2,0,0]=4 1143 B9R1.2 Cc1cc(nnc1)CN TS92511 [1,1,0,0,0,0|2,0,0]=4 1144 B9R1.2 Cc1cccc(c1)C#C TS32229 [1,1,0,0,0,0|0,0,2]=4 1145 B9R1.2 Cc1cccc(c1)C#N TS02843 [1,1,0,0,0,0|0,0,2]=4 1146 B9R1.2 Cc1cccc(c1)C=C TS70680 [1,1,0,0,0,0|0,0,2]=4 1147 B9R1.2 Cc1cccc(c1)CBr TS00037 [1,1,0,0,0,0|1,0,0]=3 1148 B9R1.2 Cc1cccc(c1)CCl TS37460 [1,1,0,0,0,0|1,0,0]=3 1149 B9R1.2 Cc1cccc(c1)CN TS04866 [1,1,0,0,0,0|0,0,0]=2 1150 B9R1.2 Cc1cccc(c1)CO TS04903 [1,1,0,0,0,0|1,0,0]=3 1151 B9R1.2 Cc1cccc(c1)CS TS06306 [1,1,0,0,0,0|1,0,0]=3 1152 B9R1.2 Cc1cccc(c1)C[Zn+] TS38912 [1,1,0,0,0,0|1,0,0]=3 1153 B9R1.2 Cc1cccc(c1)NC TS32467 [1,1,0,0,0,0|1,0,0]=3 1154 B9R1.2 Cc1cccc(c1)NN TS04918 [1,1,0,0,0,0|1,0,0]=3 1155 B9R1.2 Cc1cccc(c1)NN TS41997 [1,1,0,0,0,0|1,0,0]=3 1156 B9R1.2 Cc1cccc(c1)OC TS32509 [1,1,0,0,0,0|1,0,0]=3 1157 B9R1.2 Cc1cccc(c1)[Mg]Br TS52067 [1,1,0,0,0,0|2,0,0]=4 1158 B9R1.2 Cc1cccc(c1)[Mg]Cl TS40952 [1,1,0,0,0,0|2,0,0]=4 1159 B9R1.2 Cc1cccc(n1)CBr TS30360 [1,1,0,0,0,0|2,0,0]=4 1160 B9R1.2 Cc1cccc(n1)CBr TS48832 [1,1,0,0,0,0|2,0,0]=4 1161 B9R1.2 Cc1cccc(n1)CCl TS46378 [1,1,0,0,0,0|2,0,0]=4 1162 B9R1.2 Cc1cccc(n1)CN TS01962 [1,1,0,0,0,0|1,0,0]=3 1163 B9R1.2 Cc1cccc(n1)CO TS04961 [1,1,0,0,0,0|2,0,0]=4 1164 B9R1.2 Cc1cccc(n1)OC TS00087 [1,1,0,0,0,0|2,0,0]=4 1165 B9R1.2 Cc1ccnc(c1)CN TS04912 [1,1,0,0,0,0|1,0,0]=3 1166 B9R1.2 Cc1ccnc(c1)OC TS04955 [1,1,0,0,0,0|2,0,0]=4 1167 B9R1.2 Cc1ccnc(n1)CN TS87070 [1,1,0,0,0,0|2,0,0]=4 1168 B9R1.2 [C-]#[N+]c1cccc(c1)Br TS14867 [1,1,0,0,0,0|1,0,1]=4 1169 B9R1.2 c1c([nH]cnc1=O)CN TS92245 [1,1,0,0,0,0|2,0,0]=4 1170 B9R1.2 c1c(cncc1Br)CCl TS26941 [1,1,0,0,0,0|2,0,0]=4 1171 B9R1.2 c1c(cncc1Br)CN TS49021 [1,1,0,0,0,0|1,0,0]=3 1172 B9R1.2 c1c(cncc1Br)CO TS16995 [1,1,0,0,0,0|2,0,0]=4 1173 B9R1.2 c1c(cncc1Cl)CCl TS91325 [1,1,0,0,0,0|2,0,0]=4 1174 B9R1.2 c1c(cncc1Cl)CO TS08050 [1,1,0,0,0,0|2,0,0]=4 1175 B9R1.2 c1c(cncc1F)CCl TS91777 [1,1,0,0,0,0|2,0,0]=4 1176 B9R1.2 c1c(cncc1F)CN TS90364 [1,1,0,0,0,0|1,0,0]=3 1177 B9R1.2 c1c(cncc1F)CO TS86069 [1,1,0,0,0,0|2,0,0]=4 1178 B9R1.2 c1c(cncc1I)CCl TS58052 [1,1,0,0,0,0|2,0,0]=4 1179 B9R1.2 c1c(cncc1I)CO TS56598 [1,1,0,0,0,0|2,0,0]=4 1180 B9R1.2 c1c(cncc1N)CO TS32612 [1,1,0,0,0,0|2,0,0]=4 1181 B9R1.2 c1c(nc(cn1)Cl)CN TS87934 [1,1,0,0,0,0|2,0,0]=4 1182 B9R1.2 c1c(ncnc1N)CN TS90583 [1,1,0,0,0,0|2,0,0]=4 1183 B9R1.2 c1c[nH]c(=O)cc1CN TS90761 [1,1,0,0,0,0|1,0,0]=3 1184 B9R1.2 c1c[nH]c(=O)cc1CO TS90976 [1,1,0,0,0,0|2,0,0]=4 1185 B9R1.2 c1cc(cc(c1)Br)C#N TS09482 [1,1,0,0,0,0|0,0,2]=4 1186 B9R1.2 c1cc(cc(c1)Br)C=O TS09477 [1,1,0,0,0,0|1,0,1]=4 1187 B9R1.2 c1cc(cc(c1)Br)CBr TS09487 [1,1,0,0,0,0|1,0,0]=3 1188 B9R1.2 c1cc(cc(c1)Br)CCl TS09488 [1,1,0,0,0,0|1,0,0]=3 1189 B9R1.2 c1cc(cc(c1)Br)CN TS09486 [1,1,0,0,0,0|0,0,0]=2 1190 B9R1.2 c1cc(cc(c1)Br)CN TS23568 [1,1,0,0,0,0|0,0,0]=2 1191 B9R1.2 c1cc(cc(c1)Br)CO TS09485 [1,1,0,0,0,0|1,0,0]=3 1192 B9R1.2 c1cc(cc(c1)Br)CS TS19525 [1,1,0,0,0,0|1,0,0]=3 1193 B9R1.2 c1cc(cc(c1)Br)NN TS65962 [1,1,0,0,0,0|1,0,0]=3 1194 B9R1.2 c1cc(cc(c1)Cl)C#N TS00143 [1,1,0,0,0,0|0,0,2]=4 1195 B9R1.2 c1cc(cc(c1)Cl)C=O TS00142 [1,1,0,0,0,0|1,0,1]=4 1196 B9R1.2 c1cc(cc(c1)Cl)CBr TS02030 [1,1,0,0,0,0|1,0,0]=3 1197 B9R1.2 c1cc(cc(c1)Cl)CCl TS01788 [1,1,0,0,0,0|1,0,0]=3 1198 B9R1.2 c1cc(cc(c1)Cl)CN TS02029 [1,1,0,0,0,0|0,0,0]=2 1199 B9R1.2 c1cc(cc(c1)Cl)CO TS02715 [1,1,0,0,0,0|1,0,0]=3 1200 B9R1.2 c1cc(cc(c1)Cl)[Mg]Br TS21954 [1,1,0,0,0,0|2,0,0]=4 1201 B9R1.2 c1cc(cc(c1)F)C#N TS70592 [1,1,0,0,0,0|0,0,2]=4 1202 B9R1.2 c1cc(cc(c1)F)C=O TS16744 [1,1,0,0,0,0|1,0,1]=4 1203 B9R1.2 c1cc(cc(c1)F)CBr TS70593 [1,1,0,0,0,0|1,0,0]=3 1204 B9R1.2 c1cc(cc(c1)F)CCl TS70594 [1,1,0,0,0,0|1,0,0]=3 1205 B9R1.2 c1cc(cc(c1)F)CN TS39435 [1,1,0,0,0,0|0,0,0]=2 1206 B9R1.2 c1cc(cc(c1)F)CO TS39434 [1,1,0,0,0,0|1,0,0]=3 1207 B9R1.2 c1cc(cc(c1)F)CS TS06688 [1,1,0,0,0,0|1,0,0]=3 1208 B9R1.2 c1cc(cc(c1)I)C#N TS70628 [1,1,0,0,0,0|0,0,2]=4 1209 B9R1.2 c1cc(cc(c1)I)C=O TS53246 [1,1,0,0,0,0|1,0,1]=4 1210 B9R1.2 c1cc(cc(c1)I)CBr TS70629 [1,1,0,0,0,0|1,0,0]=3 1211 B9R1.2 c1cc(cc(c1)I)CN TS53419 [1,1,0,0,0,0|0,0,0]=2 1212 B9R1.2 c1cc(cc(c1)I)CN TS73918 [1,1,0,0,0,0|0,0,0]=2 1213 B9R1.2 c1cc(cc(c1)I)CO TS53549 [1,1,0,0,0,0|1,0,0]=3 1214 B9R1.2 c1cc(cc(c1)N)C#N TS65877 [1,1,0,0,0,0|0,0,2]=4 1215 B9R1.2 c1cc(cc(c1)N)C=O TS04864 [1,1,0,0,0,0|1,0,1]=4 1216 B9R1.2 c1cc(cc(c1)N)C=O TS10917 [1,1,0,0,0,0|1,0,1]=4 1217 B9R1.2 c1cc(cc(c1)N)CN TS32516 [1,1,0,0,0,0|0,0,0]=2 1218 B9R1.2 c1cc(cc(c1)N)CO TS59603 [1,1,0,0,0,0|1,0,0]=3 1219 B9R1.2 c1cc(cc(c1)O)C#N TS02727 [1,1,0,0,0,0|0,0,2]=4 1220 B9R1.2 c1cc(cc(c1)O)C=O TS70619 [1,1,0,0,0,0|1,0,1]=4 1221 B9R1.2 c1cc(cc(c1)O)CBr TS49013 [1,1,0,0,0,0|1,0,0]=3 1222 B9R1.2 c1cc(cc(c1)O)CCl TS37687 [1,1,0,0,0,0|1,0,0]=3 1223 B9R1.2 c1cc(cc(c1)O)CO TS32602 [1,1,0,0,0,0|1,0,0]=3 1224 B9R1.2 c1cc(cc(c1)[Mg]Br)F TS37776 [1,1,0,0,0,0|2,0,0]=4 1225 B9R1.2 c1cc(cc(c1)[Zn+])C#N TS35725 [1,1,0,0,0,0|0,0,2]=4 1226 B9R1.2 c1cc(cn(=O)c1)CO TS05088 [1,1,0,0,0,0|2,0,0]=4 1227 B9R1.2 c1cc(nc(c1)Br)CBr TS28129 [1,1,0,0,0,0|2,0,0]=4 1228 B9R1.2 c1cc(nc(c1)Br)CN TS49016 [1,1,0,0,0,0|1,0,0]=3 1229 B9R1.2 c1cc(nc(c1)Br)CO TS55136 [1,1,0,0,0,0|2,0,0]=4 1230 B9R1.2 c1cc(nc(c1)Br)NN TS50645 [1,1,0,0,0,0|2,0,0]=4 1231 B9R1.2 c1cc(nc(c1)Cl)CBr TS39094 [1,1,0,0,0,0|2,0,0]=4 1232 B9R1.2 c1cc(nc(c1)Cl)CO TS46565 [1,1,0,0,0,0|2,0,0]=4 1233 B9R1.2 c1cc(nc(c1)Cl)CO TS55567 [1,1,0,0,0,0|2,0,0]=4 1234 B9R1.2 c1cc(nc(c1)Cl)NN TS55261 [1,1,0,0,0,0|2,0,0]=4 1235 B9R1.2 c1cc(nc(c1)I)CO TS25668 [1,1,0,0,0,0|2,0,0]=4 1236 B9R1.2 c1cnc(cc1Br)CN TS39553 [1,1,0,0,0,0|1,0,0]=3 1237 B9R1.2 c1cnc(cc1Br)CN TS87352 [1,1,0,0,0,0|1,0,0]=3 1238 B9R1.2 c1cnc(cc1Br)CO TS08030 [1,1,0,0,0,0|2,0,0]=4 1239 B9R1.2 c1cnc(cc1CCl)N TS37692 [1,1,0,0,0,0|2,0,0]=4 1240 B9R1.2 c1cnc(cc1CN)Cl TS06803 [1,1,0,0,0,0|1,0,0]=3 1241 B9R1.2 c1cnc(cc1CN)N TS03001 [1,1,0,0,0,0|1,0,0]=3 1242 B9R1.2 c1cnc(cc1CO)Br TS00864 [1,1,0,0,0,0|2,0,0]=4 1243 B9R1.2 c1cnc(cc1CO)Cl TS46504 [1,1,0,0,0,0|2,0,0]=4 1244 B9R1.2 c1cnc(cc1CO)F TS36210 [1,1,0,0,0,0|2,0,0]=4 1245 B9R1.2 c1cnc(cc1CO)N TS00819 [1,1,0,0,0,0|2,0,0]=4 1246 B9R1.2 c1cnc(cc1Cl)CN TS37691 [1,1,0,0,0,0|1,0,0]=3 1247 B9R1.2 c1cnc(cc1Cl)CN TS44724 [1,1,0,0,0,0|1,0,0]=3 1248 B9R1.2 c1cnc(cc1Cl)CO TS08035 [1,1,0,0,0,0|2,0,0]=4 1249 B9R1.2 c1cnc(cc1Cl)NN TS94440 [1,1,0,0,0,0|2,0,0]=4 1250 B9R1.2 c1cnc(cc1NN)Cl TS55218 [1,1,0,0,0,0|2,0,0]=4 1251 B9R1.2 c1cnc(nc1CN)O TS88742 [1,1,0,0,0,0|2,0,0]=4 1252 B9R1.6 B(c1ccccc1)(Cl)Cl TS42008 [1,1,0,0,0,0|2,0,0]=4 1253 B9R1.6 B(c1ccccc1)(O)O TS59339 [1,1,0,0,0,0|2,0,0]=4 1254 B9R1.6 C=C(c1ccccc1)Br TS48375 [1,1,0,0,0,0|0,0,2]=4 1255 B9R1.6 C=C(c1ccccc1)[Zn+] TS08929 [1,1,0,0,0,0|0,0,2]=4 1256 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,1,0,0,0,0|0,0,1]=3 1257 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,1,0,0,0,0|0,0,1]=3 1258 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,1,0,0,0,0|0,0,1]=3 1259 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,1,0,0,0,0|0,0,1]=3 1260 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,1,0,0,0,0|0,0,1]=3 1261 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,1,0,0,0,0|1,0,1]=4 1262 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,1,0,0,0,0|1,0,1]=4 1263 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,1,0,0,0,0|1,0,1]=4 1264 B9R1.6 CC(C)c1ccccn1 TS32479 [1,1,0,0,0,0|1,0,0]=3 1265 B9R1.6 CC(C)c1ccccn1 TS49188 [1,1,0,0,0,0|1,0,0]=3 1266 B9R1.6 CC(C)c1ccncc1 TS09132 [1,1,0,0,0,0|1,0,0]=3 1267 B9R1.6 CC(C)c1cnccn1 TS04911 [1,1,0,0,0,0|2,0,0]=4 1268 B9R1.6 CC(c1ccccc1)Cl TS37453 [1,1,0,0,0,0|0,0,0]=2 1269 B9R1.6 CC(c1ccccc1)N TS55879 [1,1,0,0,0,0|0,0,0]=2 1270 B9R1.6 CC(c1ccccc1)O TS04908 [1,1,0,0,0,0|0,0,0]=2 1271 B9R1.6 CC(c1ccccn1)N TS47025 [1,1,0,0,0,0|1,0,0]=3 1272 B9R1.6 CC(c1ccccn1)N TS59503 [1,1,0,0,0,0|1,0,0]=3 1273 B9R1.6 CC(c1ccccn1)O TS08930 [1,1,0,0,0,0|1,0,0]=3 1274 B9R1.6 CC(c1cccnc1)N TS59573 [1,1,0,0,0,0|1,0,0]=3 1275 B9R1.6 CC(c1ccncc1)N TS51965 [1,1,0,0,0,0|1,0,0]=3 1276 B9R1.6 CC(c1ccncc1)N TS59574 [1,1,0,0,0,0|1,0,0]=3 1277 B9R1.6 CC(c1ccncn1)N TS91641 [1,1,0,0,0,0|2,0,0]=4 1278 B9R1.6 CC(c1ccnnc1)N TS88664 [1,1,0,0,0,0|2,0,0]=4 1279 B9R1.6 CC(c1cnccn1)N TS86731 [1,1,0,0,0,0|2,0,0]=4 1280 B9R1.6 CC(c1cncnc1)N TS88597 [1,1,0,0,0,0|2,0,0]=4 1281 B9R1.6 CN(C)c1cc[nH+]cc1 TS29274 [1,1,0,0,0,0|2,0,0]=4 1282 B9R1.6 CN(C)c1ccccc1 TS56353 [1,1,0,0,0,0|1,0,0]=3 1283 B9R1.6 CN(C)c1ccccn1 TS04916 [1,1,0,0,0,0|2,0,0]=4 1284 B9R1.6 CN(C)c1cccnc1 TS32521 [1,1,0,0,0,0|2,0,0]=4 1285 B9R1.6 CN(C)c1ccncc1 TS71094 [1,1,0,0,0,0|2,0,0]=4 1286 B9R1.6 CN(C)c1ccncc1 TS79663 [1,1,0,0,0,0|2,0,0]=4 1287 B9R1.6 CN(C)c1ccncc1 TS93097 [1,1,0,0,0,0|2,0,0]=4 1288 B9R1.6 CN(c1ccccc1)N TS46980 [1,1,0,0,0,0|1,0,0]=3 1289 B9R1.6 CP(C)c1ccccc1 TS37178 [1,1,0,0,0,0|1,0,0]=3 1290 B9R1.6 CP(C)c1ccccc1 TS75399 [1,1,0,0,0,0|1,0,0]=3 1291 B9R1.6 C[C@@H](c1ccccc1)N TS93610 [1,1,0,0,0,0|0,0,0]=2 1292 B9R1.6 C[C@@H](c1ccccc1)O TS04904 [1,1,0,0,0,0|0,0,0]=2 1293 B9R1.6 C[C@@H](c1ccccn1)O TS04971 [1,1,0,0,0,0|1,0,0]=3 1294 B9R1.6 C[C@@H](c1cccnc1)O TS04970 [1,1,0,0,0,0|1,0,0]=3 1295 B9R1.6 C[C@@H](c1ccncc1)O TS32559 [1,1,0,0,0,0|1,0,0]=3 1296 B9R1.6 C[C@@H](c1cncnc1)N TS86849 [1,1,0,0,0,0|2,0,0]=4 1297 B9R1.6 C[C@H](c1ccccc1)N TS00310 [1,1,0,0,0,0|0,0,0]=2 1298 B9R1.6 C[C@H](c1ccccc1)N TS29339 [1,1,0,0,0,0|0,0,0]=2 1299 B9R1.6 C[C@H](c1ccccc1)O TS04906 [1,1,0,0,0,0|0,0,0]=2 1300 B9R1.6 C[C@H](c1ccccn1)O TS04976 [1,1,0,0,0,0|1,0,0]=3 1301 B9R1.6 C[C@H](c1cccnc1)O TS04956 [1,1,0,0,0,0|1,0,0]=3 1302 B9R1.6 C[C@H](c1ccncc1)O TS39982 [1,1,0,0,0,0|1,0,0]=3 1303 B9R1.6 C[C@H](c1cncnc1)N TS90168 [1,1,0,0,0,0|2,0,0]=4 1304 B9R1.6 C[SiH](C)c1ccccc1 TS37063 [1,1,0,0,0,0|0,1,0]=3 1305 B9R1.6 c1c[nH+]ccc1C(=N)N TS02953 [1,1,0,0,0,0|1,0,1]=4 1306 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [1,1,0,0,0,0|1,0,1]=4 1307 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [1,1,0,0,0,0|1,0,1]=4 1308 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [1,1,0,0,0,0|1,0,1]=4 1309 B9R1.6 c1cc(cnc1)C(=S)N TS00280 [1,1,0,0,0,0|1,0,1]=4 1310 B9R1.6 c1ccc(cc1)C(=N)N TS04816 [1,1,0,0,0,0|0,0,1]=3 1311 B9R1.6 c1ccc(cc1)C(=N)N TS13608 [1,1,0,0,0,0|0,0,1]=3 1312 B9R1.6 c1ccc(cc1)C(=N)N TS55741 [1,1,0,0,0,0|0,0,1]=3 1313 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,1,0,0,0,0|1,0,1]=4 1314 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,1,0,0,0,0|1,0,1]=4 1315 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,1,0,0,0,0|1,0,1]=4 1316 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,1,0,0,0,0|0,0,1]=3 1317 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,1,0,0,0,0|1,0,1]=4 1318 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,1,0,0,0,0|1,0,1]=4 1319 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,1,0,0,0,0|1,0,1]=4 1320 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,1,0,0,0,0|1,0,1]=4 1321 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,1,0,0,0,0|1,0,1]=4 1322 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,1,0,0,0,0|1,0,1]=4 1323 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,1,0,0,0,0|1,0,1]=4 1324 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,1,0,0,0,0|1,0,1]=4 1325 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,1,0,0,0,0|1,0,1]=4 1326 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,1,0,0,0,0|1,0,1]=4 1327 B9R1.6 c1ccc(cc1)C(=S)N TS01727 [1,1,0,0,0,0|0,0,1]=3 1328 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,1,0,0,0,0|1,0,1]=4 1329 B9R1.6 c1ccc(cc1)C(Br)Br TS27976 [1,1,0,0,0,0|1,0,0]=3 1330 B9R1.6 c1ccc(cc1)C(F)Cl TS40273 [1,1,0,0,0,0|1,0,0]=3 1331 B9R1.6 c1ccc(cc1)I(=O)=O TS25817 [1,1,0,0,0,0|2,0,0]=4 1332 B9R1.6 c1ccc(cc1)I(Cl)Cl TS07874 [1,1,0,0,0,0|2,0,0]=4 1333 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,1,0,0,0,0|2,0,0]=4 1334 B9R1.6 c1ccc(cc1)P(=O)[O-] TS42670 [1,1,0,0,0,0|2,0,0]=4 1335 B9R1.6 c1ccc(cc1)P(Cl)Cl TS14332 [1,1,0,0,0,0|2,0,0]=4 1336 B9R1.6 c1ccc(cc1)S(=O)[O-] TS11824 [1,1,0,0,0,0|2,0,0]=4 1337 B9R1.6 c1ccc(cc1)S(=O)[O-] TS37866 [1,1,0,0,0,0|2,0,0]=4 1338 B9R1.6 c1ccc(cc1)S(=O)[O-] TS78880 [1,1,0,0,0,0|2,0,0]=4 1339 B9R1.6 c1ccc(cc1)[N+](=O)[O-] TS32550 [1,1,0,0,0,0|2,0,0]=4 1340 B9R1.6 c1ccc(cc1)[SiH](Cl)Cl TS46224 [1,1,0,0,0,0|1,1,0]=4 1341 B9R1.6 c1ccnc(c1)C(=N)N TS10924 [1,1,0,0,0,0|1,0,1]=4 1342 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,1,0,0,0,0|1,0,1]=4 1343 B9R1.6 c1ccnc(c1)C(=S)N TS06297 [1,1,0,0,0,0|1,0,1]=4 1344 B9R1.6 c1cnccc1C(=N)N TS01862 [1,1,0,0,0,0|1,0,1]=4 1345 B9R1.6 c1cnccc1C(=O)N TS74511 [1,1,0,0,0,0|1,0,1]=4 1346 B9R1.6 c1cnccc1C(=S)N TS06294 [1,1,0,0,0,0|1,0,1]=4 1347 B9R1.15 C#Cc1ccccc1Br TS48023 [1,1,0,0,0,0|0,0,2]=4 1348 B9R1.15 C#Cc1ccccc1Cl TS55288 [1,1,0,0,0,0|0,0,2]=4 1349 B9R1.15 C#Cc1ccccc1F TS77181 [1,1,0,0,0,0|0,0,2]=4 1350 B9R1.15 C#Cc1ccccc1O TS55318 [1,1,0,0,0,0|0,0,2]=4 1351 B9R1.15 C=Cc1ccccc1Br TS55173 [1,1,0,0,0,0|0,0,2]=4 1352 B9R1.15 C=Cc1ccccc1Cl TS00968 [1,1,0,0,0,0|0,0,2]=4 1353 B9R1.15 C=Cc1ccccc1F TS32504 [1,1,0,0,0,0|0,0,2]=4 1354 B9R1.15 C=Cc1ccccc1I TS24807 [1,1,0,0,0,0|0,0,2]=4 1355 B9R1.15 CC[n+]1ccccc1Br TS33546 [1,1,0,0,0,0|1,0,0]=3 1356 B9R1.15 CCc1c(cncn1)F TS71104 [1,1,0,0,0,0|2,0,0]=4 1357 B9R1.15 CCc1c(nccn1)C TS04922 [1,1,0,0,0,0|2,0,0]=4 1358 B9R1.15 CCc1cccc[n+]1[O-] TS32558 [1,1,0,0,0,0|1,0,0]=3 1359 B9R1.15 CCc1ccccc1Br TS15420 [1,1,0,0,0,0|0,0,0]=2 1360 B9R1.15 CCc1ccccc1C TS16337 [1,1,0,0,0,0|0,0,0]=2 1361 B9R1.15 CCc1ccccc1Cl TS37450 [1,1,0,0,0,0|0,0,0]=2 1362 B9R1.15 CCc1ccccc1I TS25157 [1,1,0,0,0,0|0,0,0]=2 1363 B9R1.15 CCc1ccccc1N TS32474 [1,1,0,0,0,0|0,0,0]=2 1364 B9R1.15 CCc1ccccc1O TS04900 [1,1,0,0,0,0|0,0,0]=2 1365 B9R1.15 CCc1ccccc1S TS06304 [1,1,0,0,0,0|0,0,0]=2 1366 B9R1.15 CCc1cccnc1C TS32475 [1,1,0,0,0,0|1,0,0]=3 1367 B9R1.15 CCc1ccncc1C TS32464 [1,1,0,0,0,0|1,0,0]=3 1368 B9R1.15 CCc1cnccc1Br TS92322 [1,1,0,0,0,0|1,0,0]=3 1369 B9R1.15 CCc1cnccc1C TS32480 [1,1,0,0,0,0|1,0,0]=3 1370 B9R1.15 CCc1cncnc1Cl TS71037 [1,1,0,0,0,0|2,0,0]=4 1371 B9R1.15 CCc1cncnc1O TS05018 [1,1,0,0,0,0|2,0,0]=4 1372 B9R1.15 CNc1c(cccn1)Br TS49024 [1,1,0,0,0,0|2,0,0]=4 1373 B9R1.15 CNc1c(cccn1)Cl TS44725 [1,1,0,0,0,0|2,0,0]=4 1374 B9R1.15 CNc1ccccc1Cl TS37531 [1,1,0,0,0,0|1,0,0]=3 1375 B9R1.15 CNc1ccccc1F TS56413 [1,1,0,0,0,0|1,0,0]=3 1376 B9R1.15 CNc1ccccc1N TS01587 [1,1,0,0,0,0|1,0,0]=3 1377 B9R1.15 CNc1ccccc1N TS41998 [1,1,0,0,0,0|1,0,0]=3 1378 B9R1.15 CNc1ccccc1N TS60152 [1,1,0,0,0,0|1,0,0]=3 1379 B9R1.15 CNc1ccccc1O TS04968 [1,1,0,0,0,0|1,0,0]=3 1380 B9R1.15 CNc1cccnc1Br TS49018 [1,1,0,0,0,0|2,0,0]=4 1381 B9R1.15 CNc1cccnc1Cl TS06799 [1,1,0,0,0,0|2,0,0]=4 1382 B9R1.15 CNc1cccnc1Cl TS46508 [1,1,0,0,0,0|2,0,0]=4 1383 B9R1.15 CNc1ccncc1N TS32563 [1,1,0,0,0,0|2,0,0]=4 1384 B9R1.15 COc1c(cccn1)Br TS65905 [1,1,0,0,0,0|2,0,0]=4 1385 B9R1.15 COc1c(cccn1)Cl TS65976 [1,1,0,0,0,0|2,0,0]=4 1386 B9R1.15 COc1c(cccn1)F TS36212 [1,1,0,0,0,0|2,0,0]=4 1387 B9R1.15 COc1c(cccn1)I TS02808 [1,1,0,0,0,0|2,0,0]=4 1388 B9R1.15 COc1c(cccn1)N TS02635 [1,1,0,0,0,0|2,0,0]=4 1389 B9R1.15 COc1ccccc1Br TS00023 [1,1,0,0,0,0|1,0,0]=3 1390 B9R1.15 COc1ccccc1Cl TS37688 [1,1,0,0,0,0|1,0,0]=3 1391 B9R1.15 COc1ccccc1F TS60288 [1,1,0,0,0,0|1,0,0]=3 1392 B9R1.15 COc1ccccc1I TS09308 [1,1,0,0,0,0|1,0,0]=3 1393 B9R1.15 COc1ccccc1N TS29238 [1,1,0,0,0,0|1,0,0]=3 1394 B9R1.15 COc1ccccc1N TS59329 [1,1,0,0,0,0|1,0,0]=3 1395 B9R1.15 COc1ccccc1P TS06425 [1,1,0,0,0,0|1,0,0]=3 1396 B9R1.15 COc1ccccc1S TS37393 [1,1,0,0,0,0|1,0,0]=3 1397 B9R1.15 COc1ccccc1[Zn+] TS74540 [1,1,0,0,0,0|1,0,0]=3 1398 B9R1.15 COc1cccnc1Br TS08305 [1,1,0,0,0,0|2,0,0]=4 1399 B9R1.15 COc1cccnc1Cl TS55198 [1,1,0,0,0,0|2,0,0]=4 1400 B9R1.15 COc1cccnc1I TS25665 [1,1,0,0,0,0|2,0,0]=4 1401 B9R1.15 COc1cccnc1N TS47373 [1,1,0,0,0,0|2,0,0]=4 1402 B9R1.15 COc1cccnc1O TS55383 [1,1,0,0,0,0|2,0,0]=4 1403 B9R1.15 COc1ccncc1Br TS09454 [1,1,0,0,0,0|2,0,0]=4 1404 B9R1.15 COc1ccncc1I TS02810 [1,1,0,0,0,0|2,0,0]=4 1405 B9R1.15 COc1ccncc1N TS65861 [1,1,0,0,0,0|2,0,0]=4 1406 B9R1.15 CSc1ccccc1Br TS19526 [1,1,0,0,0,0|1,0,0]=3 1407 B9R1.15 CSc1ccccc1Cl TS42002 [1,1,0,0,0,0|1,0,0]=3 1408 B9R1.15 CSc1ccccc1F TS06689 [1,1,0,0,0,0|1,0,0]=3 1409 B9R1.15 CSc1ccccc1I TS27990 [1,1,0,0,0,0|1,0,0]=3 1410 B9R1.15 CSc1ccccc1O TS37395 [1,1,0,0,0,0|1,0,0]=3 1411 B9R1.15 CSc1ccccc1[Zn+] TS76795 [1,1,0,0,0,0|1,0,0]=3 1412 B9R1.15 Cc1c(cccn1)CBr TS87803 [1,1,0,0,0,0|2,0,0]=4 1413 B9R1.15 Cc1c(cccn1)CCl TS90028 [1,1,0,0,0,0|2,0,0]=4 1414 B9R1.15 Cc1c(cccn1)CN TS32520 [1,1,0,0,0,0|1,0,0]=3 1415 B9R1.15 Cc1c(cccn1)CO TS04969 [1,1,0,0,0,0|2,0,0]=4 1416 B9R1.15 Cc1c(cccn1)OC TS04964 [1,1,0,0,0,0|2,0,0]=4 1417 B9R1.15 Cc1c(nccn1)CN TS92714 [1,1,0,0,0,0|2,0,0]=4 1418 B9R1.15 Cc1ccccc1C#C TS02442 [1,1,0,0,0,0|0,0,2]=4 1419 B9R1.15 Cc1ccccc1C#N TS04680 [1,1,0,0,0,0|0,0,2]=4 1420 B9R1.15 Cc1ccccc1C=C TS02453 [1,1,0,0,0,0|0,0,2]=4 1421 B9R1.15 Cc1ccccc1C=O TS04808 [1,1,0,0,0,0|1,0,1]=4 1422 B9R1.15 Cc1ccccc1CBr TS01133 [1,1,0,0,0,0|1,0,0]=3 1423 B9R1.15 Cc1ccccc1CCl TS37456 [1,1,0,0,0,0|1,0,0]=3 1424 B9R1.15 Cc1ccccc1CN TS04867 [1,1,0,0,0,0|0,0,0]=2 1425 B9R1.15 Cc1ccccc1CO TS04907 [1,1,0,0,0,0|1,0,0]=3 1426 B9R1.15 Cc1ccccc1CS TS06308 [1,1,0,0,0,0|1,0,0]=3 1427 B9R1.15 Cc1ccccc1NC TS32471 [1,1,0,0,0,0|1,0,0]=3 1428 B9R1.15 Cc1ccccc1NN TS60156 [1,1,0,0,0,0|1,0,0]=3 1429 B9R1.15 Cc1ccccc1OC TS32508 [1,1,0,0,0,0|1,0,0]=3 1430 B9R1.15 Cc1ccccc1[Mg]Br TS52065 [1,1,0,0,0,0|2,0,0]=4 1431 B9R1.15 Cc1ccccc1[Mg]Cl TS40954 [1,1,0,0,0,0|2,0,0]=4 1432 B9R1.15 Cc1cccnc1CCl TS91176 [1,1,0,0,0,0|2,0,0]=4 1433 B9R1.15 Cc1cccnc1CN TS32513 [1,1,0,0,0,0|1,0,0]=3 1434 B9R1.15 Cc1cccnc1CO TS04977 [1,1,0,0,0,0|2,0,0]=4 1435 B9R1.15 Cc1cccnc1OC TS04965 [1,1,0,0,0,0|2,0,0]=4 1436 B9R1.15 Cc1ccncc1CCl TS88594 [1,1,0,0,0,0|2,0,0]=4 1437 B9R1.15 Cc1ccncc1CN TS04915 [1,1,0,0,0,0|1,0,0]=3 1438 B9R1.15 Cc1ccncc1CO TS04980 [1,1,0,0,0,0|2,0,0]=4 1439 B9R1.15 Cc1ccncc1NC TS04920 [1,1,0,0,0,0|2,0,0]=4 1440 B9R1.15 Cc1ccnnc1CN TS92264 [1,1,0,0,0,0|2,0,0]=4 1441 B9R1.15 Cc1cnccc1CCl TS89010 [1,1,0,0,0,0|2,0,0]=4 1442 B9R1.15 Cc1cnccc1CN TS32519 [1,1,0,0,0,0|1,0,0]=3 1443 B9R1.15 Cc1cnccc1CO TS91100 [1,1,0,0,0,0|2,0,0]=4 1444 B9R1.15 Cc1cnncc1CN TS92054 [1,1,0,0,0,0|2,0,0]=4 1445 B9R1.15 [C-]#[N+]c1ccccc1Br TS14868 [1,1,0,0,0,0|1,0,1]=4 1446 B9R1.15 [C-]#[N+]c1ccccc1Cl TS37133 [1,1,0,0,0,0|1,0,1]=4 1447 B9R1.15 c1cc(c(nc1)Br)CBr TS55083 [1,1,0,0,0,0|2,0,0]=4 1448 B9R1.15 c1cc(c(nc1)CBr)F TS85731 [1,1,0,0,0,0|2,0,0]=4 1449 B9R1.15 c1cc(c(nc1)CBr)O TS08820 [1,1,0,0,0,0|2,0,0]=4 1450 B9R1.15 c1cc(c(nc1)CCl)F TS86737 [1,1,0,0,0,0|2,0,0]=4 1451 B9R1.15 c1cc(c(nc1)CN)F TS86282 [1,1,0,0,0,0|1,0,0]=3 1452 B9R1.15 c1cc(c(nc1)CO)F TS88540 [1,1,0,0,0,0|2,0,0]=4 1453 B9R1.15 c1cc(c(nc1)CO)N TS05011 [1,1,0,0,0,0|2,0,0]=4 1454 B9R1.15 c1cc(c(nc1)CO)O TS55400 [1,1,0,0,0,0|2,0,0]=4 1455 B9R1.15 c1cc(c(nc1)CO)O TS70604 [1,1,0,0,0,0|2,0,0]=4 1456 B9R1.15 c1cc(c(nc1)Cl)CCl TS86687 [1,1,0,0,0,0|2,0,0]=4 1457 B9R1.15 c1cc(c(nc1)Cl)CO TS55211 [1,1,0,0,0,0|2,0,0]=4 1458 B9R1.15 c1cc(c(nc1)F)CN TS08409 [1,1,0,0,0,0|1,0,0]=3 1459 B9R1.15 c1cc(c(nc1)F)CO TS55320 [1,1,0,0,0,0|2,0,0]=4 1460 B9R1.15 c1cc(c(nc1)N)CCl TS08290 [1,1,0,0,0,0|2,0,0]=4 1461 B9R1.15 c1cc(c(nc1)N)CO TS47364 [1,1,0,0,0,0|2,0,0]=4 1462 B9R1.15 c1cc(c(nc1)NN)Cl TS60341 [1,1,0,0,0,0|2,0,0]=4 1463 B9R1.15 c1cc(c(nc1)O)CN TS42244 [1,1,0,0,0,0|1,0,0]=3 1464 B9R1.15 c1ccc(c(c1)C#N)Br TS08819 [1,1,0,0,0,0|0,0,2]=4 1465 B9R1.15 c1ccc(c(c1)C#N)Cl TS37134 [1,1,0,0,0,0|0,0,2]=4 1466 B9R1.15 c1ccc(c(c1)C#N)F TS01022 [1,1,0,0,0,0|0,0,2]=4 1467 B9R1.15 c1ccc(c(c1)C#N)I TS60301 [1,1,0,0,0,0|0,0,2]=4 1468 B9R1.15 c1ccc(c(c1)C#N)N TS47464 [1,1,0,0,0,0|0,0,2]=4 1469 B9R1.15 c1ccc(c(c1)C#N)O TS09306 [1,1,0,0,0,0|0,0,2]=4 1470 B9R1.15 c1ccc(c(c1)C#N)[Zn+] TS27646 [1,1,0,0,0,0|0,0,2]=4 1471 B9R1.15 c1ccc(c(c1)C=O)Br TS55151 [1,1,0,0,0,0|1,0,1]=4 1472 B9R1.15 c1ccc(c(c1)C=O)Cl TS00949 [1,1,0,0,0,0|1,0,1]=4 1473 B9R1.15 c1ccc(c(c1)C=O)F TS01019 [1,1,0,0,0,0|1,0,1]=4 1474 B9R1.15 c1ccc(c(c1)C=O)I TS02011 [1,1,0,0,0,0|1,0,1]=4 1475 B9R1.15 c1ccc(c(c1)C=O)N TS10911 [1,1,0,0,0,0|1,0,1]=4 1476 B9R1.15 c1ccc(c(c1)C=O)N TS47463 [1,1,0,0,0,0|1,0,1]=4 1477 B9R1.15 c1ccc(c(c1)C=O)O TS32489 [1,1,0,0,0,0|1,0,1]=4 1478 B9R1.15 c1ccc(c(c1)CBr)Br TS55159 [1,1,0,0,0,0|1,0,0]=3 1479 B9R1.15 c1ccc(c(c1)CBr)Cl TS20044 [1,1,0,0,0,0|1,0,0]=3 1480 B9R1.15 c1ccc(c(c1)CBr)F TS01023 [1,1,0,0,0,0|1,0,0]=3 1481 B9R1.15 c1ccc(c(c1)CBr)I TS01081 [1,1,0,0,0,0|1,0,0]=3 1482 B9R1.15 c1ccc(c(c1)CBr)O TS49014 [1,1,0,0,0,0|1,0,0]=3 1483 B9R1.15 c1ccc(c(c1)CCl)Br TS20043 [1,1,0,0,0,0|1,0,0]=3 1484 B9R1.15 c1ccc(c(c1)CCl)Cl TS11356 [1,1,0,0,0,0|1,0,0]=3 1485 B9R1.15 c1ccc(c(c1)CCl)F TS55731 [1,1,0,0,0,0|1,0,0]=3 1486 B9R1.15 c1ccc(c(c1)CN)Br TS23567 [1,1,0,0,0,0|0,0,0]=2 1487 B9R1.15 c1ccc(c(c1)CN)Br TS55158 [1,1,0,0,0,0|0,0,0]=2 1488 B9R1.15 c1ccc(c(c1)CN)Cl TS37533 [1,1,0,0,0,0|0,0,0]=2 1489 B9R1.15 c1ccc(c(c1)CN)F TS65429 [1,1,0,0,0,0|0,0,0]=2 1490 B9R1.15 c1ccc(c(c1)CN)I TS53416 [1,1,0,0,0,0|0,0,0]=2 1491 B9R1.15 c1ccc(c(c1)CN)N TS39642 [1,1,0,0,0,0|0,0,0]=2 1492 B9R1.15 c1ccc(c(c1)CN)O TS04954 [1,1,0,0,0,0|0,0,0]=2 1493 B9R1.15 c1ccc(c(c1)CO)Br TS55157 [1,1,0,0,0,0|1,0,0]=3 1494 B9R1.15 c1ccc(c(c1)CO)Cl TS37683 [1,1,0,0,0,0|1,0,0]=3 1495 B9R1.15 c1ccc(c(c1)CO)F TS36110 [1,1,0,0,0,0|1,0,0]=3 1496 B9R1.15 c1ccc(c(c1)CO)I TS01080 [1,1,0,0,0,0|1,0,0]=3 1497 B9R1.15 c1ccc(c(c1)CO)N TS47468 [1,1,0,0,0,0|1,0,0]=3 1498 B9R1.15 c1ccc(c(c1)CO)O TS32604 [1,1,0,0,0,0|1,0,0]=3 1499 B9R1.15 c1ccc(c(c1)CO)S TS37394 [1,1,0,0,0,0|1,0,0]=3 1500 B9R1.15 c1ccc(c(c1)CS)Br TS19524 [1,1,0,0,0,0|1,0,0]=3 1501 B9R1.15 c1ccc(c(c1)CS)Cl TS42000 [1,1,0,0,0,0|1,0,0]=3 1502 B9R1.15 c1ccc(c(c1)CS)F TS06685 [1,1,0,0,0,0|1,0,0]=3 1503 B9R1.15 c1ccc(c(c1)NN)Br TS08822 [1,1,0,0,0,0|1,0,0]=3 1504 B9R1.15 c1ccc(c(c1)NN)Br TS65388 [1,1,0,0,0,0|1,0,0]=3 1505 B9R1.15 c1ccc(c(c1)NN)F TS01033 [1,1,0,0,0,0|1,0,0]=3 1506 B9R1.15 c1ccc(c(c1)NN)F TS01034 [1,1,0,0,0,0|1,0,0]=3 1507 B9R1.15 c1ccc(c(c1)O)[Hg]Cl TS77784 [1,1,0,0,0,0|2,0,0]=4 1508 B9R1.15 c1cn[nH]c(=O)c1CN TS85858 [1,1,0,0,0,0|2,0,0]=4 1509 B9R1.15 c1cnc(c(n1)CN)Cl TS49175 [1,1,0,0,0,0|2,0,0]=4 1510 B9R1.15 c1cnc(c(n1)CN)Cl TS86197 [1,1,0,0,0,0|2,0,0]=4 1511 B9R1.15 c1cncc(c1CO)Br TS87802 [1,1,0,0,0,0|2,0,0]=4 1512 B9R1.15 c1cncc(c1CO)F TS90447 [1,1,0,0,0,0|2,0,0]=4 1513 B9R1.15 c1cncc(c1CO)N TS05021 [1,1,0,0,0,0|2,0,0]=4 1514 B9R1.15 c1cncc(c1CO)O TS05089 [1,1,0,0,0,0|2,0,0]=4 1515 B9R1.15 c1cncc(c1Cl)CO TS08032 [1,1,0,0,0,0|2,0,0]=4 1516 B9R1.15 c1cncc(c1N)CN TS09431 [1,1,0,0,0,0|1,0,0]=3 1517 B9R1.15 c1cncc(c1N)CO TS32608 [1,1,0,0,0,0|2,0,0]=4 1518 B9R1.7 Cc1c[nH]c(n1)CCN TS85318 [0,1,0,0,1,0|2,0,0]=4 1519 B9R1.7 Cc1nc(cs1)CCN TS37628 [0,1,0,0,1,0|2,0,0]=4 1520 B9R1.7 Cn1cc(cn1)CCN TS40006 [0,1,0,0,1,0|2,0,0]=4 1521 B9R1.7 c1c(csc1CCN)Br TS38925 [0,1,0,0,1,0|1,0,0]=3 1522 B9R1.7 c1c(csc1Cl)CNN TS92166 [0,1,0,0,1,0|2,0,0]=4 1523 B9R1.7 c1cc(sc1CCN)Br TS26924 [0,1,0,0,1,0|1,0,0]=3 1524 B9R1.7 c1cc(sc1CCN)Cl TS53962 [0,1,0,0,1,0|1,0,0]=3 1525 B9R1.7 c1cc(sc1CNN)Cl TS86991 [0,1,0,0,1,0|2,0,0]=4 1526 B9R1.11 c1cc(oc1)C(CN)O TS36223 [0,1,0,0,1,0|1,0,0]=3 1527 B9R1.11 c1cc(oc1)[C@@H](CN)O TS36216 [0,1,0,0,1,0|1,0,0]=3 1528 B9R1.11 c1cc(sc1)C(CO)N TS91316 [0,1,0,0,1,0|2,0,0]=4 1529 B9R1.12 CCCCc1ccco1 TS35998 [0,1,0,0,1,0|2,0,0]=4 1530 B9R1.12 CCCCc1cccs1 TS37432 [0,1,0,0,1,0|2,0,0]=4 1531 B9R1.12 CCCCc1ccsc1 TS37433 [0,1,0,0,1,0|2,0,0]=4 1532 B9R1.12 CCSCc1ccco1 TS37624 [0,1,0,0,1,0|2,0,0]=4 1533 B9R1.12 CNCCc1c[nH]cn1 TS53960 [0,1,0,0,1,0|2,0,0]=4 1534 B9R1.12 CNCCc1cccs1 TS06619 [0,1,0,0,1,0|1,0,0]=3 1535 B9R1.12 c1c(nc[nH]1)CCCN TS36075 [0,1,0,0,1,0|2,0,0]=4 1536 B9R1.12 c1ccn(c1)CCC#N TS04819 [0,1,0,0,1,0|1,0,1]=4 1537 B9R1.12 c1ccn(c1)CCCBr TS39573 [0,1,0,0,1,0|2,0,0]=4 1538 B9R1.12 c1ccn(c1)CCCO TS08736 [0,1,0,0,1,0|2,0,0]=4 1539 B9R1.12 c1cn(cn1)CCCN TS46709 [0,1,0,0,1,0|2,0,0]=4 1540 B9R1.12 c1cnn(c1)CCCN TS05096 [0,1,0,0,1,0|2,0,0]=4 1541 B9R1.13 CC(Cc1cccs1)O TS37625 [0,1,0,0,1,0|2,0,0]=4 1542 B9R1.13 C[C@@H](Cc1c[nH]cn1)N TS35022 [0,1,0,0,1,0|2,0,0]=4 1543 B9R1.13 C[C@H](Cc1c[nH]cn1)N TS35021 [0,1,0,0,1,0|2,0,0]=4 1544 B9R1.13 c1cc(sc1)CC(=N)N TS37404 [0,1,0,0,1,0|1,0,1]=4 1545 B9R1.13 c1cc(sc1)CC(=O)N TS37498 [0,1,0,0,1,0|1,0,1]=4 1546 B9R1.13 c1cscc1CC(=N)N TS37397 [0,1,0,0,1,0|1,0,1]=4 1547 B9R1.33 Cc1c(scn1)CCN TS37631 [0,1,0,0,1,0|2,0,0]=4 1548 B9R1.33 Cn1cncc1CCN TS60353 [0,1,0,0,1,0|2,0,0]=4 1549 B11R1.1 C=CCCc1ccc(cc1)F TS40882 [0,2,0,0,0,0|1,0,0]=3 1550 B11R1.1 C=CCOc1ccc(cc1)Cl TS40001 [0,2,0,0,0,0|1,0,1]=4 1551 B11R1.1 CCCC[n+]1ccc(cc1)C TS15546 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.1 CCCC[n+]1ccc(cc1)C TS24834 [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.1 CCCCc1ccc(cc1)Br TS21461 [0,2,0,0,0,0|1,0,0]=3 1554 B11R1.1 CCCCc1ccc(cc1)C TS07510 [0,2,0,0,0,0|1,0,0]=3 1555 B11R1.1 CCCCc1ccc(cc1)I TS29429 [0,2,0,0,0,0|1,0,0]=3 1556 B11R1.1 CCCCc1ccc(cc1)N TS07605 [0,2,0,0,0,0|1,0,0]=3 1557 B11R1.1 CCCCc1ccc(cc1)O TS40895 [0,2,0,0,0,0|1,0,0]=3 1558 B11R1.1 CCCCc1ccc(cc1)S TS43140 [0,2,0,0,0,0|1,0,0]=3 1559 B11R1.1 CCCCc1ccc(nc1)C TS40771 [0,2,0,0,0,0|2,0,0]=4 1560 B11R1.1 CCCOc1ccc(cc1)Br TS00031 [0,2,0,0,0,0|1,0,0]=3 1561 B11R1.1 CCCOc1ccc(cc1)N TS10071 [0,2,0,0,0,0|1,0,0]=3 1562 B11R1.1 CCCOc1ccc(cc1)O TS71268 [0,2,0,0,0,0|1,0,0]=3 1563 B11R1.1 CCNCc1ccc(cc1)Br TS21620 [0,2,0,0,0,0|1,0,0]=3 1564 B11R1.1 CCNCc1ccc(cc1)Cl TS45056 [0,2,0,0,0,0|1,0,0]=3 1565 B11R1.1 CCNCc1ccc(cc1)F TS10337 [0,2,0,0,0,0|1,0,0]=3 1566 B11R1.1 CNCCc1ccc(cc1)Cl TS45060 [0,2,0,0,0,0|0,0,0]=2 1567 B11R1.1 CNCCc1ccc(cc1)F TS10330 [0,2,0,0,0,0|0,0,0]=2 1568 B11R1.1 CNCCc1ccc(cc1)N TS09940 [0,2,0,0,0,0|0,0,0]=2 1569 B11R1.1 CNCCc1ccc(cc1)O TS94477 [0,2,0,0,0,0|0,0,0]=2 1570 B11R1.1 COCCc1ccc(cc1)O TS10182 [0,2,0,0,0,0|1,0,0]=3 1571 B11R1.1 Cc1ccc(cc1)CCC=C TS07263 [0,2,0,0,0,0|1,0,0]=3 1572 B11R1.1 Cc1ccc(cc1)CCC=O TS40656 [0,2,0,0,0,0|1,0,0]=3 1573 B11R1.1 Cc1ccc(cc1)CCCO TS09928 [0,2,0,0,0,0|1,0,0]=3 1574 B11R1.1 Cc1ccc(cc1)CCNC TS39895 [0,2,0,0,0,0|0,0,0]=2 1575 B11R1.1 Cc1ccc(cc1)CN=C=O TS07342 [0,2,0,0,0,0|1,0,1]=4 1576 B11R1.1 Cc1ccc(cc1)NCC#C TS07117 [0,2,0,0,0,0|1,0,1]=4 1577 B11R1.1 Cc1ccc(cc1)OCC#N TS07332 [0,2,0,0,0,0|0,0,2]=4 1578 B11R1.1 Cc1ccc(cc1)OCC=C TS40652 [0,2,0,0,0,0|1,0,1]=4 1579 B11R1.1 Cc1ccc(cc1)OCC=O TS40854 [0,2,0,0,0,0|1,0,1]=4 1580 B11R1.1 Cc1ccc(cc1)OCCBr TS21830 [0,2,0,0,0,0|1,0,0]=3 1581 B11R1.1 Cc1ccc(cc1)OCCO TS10176 [0,2,0,0,0,0|1,0,0]=3 1582 B11R1.1 Cc1ccc(cc1)SCC#N TS60249 [0,2,0,0,0,0|0,0,2]=4 1583 B11R1.1 [C-]#[N+]CCc1ccc(cc1)Br TS20838 [0,2,0,0,0,0|0,0,1]=3 1584 B11R1.1 [C-]#[N+]CCc1ccc(cc1)F TS40736 [0,2,0,0,0,0|0,0,1]=3 1585 B11R1.1 c1cc(ccc1C#CCO)Br TS21066 [0,2,0,0,0,0|1,0,1]=4 1586 B11R1.1 c1cc(ccc1C#CCO)Cl TS12310 [0,2,0,0,0,0|1,0,1]=4 1587 B11R1.1 c1cc(ccc1CCC#N)Br TS09420 [0,2,0,0,0,0|0,0,1]=3 1588 B11R1.1 c1cc(ccc1CCC#N)O TS65688 [0,2,0,0,0,0|0,0,1]=3 1589 B11R1.1 c1cc(ccc1CCC=O)Br TS09421 [0,2,0,0,0,0|1,0,0]=3 1590 B11R1.1 c1cc(ccc1CCCCl)Cl TS46929 [0,2,0,0,0,0|1,0,0]=3 1591 B11R1.1 c1cc(ccc1CCCN)O TS10075 [0,2,0,0,0,0|0,0,0]=2 1592 B11R1.1 c1cc(ccc1CCCO)Br TS08936 [0,2,0,0,0,0|1,0,0]=3 1593 B11R1.1 c1cc(ccc1CCCO)Cl TS12935 [0,2,0,0,0,0|1,0,0]=3 1594 B11R1.1 c1cc(ccc1CCCO)O TS02185 [0,2,0,0,0,0|1,0,0]=3 1595 B11R1.1 c1cc(ccc1CN=C=O)F TS40983 [0,2,0,0,0,0|1,0,1]=4 1596 B11R1.1 c1cc(ccc1CN=C=S)Cl TS15199 [0,2,0,0,0,0|1,0,1]=4 1597 B11R1.1 c1cc(ccc1CN=C=S)F TS03089 [0,2,0,0,0,0|1,0,1]=4 1598 B11R1.1 c1cc(ccc1F)SCC#N TS12398 [0,2,0,0,0,0|0,0,2]=4 1599 B11R1.1 c1cc(ccc1N)NCCO TS62844 [0,2,0,0,0,0|1,0,0]=3 1600 B11R1.1 c1cc(ccc1NCCO)O TS10316 [0,2,0,0,0,0|1,0,0]=3 1601 B11R1.1 c1cc(ccc1O)OCCBr TS49202 [0,2,0,0,0,0|1,0,0]=3 1602 B11R1.1 c1cc(ccc1O)OCCCl TS45561 [0,2,0,0,0,0|1,0,0]=3 1603 B11R1.1 c1cc(ccc1OCC#N)Cl TS12430 [0,2,0,0,0,0|0,0,2]=4 1604 B11R1.1 c1cc(ccc1OCC#N)F TS40982 [0,2,0,0,0,0|0,0,2]=4 1605 B11R1.1 c1cc(ccc1OCCBr)Br TS54291 [0,2,0,0,0,0|1,0,0]=3 1606 B11R1.1 c1cc(ccc1OCCBr)Cl TS08142 [0,2,0,0,0,0|1,0,0]=3 1607 B11R1.1 c1cc(ccc1OCCBr)F TS03098 [0,2,0,0,0,0|1,0,0]=3 1608 B11R1.1 c1cc(ccc1OCCCl)Br TS25793 [0,2,0,0,0,0|1,0,0]=3 1609 B11R1.1 c1cc(ccc1OCCCl)Cl TS08937 [0,2,0,0,0,0|1,0,0]=3 1610 B11R1.1 c1cc(ccc1OCCF)I TS73463 [0,2,0,0,0,0|1,0,0]=3 1611 B11R1.1 c1cc(ccc1OCCO)Br TS49204 [0,2,0,0,0,0|1,0,0]=3 1612 B11R1.1 c1cc(ccc1OCCO)Cl TS45565 [0,2,0,0,0,0|1,0,0]=3 1613 B11R1.1 c1cc(ccc1SCC#N)Cl TS15203 [0,2,0,0,0,0|0,0,2]=4 1614 B11R1.1 c1cc(ccc1SCCN)Br TS30597 [0,2,0,0,0,0|0,0,0]=2 1615 B11R1.1 c1cc(ccc1SCCN)Cl TS15882 [0,2,0,0,0,0|0,0,0]=2 1616 B11R1.1 c1cc(ccc1SCCO)Cl TS16097 [0,2,0,0,0,0|1,0,0]=3 1617 B11R1.1 c1cc(ncc1Cl)SCCO TS50988 [0,2,0,0,0,0|2,0,0]=4 1618 B11R1.20 CC(=O)Cc1ccc(cc1)Br TS21448 [0,2,0,0,0,0|1,0,1]=4 1619 B11R1.20 CC(=O)Cc1ccc(cc1)Cl TS01985 [0,2,0,0,0,0|1,0,1]=4 1620 B11R1.20 CC(=O)Cc1ccc(cc1)F TS10168 [0,2,0,0,0,0|1,0,1]=4 1621 B11R1.20 CC(=O)Cc1ccc(cc1)O TS40856 [0,2,0,0,0,0|1,0,1]=4 1622 B11R1.20 CC(C)Cc1ccc(cc1)Br TS44298 [0,2,0,0,0,0|1,0,0]=3 1623 B11R1.20 CC(C)Cc1ccc(cc1)N TS07610 [0,2,0,0,0,0|1,0,0]=3 1624 B11R1.20 CC(C)Nc1ccc(cc1)Cl TS45059 [0,2,0,0,0,0|2,0,0]=4 1625 B11R1.20 CC(C)Nc1ccc(cc1)F TS10328 [0,2,0,0,0,0|2,0,0]=4 1626 B11R1.20 CC(C)Oc1ccc(cc1)N TS10070 [0,2,0,0,0,0|2,0,0]=4 1627 B11R1.20 CC(C)Oc1ccc(cc1)N TS50642 [0,2,0,0,0,0|2,0,0]=4 1628 B11R1.20 CC(Cc1ccc(cc1)Cl)N TS38929 [0,2,0,0,0,0|0,0,0]=2 1629 B11R1.20 CC(Cc1ccc(cc1)F)N TS10335 [0,2,0,0,0,0|0,0,0]=2 1630 B11R1.20 CC(Cc1ccc(cc1)I)N TS55981 [0,2,0,0,0,0|0,0,0]=2 1631 B11R1.20 CN(C)Cc1ccc(cc1)Br TS21622 [0,2,0,0,0,0|2,0,0]=4 1632 B11R1.20 CN(C)Cc1ccc(cc1)N TS03005 [0,2,0,0,0,0|2,0,0]=4 1633 B11R1.20 Cc1ccc(cc1)CC(=O)C TS07472 [0,2,0,0,0,0|1,0,1]=4 1634 B11R1.20 Cc1ccc(cc1)CC(=O)Cl TS01654 [0,2,0,0,0,0|1,0,1]=4 1635 B11R1.20 Cc1ccc(cc1)CC(=O)O TS65138 [0,2,0,0,0,0|1,0,1]=4 1636 B11R1.20 Cc1ccc(cc1)CC(=S)N TS12091 [0,2,0,0,0,0|0,0,1]=3 1637 B11R1.20 Cc1ccc(cc1)CC(=S)O TS15009 [0,2,0,0,0,0|1,0,1]=4 1638 B11R1.20 Cc1ccc(cc1)NC(=N)N TS07577 [0,2,0,0,0,0|1,0,1]=4 1639 B11R1.20 Cc1ccc(cc1)NC(=O)N TS09890 [0,2,0,0,0,0|1,0,1]=4 1640 B11R1.20 Cc1ccc(cc1)NC(=S)N TS12280 [0,2,0,0,0,0|1,0,1]=4 1641 B11R1.20 Cc1ccc(cc1)OC(F)F TS10932 [0,2,0,0,0,0|2,0,0]=4 1642 B11R1.20 c1cc(ccc1CC(=N)N)Br TS21455 [0,2,0,0,0,0|0,0,1]=3 1643 B11R1.20 c1cc(ccc1CC(=N)N)Cl TS00227 [0,2,0,0,0,0|0,0,1]=3 1644 B11R1.20 c1cc(ccc1CC(=O)Cl)Br TS08909 [0,2,0,0,0,0|1,0,1]=4 1645 B11R1.20 c1cc(ccc1CC(=O)Cl)Cl TS71060 [0,2,0,0,0,0|1,0,1]=4 1646 B11R1.20 c1cc(ccc1CC(=O)Cl)F TS03099 [0,2,0,0,0,0|1,0,1]=4 1647 B11R1.20 c1cc(ccc1CC(=O)N)O TS10025 [0,2,0,0,0,0|0,0,1]=3 1648 B11R1.20 c1cc(ccc1CC(=O)O)Br TS71002 [0,2,0,0,0,0|1,0,1]=4 1649 B11R1.20 c1cc(ccc1CC(=O)O)Cl TS16663 [0,2,0,0,0,0|1,0,1]=4 1650 B11R1.20 c1cc(ccc1CC(=O)O)F TS01853 [0,2,0,0,0,0|1,0,1]=4 1651 B11R1.20 c1cc(ccc1CC(=O)O)I TS29739 [0,2,0,0,0,0|1,0,1]=4 1652 B11R1.20 c1cc(ccc1CC(=O)O)N TS39550 [0,2,0,0,0,0|1,0,1]=4 1653 B11R1.20 c1cc(ccc1CC(=O)O)O TS03131 [0,2,0,0,0,0|1,0,1]=4 1654 B11R1.20 c1cc(ccc1CC(=O)O)S TS44884 [0,2,0,0,0,0|1,0,1]=4 1655 B11R1.20 c1cc(ccc1CC(=S)N)Cl TS15543 [0,2,0,0,0,0|0,0,1]=3 1656 B11R1.20 c1cc(ccc1N)NC(=O)N TS41019 [0,2,0,0,0,0|1,0,1]=4 1657 B11R1.20 c1cc(ccc1N)OC(F)F TS16906 [0,2,0,0,0,0|2,0,0]=4 1658 B11R1.20 c1cc(ccc1N)SC(F)F TS13693 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS12732 [0,2,0,0,0,0|1,0,1]=4 1660 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS20099 [0,2,0,0,0,0|1,0,1]=4 1661 B11R1.20 c1cc(ccc1NC(=N)N)Cl TS69287 [0,2,0,0,0,0|1,0,1]=4 1662 B11R1.20 c1cc(ccc1NC(=N)N)F TS41264 [0,2,0,0,0,0|1,0,1]=4 1663 B11R1.20 c1cc(ccc1NC(=O)N)Br TS44647 [0,2,0,0,0,0|1,0,1]=4 1664 B11R1.20 c1cc(ccc1NC(=O)N)Cl TS45242 [0,2,0,0,0,0|1,0,1]=4 1665 B11R1.20 c1cc(ccc1NC(=O)N)F TS10397 [0,2,0,0,0,0|1,0,1]=4 1666 B11R1.20 c1cc(ccc1NC(=S)N)Br TS25029 [0,2,0,0,0,0|1,0,1]=4 1667 B11R1.20 c1cc(ccc1NC(=S)N)Cl TS15738 [0,2,0,0,0,0|1,0,1]=4 1668 B11R1.20 c1cc(ccc1NC(=S)N)F TS12816 [0,2,0,0,0,0|1,0,1]=4 1669 B11R1.20 c1cc(ccc1NC(=S)N)O TS44895 [0,2,0,0,0,0|1,0,1]=4 1670 B11R1.20 c1cc(ccc1O)OC(F)F TS42116 [0,2,0,0,0,0|2,0,0]=4 1671 B11R1.20 c1cc(ccc1OC(F)F)Br TS50248 [0,2,0,0,0,0|2,0,0]=4 1672 B11R1.20 c1cc(ccc1OC(F)F)I TS30740 [0,2,0,0,0,0|2,0,0]=4 1673 B11R1.20 c1cc(ccc1SC(F)F)Cl TS51937 [0,2,0,0,0,0|2,0,0]=4 1674 B11R1.22 CC(c1ccc(cc1)Br)[N+]#[C-] TS20831 [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,2,0,0,0,0|1,0,1]=4 1676 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,2,0,0,0,0|1,0,1]=4 1677 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,2,0,0,0,0|1,0,1]=4 1678 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,2,0,0,0,0|1,0,1]=4 1679 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,2,0,0,0,0|1,0,1]=4 1680 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,2,0,0,0,0|1,0,1]=4 1681 B11R1.22 CCC(C)c1ccc(cc1)Br TS44299 [0,2,0,0,0,0|1,0,0]=3 1682 B11R1.22 CCC(C)c1ccc(cc1)O TS40902 [0,2,0,0,0,0|1,0,0]=3 1683 B11R1.22 CCN(c1ccc(cc1)C)N TS09946 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.22 C[C@@H](c1ccc(cc1)F)NC TS10333 [0,2,0,0,0,0|2,0,0]=4 1685 B11R1.22 C[C@H](c1ccc(cc1)F)NC TS10331 [0,2,0,0,0,0|2,0,0]=4 1686 B11R1.22 Cc1ccc(cc1)C(=O)CBr TS39652 [0,2,0,0,0,0|1,0,1]=4 1687 B11R1.22 Cc1ccc(cc1)C(=O)CCl TS12617 [0,2,0,0,0,0|1,0,1]=4 1688 B11R1.22 Cc1ccc(cc1)C(=O)CN TS00760 [0,2,0,0,0,0|0,0,1]=3 1689 B11R1.22 Cc1ccc(cc1)C(=O)CN TS47411 [0,2,0,0,0,0|0,0,1]=3 1690 B11R1.22 Cc1ccc(cc1)C(=O)CO TS40865 [0,2,0,0,0,0|1,0,1]=4 1691 B11R1.22 Cc1ccc(cc1)C(=O)NN TS09899 [0,2,0,0,0,0|1,0,1]=4 1692 B11R1.22 Cc1ccc(cc1)C(C)C=O TS07460 [0,2,0,0,0,0|1,0,1]=4 1693 B11R1.22 Cc1ccc(cc1)[C@H](C#N)O TS40536 [0,2,0,0,0,0|0,0,2]=4 1694 B11R1.22 c1cc(ccc1C(=O)CBr)Br TS31287 [0,2,0,0,0,0|1,0,1]=4 1695 B11R1.22 c1cc(ccc1C(=O)CBr)F TS00837 [0,2,0,0,0,0|1,0,1]=4 1696 B11R1.22 c1cc(ccc1C(=O)CBr)I TS00840 [0,2,0,0,0,0|1,0,1]=4 1697 B11R1.22 c1cc(ccc1C(=O)CBr)N TS08872 [0,2,0,0,0,0|1,0,1]=4 1698 B11R1.22 c1cc(ccc1C(=O)CCl)Br TS53521 [0,2,0,0,0,0|1,0,1]=4 1699 B11R1.22 c1cc(ccc1C(=O)CCl)Cl TS50850 [0,2,0,0,0,0|1,0,1]=4 1700 B11R1.22 c1cc(ccc1C(=O)CCl)F TS55185 [0,2,0,0,0,0|1,0,1]=4 1701 B11R1.22 c1cc(ccc1C(=O)CCl)O TS12920 [0,2,0,0,0,0|1,0,1]=4 1702 B11R1.22 c1cc(ccc1C(=O)CF)Cl TS08166 [0,2,0,0,0,0|1,0,1]=4 1703 B11R1.22 c1cc(ccc1C(=O)CN)Br TS08267 [0,2,0,0,0,0|0,0,1]=3 1704 B11R1.22 c1cc(ccc1C(=O)CN)Br TS70999 [0,2,0,0,0,0|0,0,1]=3 1705 B11R1.22 c1cc(ccc1C(=O)CO)Br TS44630 [0,2,0,0,0,0|1,0,1]=4 1706 B11R1.22 c1cc(ccc1C(=O)CO)Cl TS12909 [0,2,0,0,0,0|1,0,1]=4 1707 B11R1.22 c1cc(ccc1C(=O)CO)F TS41344 [0,2,0,0,0,0|1,0,1]=4 1708 B11R1.22 c1cc(ccc1C(=O)CO)I TS29736 [0,2,0,0,0,0|1,0,1]=4 1709 B11R1.22 c1cc(ccc1C(=O)NN)Br TS44646 [0,2,0,0,0,0|1,0,1]=4 1710 B11R1.22 c1cc(ccc1C(=O)NN)Cl TS45235 [0,2,0,0,0,0|1,0,1]=4 1711 B11R1.22 c1cc(ccc1C(=O)NN)F TS16671 [0,2,0,0,0,0|1,0,1]=4 1712 B11R1.22 c1cc(ccc1C(=O)NN)N TS41022 [0,2,0,0,0,0|1,0,1]=4 1713 B11R1.22 c1cc(ccc1C(=O)NN)O TS41128 [0,2,0,0,0,0|1,0,1]=4 1714 B11R1.22 c1cc(ccc1C(C#N)N)F TS07933 [0,2,0,0,0,0|0,0,2]=4 1715 B11R1.22 c1cc(ccc1C(C#N)O)O TS07544 [0,2,0,0,0,0|0,0,2]=4 1716 B11R1.22 c1cc(ccc1C(CBr)Br)F TS34375 [0,2,0,0,0,0|1,0,0]=3 1717 B11R1.22 c1cc(ccc1C(CCl)O)Cl TS51233 [0,2,0,0,0,0|1,0,0]=3 1718 B11R1.22 c1cc(ccc1C(CN)O)Br TS28392 [0,2,0,0,0,0|0,0,0]=2 1719 B11R1.22 c1cc(ccc1C(CN)O)Cl TS43395 [0,2,0,0,0,0|0,0,0]=2 1720 B11R1.22 c1cc(ccc1C(CN)O)F TS51366 [0,2,0,0,0,0|0,0,0]=2 1721 B11R1.22 c1cc(ccc1C(CN)O)O TS41283 [0,2,0,0,0,0|0,0,0]=2 1722 B11R1.22 c1cc(ccc1C(CO)Cl)Cl TS51225 [0,2,0,0,0,0|1,0,0]=3 1723 B11R1.22 c1cc(ccc1[C@@H](CCl)O)F TS13596 [0,2,0,0,0,0|1,0,0]=3 1724 B11R1.22 c1cc(ccc1[C@H](C#N)O)Cl TS43273 [0,2,0,0,0,0|0,0,2]=4 1725 B11R1.22 c1cc(ccc1[C@H](CCl)O)F TS13604 [0,2,0,0,0,0|1,0,0]=3 1726 B11R1.81 CCCc1ccc(cc1O)O TS41141 [0,2,0,0,0,0|1,0,0]=3 1727 B11R1.81 CCNc1ccc(cc1Cl)Cl TS51023 [0,2,0,0,0,0|2,0,0]=4 1728 B11R1.81 CCNc1ccc(cc1N)Cl TS12938 [0,2,0,0,0,0|2,0,0]=4 1729 B11R1.81 CCOc1ccc(cc1Cl)Cl TS51227 [0,2,0,0,0,0|2,0,0]=4 1730 B11R1.81 CCOc1ccc(cc1Cl)F TS13586 [0,2,0,0,0,0|2,0,0]=4 1731 B11R1.81 CCOc1ccc(cc1F)Cl TS13602 [0,2,0,0,0,0|2,0,0]=4 1732 B11R1.81 CCOc1ccc(cc1N)N TS62845 [0,2,0,0,0,0|2,0,0]=4 1733 B11R1.81 Cc1cc(ccc1CCO)F TS41382 [0,2,0,0,0,0|1,0,0]=3 1734 B11R1.81 Cc1ccc(c(c1)C)CC#N TS07115 [0,2,0,0,0,0|0,0,2]=4 1735 B11R1.81 Cc1ccc(c(c1)C)CCN TS07611 [0,2,0,0,0,0|0,0,0]=2 1736 B11R1.81 Cc1ccc(c(c1)C)CCO TS40908 [0,2,0,0,0,0|1,0,0]=3 1737 B11R1.81 Cc1ccc(c(c1)F)CC#N TS09298 [0,2,0,0,0,0|0,0,2]=4 1738 B11R1.81 [C-]#[N+]Cc1ccc(cc1F)Br TS21594 [0,2,0,0,0,0|2,0,0]=4 1739 B11R1.81 c1cc(c(cc1Br)F)CC#N TS16942 [0,2,0,0,0,0|0,0,2]=4 1740 B11R1.81 c1cc(c(cc1Cl)Cl)CC#N TS48827 [0,2,0,0,0,0|0,0,2]=4 1741 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS07994 [0,2,0,0,0,0|0,0,0]=2 1742 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51015 [0,2,0,0,0,0|0,0,0]=2 1743 B11R1.81 c1cc(c(cc1Cl)Cl)CCN TS51021 [0,2,0,0,0,0|0,0,0]=2 1744 B11R1.81 c1cc(c(cc1Cl)Cl)CCO TS47216 [0,2,0,0,0,0|1,0,0]=3 1745 B11R1.81 c1cc(c(cc1Cl)Cl)CNN TS86264 [0,2,0,0,0,0|1,0,0]=3 1746 B11R1.81 c1cc(c(cc1Cl)Cl)CON TS24614 [0,2,0,0,0,0|1,0,0]=3 1747 B11R1.81 c1cc(c(cc1Cl)F)CC#N TS03041 [0,2,0,0,0,0|0,0,2]=4 1748 B11R1.81 c1cc(c(cc1F)Cl)CC#N TS02688 [0,2,0,0,0,0|0,0,2]=4 1749 B11R1.81 c1cc(c(cc1F)Cl)CC=O TS13265 [0,2,0,0,0,0|1,0,1]=4 1750 B11R1.81 c1cc(c(cc1F)Cl)CCO TS13593 [0,2,0,0,0,0|1,0,0]=3 1751 B11R1.81 c1cc(c(cc1F)Cl)CNN TS87366 [0,2,0,0,0,0|1,0,0]=3 1752 B11R1.81 c1cc(c(cc1F)Cl)CON TS93678 [0,2,0,0,0,0|1,0,0]=3 1753 B11R1.81 c1cc(c(cc1F)F)CC#N TS00633 [0,2,0,0,0,0|0,0,2]=4 1754 B11R1.81 c1cc(c(cc1F)F)CCN TS41757 [0,2,0,0,0,0|0,0,0]=2 1755 B11R1.83 CCCc1ccc(cc1)C#C TS08750 [0,2,0,0,0,0|1,0,0]=3 1756 B11R1.83 CCCc1ccc(cc1)C=O TS40660 [0,2,0,0,0,0|1,0,0]=3 1757 B11R1.83 CCCc1ccc(cc1)CN TS07601 [0,2,0,0,0,0|1,0,0]=3 1758 B11R1.83 CCCc1ccc(cc1)NN TS15743 [0,2,0,0,0,0|1,0,0]=3 1759 B11R1.83 CCCc1ccc(cc1)OC TS40915 [0,2,0,0,0,0|1,0,0]=3 1760 B11R1.83 CCNc1ccc(cc1)C#N TS40442 [0,2,0,0,0,0|2,0,0]=4 1761 B11R1.83 CCOc1ccc(cc1)C#C TS59514 [0,2,0,0,0,0|2,0,0]=4 1762 B11R1.83 CCOc1ccc(cc1)C#N TS07333 [0,2,0,0,0,0|2,0,0]=4 1763 B11R1.83 CCOc1ccc(cc1)C=C TS07479 [0,2,0,0,0,0|2,0,0]=4 1764 B11R1.83 CCOc1ccc(cc1)C=O TS71098 [0,2,0,0,0,0|2,0,0]=4 1765 B11R1.83 CCOc1ccc(cc1)CBr TS21838 [0,2,0,0,0,0|2,0,0]=4 1766 B11R1.83 CCOc1ccc(cc1)CO TS10188 [0,2,0,0,0,0|2,0,0]=4 1767 B11R1.83 CCOc1ccc(cc1)C[Zn+] TS25824 [0,2,0,0,0,0|2,0,0]=4 1768 B11R1.83 CCSc1ccc(cc1)C=O TS12276 [0,2,0,0,0,0|2,0,0]=4 1769 B11R1.83 CCc1ccc(cc1)CC#N TS07123 [0,2,0,0,0,0|0,0,2]=4 1770 B11R1.83 CCc1ccc(cc1)CNC TS40780 [0,2,0,0,0,0|2,0,0]=4 1771 B11R1.83 CCc1ccc(cc1)OCC TS40919 [0,2,0,0,0,0|2,0,0]=4 1772 B11R1.83 CCc1ccc(nc1)CCO TS10081 [0,2,0,0,0,0|2,0,0]=4 1773 B11R1.83 CNCc1ccc(cc1)C#N TS40437 [0,2,0,0,0,0|2,0,0]=4 1774 B11R1.83 CNCc1ccc(cc1)OC TS03152 [0,2,0,0,0,0|2,0,0]=4 1775 B11R1.83 CNCc1ccc(cc1)OC TS03153 [0,2,0,0,0,0|2,0,0]=4 1776 B11R1.83 COc1ccc(cc1)CC#N TS39555 [0,2,0,0,0,0|0,0,2]=4 1777 B11R1.83 COc1ccc(cc1)CC=C TS07478 [0,2,0,0,0,0|1,0,1]=4 1778 B11R1.83 COc1ccc(cc1)CC=O TS09869 [0,2,0,0,0,0|1,0,1]=4 1779 B11R1.83 COc1ccc(cc1)CCCl TS12933 [0,2,0,0,0,0|1,0,0]=3 1780 B11R1.83 COc1ccc(cc1)CCO TS41151 [0,2,0,0,0,0|1,0,0]=3 1781 B11R1.83 COc1ccc(cc1)CNN TS87992 [0,2,0,0,0,0|1,0,0]=3 1782 B11R1.83 COc1ccc(cc1)CO[NH3+] TS39583 [0,2,0,0,0,0|1,0,1]=4 1783 B11R1.83 COc1ccc(cc1)C[N+]#[C-] TS07349 [0,2,0,0,0,0|2,0,0]=4 1784 B11R1.83 c1cc(ccc1CC#N)C#N TS37566 [0,2,0,0,0,0|0,0,2]=4 1785 B11R1.83 c1cc(ccc1CCN)CO TS16390 [0,2,0,0,0,0|0,0,0]=2 1786 B11R1.192 C=CCc1ccc(c(c1)Cl)F TS45245 [0,2,0,0,0,0|1,0,1]=4 1787 B11R1.192 C=CCc1ccc(c(c1)F)Cl TS45247 [0,2,0,0,0,0|1,0,1]=4 1788 B11R1.192 C=CCc1ccc(c(c1)F)F TS10400 [0,2,0,0,0,0|1,0,1]=4 1789 B11R1.192 CCNc1ccc(c(c1)Cl)Cl TS51008 [0,2,0,0,0,0|2,0,0]=4 1790 B11R1.192 CCOc1ccc(c(c1)Cl)F TS13603 [0,2,0,0,0,0|2,0,0]=4 1791 B11R1.192 CCOc1ccc(c(c1)F)Cl TS13591 [0,2,0,0,0,0|2,0,0]=4 1792 B11R1.192 CCOc1ccc(c(c1)F)F TS10941 [0,2,0,0,0,0|2,0,0]=4 1793 B11R1.192 CCOc1ccc(c(c1)F)N TS51367 [0,2,0,0,0,0|2,0,0]=4 1794 B11R1.192 Cc1cc(ccc1F)CC=C TS40884 [0,2,0,0,0,0|1,0,1]=4 1795 B11R1.192 Cc1cc(ccc1F)CCO TS41380 [0,2,0,0,0,0|1,0,0]=3 1796 B11R1.192 Cc1ccc(cc1C)CC#N TS07125 [0,2,0,0,0,0|0,0,2]=4 1797 B11R1.192 Cc1ccc(cc1C)CCN TS65765 [0,2,0,0,0,0|0,0,0]=2 1798 B11R1.192 Cc1ccc(cc1F)CC#N TS02759 [0,2,0,0,0,0|0,0,2]=4 1799 B11R1.192 Cc1ccc(cc1F)CC=C TS40885 [0,2,0,0,0,0|1,0,1]=4 1800 B11R1.192 Cc1ccc(cc1F)CCO TS41379 [0,2,0,0,0,0|1,0,0]=3 1801 B11R1.192 [C-]#[N+]Cc1ccc(c(c1)Br)F TS21595 [0,2,0,0,0,0|2,0,0]=4 1802 B11R1.192 c1cc(c(cc1CC#N)Cl)Cl TS60316 [0,2,0,0,0,0|0,0,2]=4 1803 B11R1.192 c1cc(c(cc1CC#N)Cl)F TS02689 [0,2,0,0,0,0|0,0,2]=4 1804 B11R1.192 c1cc(c(cc1CC#N)F)Cl TS07781 [0,2,0,0,0,0|0,0,2]=4 1805 B11R1.192 c1cc(c(cc1CC#N)F)F TS41239 [0,2,0,0,0,0|0,0,2]=4 1806 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS51014 [0,2,0,0,0,0|0,0,0]=2 1807 B11R1.192 c1cc(c(cc1CCN)Cl)Cl TS77162 [0,2,0,0,0,0|0,0,0]=2 1808 B11R1.192 c1cc(c(cc1CCN)O)O TS16255 [0,2,0,0,0,0|0,0,0]=2 1809 B11R1.192 c1cc(c(cc1CCN)O)O TS19647 [0,2,0,0,0,0|0,0,0]=2 1810 B11R1.192 c1cc(c(cc1CCN)O)O TS25493 [0,2,0,0,0,0|0,0,0]=2 1811 B11R1.192 c1cc(c(cc1CCO)Cl)Cl TS51235 [0,2,0,0,0,0|1,0,0]=3 1812 B11R1.192 c1cc(c(cc1CCO)Cl)F TS13598 [0,2,0,0,0,0|1,0,0]=3 1813 B11R1.192 c1cc(c(cc1CCO)F)Cl TS13605 [0,2,0,0,0,0|1,0,0]=3 1814 B11R1.192 c1cc(c(cc1CCO)F)F TS10938 [0,2,0,0,0,0|1,0,0]=3 1815 B11R1.192 c1cc(c(cc1CCO)O)O TS02550 [0,2,0,0,0,0|1,0,0]=3 1816 B11R1.192 c1cc(c(cc1CO[NH3+])Cl)Cl TS24615 [0,2,0,0,0,0|1,0,1]=4 1817 B11R1.13 C=CCc1cccc(c1O)Cl TS44953 [0,2,0,0,0,0|1,0,1]=4 1818 B11R1.13 CCNc1cccc(c1C)C TS40772 [0,2,0,0,0,0|2,0,0]=4 1819 B11R1.13 CCNc1cccc(c1Cl)Cl TS51011 [0,2,0,0,0,0|2,0,0]=4 1820 B11R1.13 CCOc1cccc(c1F)F TS59507 [0,2,0,0,0,0|2,0,0]=4 1821 B11R1.13 Cc1cccc(c1C)CC#N TS07113 [0,2,0,0,0,0|0,0,2]=4 1822 B11R1.13 Cc1cccc(c1O)CC=C TS07465 [0,2,0,0,0,0|1,0,1]=4 1823 B11R1.13 c1cc(c(c(c1)Cl)Cl)CC#N TS48825 [0,2,0,0,0,0|0,0,2]=4 1824 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51010 [0,2,0,0,0,0|0,0,0]=2 1825 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCN TS51019 [0,2,0,0,0,0|0,0,0]=2 1826 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO TS17227 [0,2,0,0,0,0|1,0,0]=3 1827 B11R1.13 c1cc(c(c(c1)Cl)F)CC#N TS65487 [0,2,0,0,0,0|0,0,2]=4 1828 B11R1.13 c1cc(c(c(c1)F)F)CC#N TS02341 [0,2,0,0,0,0|0,0,2]=4 1829 B11R1.13 c1cc(c(c(c1)F)F)CCO TS10940 [0,2,0,0,0,0|1,0,0]=3 1830 B11R1.17 C=CCCc1ccccc1Br TS43954 [0,2,0,0,0,0|1,0,0]=3 1831 B11R1.17 C=CCOc1ccccc1Cl TS44954 [0,2,0,0,0,0|1,0,1]=4 1832 B11R1.17 C=CCOc1ccccc1O TS09860 [0,2,0,0,0,0|1,0,1]=4 1833 B11R1.17 CCCCc1ccccc1N TS07609 [0,2,0,0,0,0|1,0,0]=3 1834 B11R1.17 CNCCc1ccccc1F TS10332 [0,2,0,0,0,0|0,0,0]=2 1835 B11R1.17 Cc1ccccc1CN=C=O TS07341 [0,2,0,0,0,0|1,0,1]=4 1836 B11R1.17 Cc1ccccc1CN=C=S TS11741 [0,2,0,0,0,0|1,0,1]=4 1837 B11R1.17 Cc1ccccc1NCCO TS41044 [0,2,0,0,0,0|1,0,0]=3 1838 B11R1.17 Cc1ccccc1OCCBr TS08141 [0,2,0,0,0,0|1,0,0]=3 1839 B11R1.17 [C-]#[N+]CCc1ccccc1F TS07565 [0,2,0,0,0,0|0,0,1]=3 1840 B11R1.17 c1ccc(c(c1)C#CCO)Br TS21059 [0,2,0,0,0,0|1,0,1]=4 1841 B11R1.17 c1ccc(c(c1)C#CCO)Cl TS12313 [0,2,0,0,0,0|1,0,1]=4 1842 B11R1.17 c1ccc(c(c1)CCC#N)Cl TS12105 [0,2,0,0,0,0|0,0,1]=3 1843 B11R1.17 c1ccc(c(c1)CCCN)N TS09947 [0,2,0,0,0,0|0,0,0]=2 1844 B11R1.17 c1ccc(c(c1)CCCN)O TS10076 [0,2,0,0,0,0|0,0,0]=2 1845 B11R1.17 c1ccc(c(c1)CCCO)Br TS21829 [0,2,0,0,0,0|1,0,0]=3 1846 B11R1.17 c1ccc(c(c1)CN=C=O)F TS40975 [0,2,0,0,0,0|1,0,1]=4 1847 B11R1.17 c1ccc(c(c1)CN=C=S)Cl TS15202 [0,2,0,0,0,0|1,0,1]=4 1848 B11R1.17 c1ccc(c(c1)CN=C=S)F TS12394 [0,2,0,0,0,0|1,0,1]=4 1849 B11R1.17 c1ccc(c(c1)N)NCCN TS10085 [0,2,0,0,0,0|0,0,0]=2 1850 B11R1.17 c1ccc(c(c1)N)NCCO TS16091 [0,2,0,0,0,0|1,0,0]=3 1851 B11R1.17 c1ccc(c(c1)O)OCCO TS08221 [0,2,0,0,0,0|1,0,0]=3 1852 B11R1.17 c1ccc(c(c1)OCC#N)Cl TS43278 [0,2,0,0,0,0|0,0,2]=4 1853 B11R1.17 c1ccc(c(c1)OCCBr)Br TS54290 [0,2,0,0,0,0|1,0,0]=3 1854 B11R1.17 c1ccc(c(c1)OCCBr)Cl TS25797 [0,2,0,0,0,0|1,0,0]=3 1855 B11R1.17 c1ccc(c(c1)OCCBr)F TS22535 [0,2,0,0,0,0|1,0,0]=3 1856 B11R1.17 c1ccc(c(c1)OCCCl)Br TS25794 [0,2,0,0,0,0|1,0,0]=3 1857 B11R1.17 c1ccc(c(c1)OCCN)Cl TS45380 [0,2,0,0,0,0|0,0,0]=2 1858 B11R1.17 c1ccc(c(c1)OCCO)Cl TS45566 [0,2,0,0,0,0|1,0,0]=3 1859 B11R1.17 c1ccc(c(c1)SCCO)Br TS25354 [0,2,0,0,0,0|1,0,0]=3 1860 B11R1.41 C=CCc1ccccc1CO TS07463 [0,2,0,0,0,0|1,0,1]=4 1861 B11R1.41 CCOc1ccccc1C#N TS65044 [0,2,0,0,0,0|2,0,0]=4 1862 B11R1.41 CCOc1ccccc1C=O TS40864 [0,2,0,0,0,0|2,0,0]=4 1863 B11R1.41 CCOc1ccccc1CN TS41033 [0,2,0,0,0,0|2,0,0]=4 1864 B11R1.41 CCOc1ccccc1CO TS10180 [0,2,0,0,0,0|2,0,0]=4 1865 B11R1.41 CCOc1ccccc1C[Zn+] TS25823 [0,2,0,0,0,0|2,0,0]=4 1866 B11R1.41 CCOc1ccccc1OC TS41144 [0,2,0,0,0,0|2,0,0]=4 1867 B11R1.41 CNCc1ccccc1OC TS10080 [0,2,0,0,0,0|2,0,0]=4 1868 B11R1.41 COc1ccccc1CC#N TS07347 [0,2,0,0,0,0|0,0,2]=4 1869 B11R1.41 COc1ccccc1CC=C TS07469 [0,2,0,0,0,0|1,0,1]=4 1870 B11R1.41 COc1ccccc1CCN TS41034 [0,2,0,0,0,0|0,0,0]=2 1871 B11R1.41 COc1ccccc1CCO TS10185 [0,2,0,0,0,0|1,0,0]=3 1872 B11R1.41 COc1ccccc1CNN TS52128 [0,2,0,0,0,0|1,0,0]=3 1873 B11R1.41 COc1ccccc1CNN TS91568 [0,2,0,0,0,0|1,0,0]=3 1874 B11R1.41 COc1ccccc1CO[NH3+] TS16256 [0,2,0,0,0,0|1,0,1]=4 1875 B11R1.41 c1ccc(c(c1)CC#N)C#N TS37568 [0,2,0,0,0,0|0,0,2]=4 1876 B11R1.41 c1ccc(c(c1)CCBr)C=O TS16659 [0,2,0,0,0,0|1,0,0]=3 1877 B11R1.86 CC(=O)Cc1ccccc1Br TS21452 [0,2,0,0,0,0|1,0,1]=4 1878 B11R1.86 CC(=O)Cc1ccccc1Cl TS44948 [0,2,0,0,0,0|1,0,1]=4 1879 B11R1.86 CC(=O)Cc1ccccc1F TS10163 [0,2,0,0,0,0|1,0,1]=4 1880 B11R1.86 CC(C)Cc1ccccc1O TS40918 [0,2,0,0,0,0|1,0,0]=3 1881 B11R1.86 CC(C)Oc1ccccc1Br TS21828 [0,2,0,0,0,0|2,0,0]=4 1882 B11R1.86 CC(C)Oc1ccccc1O TS10184 [0,2,0,0,0,0|2,0,0]=4 1883 B11R1.86 CN(C)Cc1ccccc1Br TS21621 [0,2,0,0,0,0|2,0,0]=4 1884 B11R1.86 CN(C)Cc1ccccc1N TS09933 [0,2,0,0,0,0|2,0,0]=4 1885 B11R1.86 Cc1ccccc1CC(=O)C TS40648 [0,2,0,0,0,0|1,0,1]=4 1886 B11R1.86 Cc1ccccc1CC(=O)Cl TS12613 [0,2,0,0,0,0|1,0,1]=4 1887 B11R1.86 Cc1ccccc1CC(=O)O TS40859 [0,2,0,0,0,0|1,0,1]=4 1888 B11R1.86 Cc1ccccc1NC(=N)N TS07578 [0,2,0,0,0,0|1,0,1]=4 1889 B11R1.86 Cc1ccccc1NC(=N)N TS15535 [0,2,0,0,0,0|1,0,1]=4 1890 B11R1.86 Cc1ccccc1NC(=O)N TS40867 [0,2,0,0,0,0|1,0,1]=4 1891 B11R1.86 Cc1ccccc1NC(=S)N TS12284 [0,2,0,0,0,0|1,0,1]=4 1892 B11R1.86 Cc1ccccc1OC(F)F TS10937 [0,2,0,0,0,0|2,0,0]=4 1893 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F TS08220 [0,2,0,0,0,0|1,0,1]=4 1894 B11R1.86 c1ccc(c(c1)CC(=O)N)Br TS44449 [0,2,0,0,0,0|0,0,1]=3 1895 B11R1.86 c1ccc(c(c1)CC(=O)O)Br TS00856 [0,2,0,0,0,0|1,0,1]=4 1896 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl TS59962 [0,2,0,0,0,0|1,0,1]=4 1897 B11R1.86 c1ccc(c(c1)CC(=O)O)F TS93807 [0,2,0,0,0,0|1,0,1]=4 1898 B11R1.86 c1ccc(c(c1)CC(=O)O)I TS01083 [0,2,0,0,0,0|1,0,1]=4 1899 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS10032 [0,2,0,0,0,0|1,0,1]=4 1900 B11R1.86 c1ccc(c(c1)CC(=O)O)N TS59939 [0,2,0,0,0,0|1,0,1]=4 1901 B11R1.86 c1ccc(c(c1)CC(=O)O)O TS07851 [0,2,0,0,0,0|1,0,1]=4 1902 B11R1.86 c1ccc(c(c1)CC(=O)O)S TS44883 [0,2,0,0,0,0|1,0,1]=4 1903 B11R1.86 c1ccc(c(c1)CC(=S)N)Cl TS15541 [0,2,0,0,0,0|0,0,1]=3 1904 B11R1.86 c1ccc(c(c1)N)OC(F)F TS08942 [0,2,0,0,0,0|2,0,0]=4 1905 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS12730 [0,2,0,0,0,0|1,0,1]=4 1906 B11R1.86 c1ccc(c(c1)NC(=N)N)Cl TS20098 [0,2,0,0,0,0|1,0,1]=4 1907 B11R1.86 c1ccc(c(c1)NC(=N)N)F TS41263 [0,2,0,0,0,0|1,0,1]=4 1908 B11R1.86 c1ccc(c(c1)NC(=O)N)F TS41355 [0,2,0,0,0,0|1,0,1]=4 1909 B11R1.86 c1ccc(c(c1)NC(=S)N)Br TS53128 [0,2,0,0,0,0|1,0,1]=4 1910 B11R1.86 c1ccc(c(c1)NC(=S)N)Cl TS15736 [0,2,0,0,0,0|1,0,1]=4 1911 B11R1.86 c1ccc(c(c1)NC(=S)N)F TS12815 [0,2,0,0,0,0|1,0,1]=4 1912 B11R1.86 c1ccc(c(c1)O)OC(F)F TS42114 [0,2,0,0,0,0|2,0,0]=4 1913 B11R1.86 c1ccc(c(c1)OC(F)F)Br TS50252 [0,2,0,0,0,0|2,0,0]=4 1914 B11R1.182 C=CCc1cc(ccc1O)Cl TS44950 [0,2,0,0,0,0|1,0,1]=4 1915 B11R1.182 CCNc1cc(ccc1C)O TS41041 [0,2,0,0,0,0|2,0,0]=4 1916 B11R1.182 CCNc1cc(ccc1Cl)Cl TS51022 [0,2,0,0,0,0|2,0,0]=4 1917 B11R1.182 CCOc1cc(ccc1Br)N TS28395 [0,2,0,0,0,0|2,0,0]=4 1918 B11R1.182 CCOc1cc(ccc1Cl)F TS13585 [0,2,0,0,0,0|2,0,0]=4 1919 B11R1.182 CCOc1cc(ccc1F)Cl TS13597 [0,2,0,0,0,0|2,0,0]=4 1920 B11R1.182 CCOc1cc(ccc1N)F TS51362 [0,2,0,0,0,0|2,0,0]=4 1921 B11R1.182 CCOc1cc(ccc1O)C TS10189 [0,2,0,0,0,0|2,0,0]=4 1922 B11R1.182 CNCc1cc(ccc1Cl)Cl TS33078 [0,2,0,0,0,0|2,0,0]=4 1923 B11R1.182 COCc1cc(ccc1Br)F TS22533 [0,2,0,0,0,0|2,0,0]=4 1924 B11R1.182 COCc1cc(ccc1F)Br TS22532 [0,2,0,0,0,0|2,0,0]=4 1925 B11R1.182 Cc1ccc(c(c1)CC#N)C TS07114 [0,2,0,0,0,0|0,0,2]=4 1926 B11R1.182 Cc1ccc(c(c1)CCN)C TS07614 [0,2,0,0,0,0|0,0,0]=2 1927 B11R1.182 Cc1ccc(c(c1)CCO)C TS40917 [0,2,0,0,0,0|1,0,0]=3 1928 B11R1.182 Cc1ccc(c(c1)CSC)O TS12580 [0,2,0,0,0,0|2,0,0]=4 1929 B11R1.182 Cc1ccc(cc1CC#N)F TS40737 [0,2,0,0,0,0|0,0,2]=4 1930 B11R1.182 [C-]#[N+]Cc1cc(ccc1F)Br TS21596 [0,2,0,0,0,0|2,0,0]=4 1931 B11R1.182 c1cc(c(cc1Cl)CC#N)Cl TS48828 [0,2,0,0,0,0|0,0,2]=4 1932 B11R1.182 c1cc(c(cc1Cl)CC#N)F TS60082 [0,2,0,0,0,0|0,0,2]=4 1933 B11R1.182 c1cc(c(cc1Cl)CCN)Cl TS51018 [0,2,0,0,0,0|0,0,0]=2 1934 B11R1.182 c1cc(c(cc1Cl)CCO)Cl TS51229 [0,2,0,0,0,0|1,0,0]=3 1935 B11R1.182 c1cc(c(cc1F)CC#N)Br TS21597 [0,2,0,0,0,0|0,0,2]=4 1936 B11R1.182 c1cc(c(cc1F)CC#N)Cl TS09286 [0,2,0,0,0,0|0,0,2]=4 1937 B11R1.182 c1cc(c(cc1F)CC#N)F TS41234 [0,2,0,0,0,0|0,0,2]=4 1938 B11R1.182 c1cc(c(cc1N)CCO)N TS28052 [0,2,0,0,0,0|1,0,0]=3 1939 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,2,0,0,0,0|1,0,1]=4 1940 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,2,0,0,0,0|1,0,1]=4 1941 B11R1.222 CCC(C)c1ccccc1N TS40776 [0,2,0,0,0,0|1,0,0]=3 1942 B11R1.222 CCC(C)c1ccccc1O TS40906 [0,2,0,0,0,0|1,0,0]=3 1943 B11R1.222 Cc1ccccc1C(=O)NN TS40876 [0,2,0,0,0,0|1,0,1]=4 1944 B11R1.222 c1ccc(c(c1)C(=O)CBr)Br TS00854 [0,2,0,0,0,0|1,0,1]=4 1945 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl TS08386 [0,2,0,0,0,0|1,0,1]=4 1946 B11R1.222 c1ccc(c(c1)C(=O)CBr)F TS01031 [0,2,0,0,0,0|1,0,1]=4 1947 B11R1.222 c1ccc(c(c1)C(=O)CBr)O TS44636 [0,2,0,0,0,0|1,0,1]=4 1948 B11R1.222 c1ccc(c(c1)C(=O)CCl)N TS08140 [0,2,0,0,0,0|1,0,1]=4 1949 B11R1.222 c1ccc(c(c1)C(=O)CN)F TS08266 [0,2,0,0,0,0|0,0,1]=3 1950 B11R1.222 c1ccc(c(c1)C(=O)NN)Br TS44649 [0,2,0,0,0,0|1,0,1]=4 1951 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl TS45234 [0,2,0,0,0,0|1,0,1]=4 1952 B11R1.222 c1ccc(c(c1)C(=O)NN)F TS10393 [0,2,0,0,0,0|1,0,1]=4 1953 B11R1.222 c1ccc(c(c1)C(=O)NN)I TS29743 [0,2,0,0,0,0|1,0,1]=4 1954 B11R1.222 c1ccc(c(c1)C(=O)NN)N TS41026 [0,2,0,0,0,0|1,0,1]=4 1955 B11R1.222 c1ccc(c(c1)C(=O)NN)O TS41118 [0,2,0,0,0,0|1,0,1]=4 1956 B11R1.222 c1ccc(c(c1)C(CN)O)Br TS28393 [0,2,0,0,0,0|0,0,0]=2 1957 B11R1.222 c1ccc(c(c1)C(CN)O)Cl TS43394 [0,2,0,0,0,0|0,0,0]=2 1958 B11R1.222 c1ccc(c(c1)C(CN)O)F TS51364 [0,2,0,0,0,0|0,0,0]=2 1959 B11R1.222 c1ccc(c(c1)C(CN)O)I TS74551 [0,2,0,0,0,0|0,0,0]=2 1960 B11R1.222 c1ccc(c(c1)C(CO)N)Cl TS45379 [0,2,0,0,0,0|1,0,0]=3 1961 B11R1.605 CCCc1c(cccc1O)O TS41152 [0,2,0,0,0,0|1,0,0]=3 1962 B11R1.605 CCNc1c(cccc1Cl)Cl TS51009 [0,2,0,0,0,0|2,0,0]=4 1963 B11R1.605 COCc1c(cccc1Cl)Cl TS51226 [0,2,0,0,0,0|2,0,0]=4 1964 B11R1.605 Cc1cccc(c1CC#N)C TS40327 [0,2,0,0,0,0|0,0,2]=4 1965 B11R1.605 c1cc(c(c(c1)Cl)CC#N)Cl TS34636 [0,2,0,0,0,0|0,0,2]=4 1966 B11R1.605 c1cc(c(c(c1)Cl)CC#N)F TS45047 [0,2,0,0,0,0|0,0,2]=4 1967 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl TS07995 [0,2,0,0,0,0|0,0,0]=2 1968 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl TS51017 [0,2,0,0,0,0|0,0,0]=2 1969 B11R1.605 c1cc(c(c(c1)Cl)CCN)F TS13424 [0,2,0,0,0,0|0,0,0]=2 1970 B11R1.605 c1cc(c(c(c1)Cl)CCO)Cl TS51230 [0,2,0,0,0,0|1,0,0]=3 1971 B11R1.605 c1cc(c(c(c1)Cl)CCO)F TS32915 [0,2,0,0,0,0|1,0,0]=3 1972 B11R1.605 c1cc(c(c(c1)Cl)CON)F TS94245 [0,2,0,0,0,0|1,0,0]=3 1973 B11R1.605 c1cc(c(c(c1)F)CC#N)F TS59552 [0,2,0,0,0,0|0,0,2]=4 1974 B11R1.605 c1cc(c(c(c1)F)CCN)F TS10829 [0,2,0,0,0,0|0,0,0]=2 1975 B11R1.605 c1cc(c(c(c1)F)CCO)F TS10936 [0,2,0,0,0,0|1,0,0]=3 1976 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,2,0,0,0,0|1,0,1]=4 1977 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,2,0,0,0,0|1,0,1]=4 1978 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,2,0,0,0,0|1,0,1]=4 1979 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,2,0,0,0,0|1,0,1]=4 1980 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,2,0,0,0,0|1,0,1]=4 1981 B11R1.23 CCN(c1cccc(c1)C)N TS09936 [0,2,0,0,0,0|2,0,0]=4 1982 B11R1.23 CC[C@@H](c1cccc(c1)Cl)N TS45063 [0,2,0,0,0,0|1,0,0]=3 1983 B11R1.23 Cc1cccc(c1)C(=O)NN TS40877 [0,2,0,0,0,0|1,0,1]=4 1984 B11R1.23 Cc1cccc(c1)C(CN)O TS50638 [0,2,0,0,0,0|0,0,0]=2 1985 B11R1.23 c1cc(cc(c1)Br)C(=O)CBr TS47138 [0,2,0,0,0,0|1,0,1]=4 1986 B11R1.23 c1cc(cc(c1)Br)C(=O)NN TS22887 [0,2,0,0,0,0|1,0,1]=4 1987 B11R1.23 c1cc(cc(c1)Br)C(CN)O TS28394 [0,2,0,0,0,0|0,0,0]=2 1988 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr TS00836 [0,2,0,0,0,0|1,0,1]=4 1989 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl TS50852 [0,2,0,0,0,0|1,0,1]=4 1990 B11R1.23 c1cc(cc(c1)Cl)C(=O)CN TS20094 [0,2,0,0,0,0|0,0,1]=3 1991 B11R1.23 c1cc(cc(c1)Cl)C(=O)NN TS45241 [0,2,0,0,0,0|1,0,1]=4 1992 B11R1.23 c1cc(cc(c1)Cl)C(CBr)O TS25796 [0,2,0,0,0,0|1,0,0]=3 1993 B11R1.23 c1cc(cc(c1)Cl)C(CCl)O TS51228 [0,2,0,0,0,0|1,0,0]=3 1994 B11R1.23 c1cc(cc(c1)Cl)C(CN)O TS43396 [0,2,0,0,0,0|0,0,0]=2 1995 B11R1.23 c1cc(cc(c1)Cl)C(CO)Cl TS17228 [0,2,0,0,0,0|1,0,0]=3 1996 B11R1.23 c1cc(cc(c1)Cl)[C@@H](CO)N TS93997 [0,2,0,0,0,0|1,0,0]=3 1997 B11R1.23 c1cc(cc(c1)Cl)[C@H](CCl)O TS51236 [0,2,0,0,0,0|1,0,0]=3 1998 B11R1.23 c1cc(cc(c1)Cl)[C@H](CN)O TS43393 [0,2,0,0,0,0|0,0,0]=2 1999 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)N TS45378 [0,2,0,0,0,0|1,0,0]=3 2000 B11R1.23 c1cc(cc(c1)Cl)[C@H](CO)O TS45562 [0,2,0,0,0,0|1,0,0]=3 2001 B11R1.23 c1cc(cc(c1)F)C(=O)CBr TS70599 [0,2,0,0,0,0|1,0,1]=4 2002 B11R1.23 c1cc(cc(c1)F)C(=O)CCl TS09259 [0,2,0,0,0,0|1,0,1]=4 2003 B11R1.23 c1cc(cc(c1)F)C(=O)NN TS10394 [0,2,0,0,0,0|1,0,1]=4 2004 B11R1.23 c1cc(cc(c1)F)C(CN)O TS51365 [0,2,0,0,0,0|0,0,0]=2 2005 B11R1.23 c1cc(cc(c1)N)C(=O)CBr TS44452 [0,2,0,0,0,0|1,0,1]=4 2006 B11R1.23 c1cc(cc(c1)N)C(=O)NN TS10046 [0,2,0,0,0,0|1,0,1]=4 2007 B11R1.23 c1cc(cc(c1)O)C(=O)CBr TS44634 [0,2,0,0,0,0|1,0,1]=4 2008 B11R1.23 c1cc(cc(c1)O)C(=O)NN TS41112 [0,2,0,0,0,0|1,0,1]=4 2009 B11R1.23 c1cc(cc(c1)O)C(CN)O TS16253 [0,2,0,0,0,0|0,0,0]=2 2010 B11R1.23 c1cc(cc(c1)O)C(CN)O TS41280 [0,2,0,0,0,0|0,0,0]=2 2011 B11R1.24 CCCC[n+]1cccc(c1)C TS24837 [0,2,0,0,0,0|2,0,0]=4 2012 B11R1.24 CCNCc1cccc(c1)Br TS21623 [0,2,0,0,0,0|1,0,0]=3 2013 B11R1.24 CCNCc1cccc(c1)Cl TS45055 [0,2,0,0,0,0|1,0,0]=3 2014 B11R1.24 CCNCc1cccc(c1)F TS10327 [0,2,0,0,0,0|1,0,0]=3 2015 B11R1.24 CNCCc1cccc(c1)Cl TS12742 [0,2,0,0,0,0|0,0,0]=2 2016 B11R1.24 CNCCc1cccc(c1)F TS10334 [0,2,0,0,0,0|0,0,0]=2 2017 B11R1.24 Cc1cccc(c1)CCNC TS07599 [0,2,0,0,0,0|0,0,0]=2 2018 B11R1.24 Cc1cccc(c1)CN=C=O TS07334 [0,2,0,0,0,0|1,0,1]=4 2019 B11R1.24 Cc1cccc(c1)CN=C=S TS42618 [0,2,0,0,0,0|1,0,1]=4 2020 B11R1.24 Cc1cccc(c1)CN=[N+]=[N-] TS07356 [0,2,0,0,0,0|1,0,1]=4 2021 B11R1.24 Cc1cccc(c1)NCCO TS41037 [0,2,0,0,0,0|1,0,0]=3 2022 B11R1.24 Cc1cccc(c1)OCCBr TS21831 [0,2,0,0,0,0|1,0,0]=3 2023 B11R1.24 Cc1cccc(c1)OCCO TS41130 [0,2,0,0,0,0|1,0,0]=3 2024 B11R1.24 Cc1cccc(c1)SCCO TS44907 [0,2,0,0,0,0|1,0,0]=3 2025 B11R1.24 [C-]#[N+]CCc1cccc(c1)F TS07563 [0,2,0,0,0,0|0,0,1]=3 2026 B11R1.24 c1c(cncc1Br)OCCO TS49351 [0,2,0,0,0,0|2,0,0]=4 2027 B11R1.24 c1cc(cc(c1)Br)C#CCO TS21063 [0,2,0,0,0,0|1,0,1]=4 2028 B11R1.24 c1cc(cc(c1)Br)CCC#N TS20835 [0,2,0,0,0,0|0,0,1]=3 2029 B11R1.24 c1cc(cc(c1)Br)OCCBr TS54287 [0,2,0,0,0,0|1,0,0]=3 2030 B11R1.24 c1cc(cc(c1)Br)OCCF TS22534 [0,2,0,0,0,0|1,0,0]=3 2031 B11R1.24 c1cc(cc(c1)Cl)C#CCO TS12311 [0,2,0,0,0,0|1,0,1]=4 2032 B11R1.24 c1cc(cc(c1)Cl)CN=C=S TS15205 [0,2,0,0,0,0|1,0,1]=4 2033 B11R1.24 c1cc(cc(c1)Cl)OCC#N TS43269 [0,2,0,0,0,0|0,0,2]=4 2034 B11R1.24 c1cc(cc(c1)Cl)OCCBr TS25792 [0,2,0,0,0,0|1,0,0]=3 2035 B11R1.24 c1cc(cc(c1)Cl)OCCO TS45563 [0,2,0,0,0,0|1,0,0]=3 2036 B11R1.24 c1cc(cc(c1)F)CN=C=O TS40976 [0,2,0,0,0,0|1,0,1]=4 2037 B11R1.24 c1cc(cc(c1)F)CN=C=S TS12392 [0,2,0,0,0,0|1,0,1]=4 2038 B11R1.24 c1cc(cc(c1)O)CCCO TS41149 [0,2,0,0,0,0|1,0,0]=3 2039 B11R1.24 c1cc(cc(c1)OCCO)O TS10404 [0,2,0,0,0,0|1,0,0]=3 2040 B11R1.34 C=CCc1cc(cc(c1)Cl)F TS45246 [0,2,0,0,0,0|1,0,1]=4 2041 B11R1.34 C=CCc1cc(cc(c1)F)F TS10401 [0,2,0,0,0,0|1,0,1]=4 2042 B11R1.34 CCCc1cc(cc(=O)o1)O TS10418 [0,2,0,0,0,0|2,0,0]=4 2043 B11R1.34 CCNc1cc(cc(c1)Cl)Cl TS16293 [0,2,0,0,0,0|2,0,0]=4 2044 B11R1.34 CCOc1cc(cc(c1)Cl)F TS13592 [0,2,0,0,0,0|2,0,0]=4 2045 B11R1.34 Cc1cc(cc(c1)CC#N)C TS40328 [0,2,0,0,0,0|0,0,2]=4 2046 B11R1.34 c1c(cc(cc1Br)Br)CC#N TS02576 [0,2,0,0,0,0|0,0,2]=4 2047 B11R1.34 c1c(cc(cc1F)Cl)CC#N TS09357 [0,2,0,0,0,0|0,0,2]=4 2048 B11R1.34 c1c(cc(cc1F)F)CC#N TS02585 [0,2,0,0,0,0|0,0,2]=4 2049 B11R1.157 C=C(Cc1cccc(c1)F)Br TS21819 [0,2,0,0,0,0|1,0,1]=4 2050 B11R1.157 CC(=O)Cc1cccc(c1)Br TS21446 [0,2,0,0,0,0|1,0,1]=4 2051 B11R1.157 CC(=O)Cc1cccc(c1)Cl TS12621 [0,2,0,0,0,0|1,0,1]=4 2052 B11R1.157 CC(=O)Cc1cccc(c1)F TS10165 [0,2,0,0,0,0|1,0,1]=4 2053 B11R1.157 CC(=O)Cc1cccc(c1)O TS40855 [0,2,0,0,0,0|1,0,1]=4 2054 B11R1.157 CC(C)Nc1cccc(c1)F TS10329 [0,2,0,0,0,0|2,0,0]=4 2055 B11R1.157 CC(C)Oc1cccc(c1)Br TS46927 [0,2,0,0,0,0|2,0,0]=4 2056 B11R1.157 CC(C)Oc1cccc(c1)F TS41381 [0,2,0,0,0,0|2,0,0]=4 2057 B11R1.157 CC(C)Oc1cccc(c1)N TS10079 [0,2,0,0,0,0|2,0,0]=4 2058 B11R1.157 CN(C)Cc1cccc(c1)Br TS21619 [0,2,0,0,0,0|2,0,0]=4 2059 B11R1.157 CN(C)Cc1cccc(c1)N TS09938 [0,2,0,0,0,0|2,0,0]=4 2060 B11R1.157 Cc1cccc(c1)CC(=O)C TS40649 [0,2,0,0,0,0|1,0,1]=4 2061 B11R1.157 Cc1cccc(c1)CC(=O)Cl TS44949 [0,2,0,0,0,0|1,0,1]=4 2062 B11R1.157 Cc1cccc(c1)CC(=O)O TS40851 [0,2,0,0,0,0|1,0,1]=4 2063 B11R1.157 Cc1cccc(c1)NC(=O)N TS09889 [0,2,0,0,0,0|1,0,1]=4 2064 B11R1.157 Cc1cccc(c1)NC(=S)N TS12287 [0,2,0,0,0,0|1,0,1]=4 2065 B11R1.157 Cc1cccc(c1)NC(C)C TS40773 [0,2,0,0,0,0|2,0,0]=4 2066 B11R1.157 c1cc(cc(c1)Br)CC(=O)O TS65959 [0,2,0,0,0,0|1,0,1]=4 2067 B11R1.157 c1cc(cc(c1)Br)NC(=S)N TS25027 [0,2,0,0,0,0|1,0,1]=4 2068 B11R1.157 c1cc(cc(c1)Br)OC(F)F TS46432 [0,2,0,0,0,0|2,0,0]=4 2069 B11R1.157 c1cc(cc(c1)Cl)CC(=O)Cl TS50846 [0,2,0,0,0,0|1,0,1]=4 2070 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O TS02722 [0,2,0,0,0,0|1,0,1]=4 2071 B11R1.157 c1cc(cc(c1)Cl)NC(=O)N TS45238 [0,2,0,0,0,0|1,0,1]=4 2072 B11R1.157 c1cc(cc(c1)Cl)NC(=S)N TS15737 [0,2,0,0,0,0|1,0,1]=4 2073 B11R1.157 c1cc(cc(c1)F)CC(=O)Cl TS13264 [0,2,0,0,0,0|1,0,1]=4 2074 B11R1.157 c1cc(cc(c1)F)CC(=O)O TS01567 [0,2,0,0,0,0|1,0,1]=4 2075 B11R1.157 c1cc(cc(c1)F)NC(=S)N TS12813 [0,2,0,0,0,0|1,0,1]=4 2076 B11R1.157 c1cc(cc(c1)I)CC(=O)O TS70632 [0,2,0,0,0,0|1,0,1]=4 2077 B11R1.157 c1cc(cc(c1)N)CC(=O)O TS65876 [0,2,0,0,0,0|1,0,1]=4 2078 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS10043 [0,2,0,0,0,0|1,0,1]=4 2079 B11R1.157 c1cc(cc(c1)NC(=O)N)N TS50627 [0,2,0,0,0,0|1,0,1]=4 2080 B11R1.157 c1cc(cc(c1)O)CC(=O)O TS02792 [0,2,0,0,0,0|1,0,1]=4 2081 B11R1.157 c1cc(cc(c1)O)NC(=S)N TS44894 [0,2,0,0,0,0|1,0,1]=4 2082 B11R1.157 c1cc(cc(c1)OC(F)F)N TS59588 [0,2,0,0,0,0|2,0,0]=4 2083 B11R1.157 c1cc(cc(c1)OC(F)F)O TS42115 [0,2,0,0,0,0|2,0,0]=4 2084 B11R1.157 c1cc(cc(c1)SC(F)F)N TS13692 [0,2,0,0,0,0|2,0,0]=4 2085 B11R1.189 CCCc1cccc(c1)NN TS15741 [0,2,0,0,0,0|1,0,0]=3 2086 B11R1.189 CCOc1cccc(c1)C=O TS09862 [0,2,0,0,0,0|2,0,0]=4 2087 B11R1.189 CCOc1cccc(c1)CO TS41134 [0,2,0,0,0,0|2,0,0]=4 2088 B11R1.189 CCSc1cccc(c1)CN TS43261 [0,2,0,0,0,0|2,0,0]=4 2089 B11R1.189 CNCc1cccc(c1)C#N TS40441 [0,2,0,0,0,0|2,0,0]=4 2090 B11R1.189 CNCc1cccc(c1)OC TS41039 [0,2,0,0,0,0|2,0,0]=4 2091 B11R1.189 COc1cccc(c1)CCN TS02822 [0,2,0,0,0,0|0,0,0]=2 2092 B11R1.189 COc1cccc(c1)CCO TS41136 [0,2,0,0,0,0|1,0,0]=3 2093 B11R1.189 COc1cccc(c1)CNN TS88044 [0,2,0,0,0,0|1,0,0]=3 2094 B11R1.189 COc1cccc(c1)CO[NH3+] TS16252 [0,2,0,0,0,0|1,0,1]=4 2095 B11R1.189 c1cc(cc(c1)C#N)CC#N TS37570 [0,2,0,0,0,0|0,0,2]=4 2096 B11R1.189 c1cc(cc(c1)CO)CC#N TS07329 [0,2,0,0,0,0|0,0,2]=4 2097 B11R1.189 c1cc(cc(c1)CO)CCN TS41046 [0,2,0,0,0,0|0,0,0]=2 2098 B11R1.7 CC(C#C)(c1ccccc1)O TS07226 [0,2,0,0,0,0|1,0,1]=4 2099 B11R1.7 CC(C)(C#N)c1ccccc1 TS07124 [0,2,0,0,0,0|0,0,2]=4 2100 B11R1.7 CC(C)(CCl)c1ccccc1 TS12631 [0,2,0,0,0,0|1,0,0]=3 2101 B11R1.7 CC(CN)(c1ccccc1)O TS10067 [0,2,0,0,0,0|0,0,0]=2 2102 B11R1.7 CC(CO)(c1ccccc1)O TS10181 [0,2,0,0,0,0|1,0,0]=3 2103 B11R1.7 CCC(C)(C)c1ccccc1 TS07501 [0,2,0,0,0,0|1,0,0]=3 2104 B11R1.7 CCC(C)(c1ccccc1)O TS09915 [0,2,0,0,0,0|1,0,0]=3 2105 B11R1.7 CCS(=O)(=O)c1ccccc1 TS12825 [0,2,0,0,0,0|2,0,0]=4 2106 B11R1.7 CC[Si](c1ccccc1)(Cl)Cl TS19932 [0,2,0,0,0,0|1,1,0]=4 2107 B11R1.7 C[Si](C)(CCl)c1ccccc1 TS15403 [0,2,0,0,0,0|1,1,0]=4 2108 B11R1.7 c1ccc(cc1)C(CBr)(F)F TS23230 [0,2,0,0,0,0|1,0,0]=3 2109 B11R1.7 c1ccc(cc1)P(=O)(CO)O TS45409 [0,2,0,0,0,0|2,0,0]=4 2110 B11R1.7 c1ccc(cc1)S(=O)(=O)CBr TS56616 [0,2,0,0,0,0|2,0,0]=4 2111 B11R1.7 c1ccc(cc1)S(=O)(=O)CCl TS51203 [0,2,0,0,0,0|2,0,0]=4 2112 B11R1.7 c1ccc(cc1)S(=O)(=O)CF TS13474 [0,2,0,0,0,0|2,0,0]=4 2113 B11R1.7 c1ccc(cc1)S(=O)(=O)NN TS45466 [0,2,0,0,0,0|2,0,0]=4 2114 B11R1.7 c1ccnc(c1)C(CN)(F)F TS91188 [0,2,0,0,0,0|1,0,0]=3 2115 B11R1.7 c1ccnc(c1)C(CO)(F)F TS90379 [0,2,0,0,0,0|2,0,0]=4 2116 B11R1.12 CCC(=CC)c1ccccc1 TS40463 [0,2,0,0,0,0|1,0,1]=4 2117 B11R1.12 CCC(C#N)c1ccccc1 TS07127 [0,2,0,0,0,0|1,0,0]=3 2118 B11R1.12 CCC(C#N)c1ccccn1 TS40446 [0,2,0,0,0,0|2,0,0]=4 2119 B11R1.12 CCC(C=C)c1ccccc1 TS40461 [0,2,0,0,0,0|1,0,0]=3 2120 B11R1.12 CCC(CC)c1ccccc1 TS07502 [0,2,0,0,0,0|1,0,0]=3 2121 B11R1.12 CCC(CC)c1ccccn1 TS40770 [0,2,0,0,0,0|2,0,0]=4 2122 B11R1.12 CCC(CC)c1ccncc1 TS07595 [0,2,0,0,0,0|2,0,0]=4 2123 B11R1.12 CCN(CC)c1ccccc1 TS07596 [0,2,0,0,0,0|2,0,0]=4 2124 B11R1.12 CCN(CC)c1ccccc1 TS11655 [0,2,0,0,0,0|2,0,0]=4 2125 B11R1.12 CCN(CC)c1ccccc1 TS15545 [0,2,0,0,0,0|2,0,0]=4 2126 B11R1.12 CCN(c1ccccc1)N=O TS09879 [0,2,0,0,0,0|2,0,0]=4 2127 B11R1.12 CCP(CC)c1ccccc1 TS43095 [0,2,0,0,0,0|2,0,0]=4 2128 B11R1.12 COC(c1ccccc1)OC TS33210 [0,2,0,0,0,0|2,0,0]=4 2129 B11R1.12 CO[C@@H](CO)c1ccccc1 TS41139 [0,2,0,0,0,0|1,0,0]=3 2130 B11R1.12 CO[C@H](CO)c1ccccc1 TS10190 [0,2,0,0,0,0|1,0,0]=3 2131 B11R1.12 c1ccc(cc1)C(=NO)CBr TS44450 [0,2,0,0,0,0|1,0,1]=4 2132 B11R1.12 c1ccc(cc1)C(C#N)C#N TS59556 [0,2,0,0,0,0|0,0,2]=4 2133 B11R1.12 c1ccc(cc1)C(CO)CO TS39683 [0,2,0,0,0,0|1,0,0]=3 2134 B11R1.12 c1ccnc(c1)C(CO)CO TS41268 [0,2,0,0,0,0|2,0,0]=4 2135 B11R1.16 C#CCC(c1ccccc1)O TS07216 [0,2,0,0,0,0|1,0,0]=3 2136 B11R1.16 C=CCC(c1ccccc1)O TS07476 [0,2,0,0,0,0|1,0,0]=3 2137 B11R1.16 C=CCS(=O)c1ccccc1 TS12278 [0,2,0,0,0,0|1,0,1]=4 2138 B11R1.16 CC(=CCO)c1ccccc1 TS07480 [0,2,0,0,0,0|1,0,1]=4 2139 B11R1.16 CC(CC=O)c1ccccc1 TS40655 [0,2,0,0,0,0|1,0,0]=3 2140 B11R1.16 CC(CCO)c1ccccc1 TS40913 [0,2,0,0,0,0|1,0,0]=3 2141 B11R1.16 CC(CNC)c1ccccc1 TS15544 [0,2,0,0,0,0|0,0,0]=2 2142 B11R1.16 CC(c1ccccc1)N=C=S TS11739 [0,2,0,0,0,0|1,0,1]=4 2143 B11R1.16 CC(c1ccccc1)N=C=S TS42624 [0,2,0,0,0,0|1,0,1]=4 2144 B11R1.16 CC(c1ccccc1)NC=O TS40754 [0,2,0,0,0,0|1,0,1]=4 2145 B11R1.16 CC=CC(c1ccccc1)O TS07464 [0,2,0,0,0,0|1,0,1]=4 2146 B11R1.16 CCC=C(C)c1ccccc1 TS07266 [0,2,0,0,0,0|1,0,1]=4 2147 B11R1.16 CCCC(=C)c1ccccc1 TS40460 [0,2,0,0,0,0|1,0,0]=3 2148 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [0,2,0,0,0,0|1,0,0]=3 2149 B11R1.16 CCCC(=O)c1ccccn1 TS07574 [0,2,0,0,0,0|2,0,0]=4 2150 B11R1.16 CCCC(C)c1ccccc1 TS40687 [0,2,0,0,0,0|1,0,0]=3 2151 B11R1.16 CCCC(c1ccccc1)N TS08991 [0,2,0,0,0,0|1,0,0]=3 2152 B11R1.16 CCCC(c1ccccc1)O TS40897 [0,2,0,0,0,0|1,0,0]=3 2153 B11R1.16 CCC[C@@H](c1ccccc1)N TS07598 [0,2,0,0,0,0|1,0,0]=3 2154 B11R1.16 CCC[C@@H](c1ccccc1)O TS40898 [0,2,0,0,0,0|1,0,0]=3 2155 B11R1.16 CCC[C@H](c1ccccc1)N TS07603 [0,2,0,0,0,0|1,0,0]=3 2156 B11R1.16 CCC[C@H](c1ccccc1)O TS40914 [0,2,0,0,0,0|1,0,0]=3 2157 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [0,2,0,0,0,0|1,0,1]=4 2158 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [0,2,0,0,0,0|1,0,1]=4 2159 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [0,2,0,0,0,0|1,0,1]=4 2160 B11R1.16 CN(CC=C)c1ccccc1 TS40564 [0,2,0,0,0,0|1,0,1]=4 2161 B11R1.16 CN(CCO)c1ccccc1 TS41045 [0,2,0,0,0,0|1,0,0]=3 2162 B11R1.16 CN(CCO)c1ccccn1 TS41163 [0,2,0,0,0,0|2,0,0]=4 2163 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [0,2,0,0,0,0|0,0,1]=3 2164 B11R1.16 CNCC(c1ccccc1)O TS41049 [0,2,0,0,0,0|0,0,0]=2 2165 B11R1.16 COCC(=O)c1ccccc1 TS09863 [0,2,0,0,0,0|1,0,1]=4 2166 B11R1.16 COC[C@@H](c1ccccc1)N TS41043 [0,2,0,0,0,0|1,0,0]=3 2167 B11R1.16 COC[C@H](c1ccccc1)N TS10083 [0,2,0,0,0,0|1,0,0]=3 2168 B11R1.16 C[C@@H](c1ccccc1)N=C=O TS40526 [0,2,0,0,0,0|1,0,1]=4 2169 B11R1.16 C[C@H](c1ccccc1)N=C=O TS40534 [0,2,0,0,0,0|1,0,1]=4 2170 B11R1.16 c1ccc(cc1)C(=O)CC#N TS39724 [0,2,0,0,0,0|0,0,2]=4 2171 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [0,2,0,0,0,0|1,0,0]=3 2172 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [0,2,0,0,0,0|1,0,1]=4 2173 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [0,2,0,0,0,0|1,0,1]=4 2174 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [0,2,0,0,0,0|1,0,1]=4 2175 B11R1.16 c1ccc(cc1)C(CC#N)O TS07335 [0,2,0,0,0,0|0,0,1]=3 2176 B11R1.16 c1ccc(cc1)C(CCN)O TS41050 [0,2,0,0,0,0|0,0,0]=2 2177 B11R1.16 c1ccc(cc1)C(CCN)O TS50639 [0,2,0,0,0,0|0,0,0]=2 2178 B11R1.16 c1ccc(cc1)C(CCO)N TS65845 [0,2,0,0,0,0|1,0,0]=3 2179 B11R1.16 c1ccc(cc1)S(=O)CCCl TS16096 [0,2,0,0,0,0|1,0,0]=3 2180 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O TS46584 [0,2,0,0,0,0|1,0,0]=3 2181 B11R1.16 c1ccc(cc1)[C@@H](CCN)O TS10084 [0,2,0,0,0,0|0,0,0]=2 2182 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS15881 [0,2,0,0,0,0|1,0,0]=3 2183 B11R1.16 c1ccc(cc1)[C@@H](CCO)N TS46603 [0,2,0,0,0,0|1,0,0]=3 2184 B11R1.16 c1ccc(cc1)[C@@H](CCO)O TS10187 [0,2,0,0,0,0|1,0,0]=3 2185 B11R1.16 c1ccc(cc1)[C@H](CCCl)O TS46624 [0,2,0,0,0,0|1,0,0]=3 2186 B11R1.16 c1ccc(cc1)[C@H](CCN)O TS10069 [0,2,0,0,0,0|0,0,0]=2 2187 B11R1.16 c1ccc(cc1)[C@H](CCO)N TS46656 [0,2,0,0,0,0|1,0,0]=3 2188 B11R1.16 c1ccc(cc1)[C@H](CCO)O TS41135 [0,2,0,0,0,0|1,0,0]=3 2189 B11R1.36 CC(=C)C(c1ccccc1)O TS07470 [0,2,0,0,0,0|1,0,1]=4 2190 B11R1.36 CC(=O)C(c1ccccc1)Br TS60203 [0,2,0,0,0,0|1,0,1]=4 2191 B11R1.36 CC(=O)C(c1ccccc1)N TS46844 [0,2,0,0,0,0|1,0,1]=4 2192 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [0,2,0,0,0,0|1,0,1]=4 2193 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [0,2,0,0,0,0|1,0,1]=4 2194 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,2,0,0,0,0|1,0,1]=4 2195 B11R1.36 CC(C)C(C)c1ccccc1 TS40688 [0,2,0,0,0,0|1,0,0]=3 2196 B11R1.36 CC(C)C(c1ccccc1)N TS40783 [0,2,0,0,0,0|1,0,0]=3 2197 B11R1.36 CC(C)C(c1ccccc1)O TS40912 [0,2,0,0,0,0|1,0,0]=3 2198 B11R1.36 CC(C)[C@@H](c1ccccc1)O TS09919 [0,2,0,0,0,0|1,0,0]=3 2199 B11R1.36 CC(C)[C@H](c1ccccc1)O TS09912 [0,2,0,0,0,0|1,0,0]=3 2200 B11R1.36 CC(c1ccccc1)C(=O)O TS65642 [0,2,0,0,0,0|1,0,1]=4 2201 B11R1.36 CC(c1ccccc1)N(C)C TS07606 [0,2,0,0,0,0|2,0,0]=4 2202 B11R1.36 CN(c1ccccc1)C(=S)N TS12282 [0,2,0,0,0,0|1,0,1]=4 2203 B11R1.36 C[C@@H](c1ccccc1)C(=O)O TS22970 [0,2,0,0,0,0|1,0,1]=4 2204 B11R1.36 C[C@@H](c1ccccc1)N(C)C TS07604 [0,2,0,0,0,0|2,0,0]=4 2205 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS10078 [0,2,0,0,0,0|0,0,0]=2 2206 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50636 [0,2,0,0,0,0|0,0,0]=2 2207 B11R1.36 C[C@H]([C@H](c1ccccc1)O)N TS50640 [0,2,0,0,0,0|0,0,0]=2 2208 B11R1.36 C[C@H](c1ccccc1)C(=O)O TS22963 [0,2,0,0,0,0|1,0,1]=4 2209 B11R1.36 C[C@H](c1ccccc1)N(C)C TS40779 [0,2,0,0,0,0|2,0,0]=4 2210 B11R1.36 c1ccc(cc1)C(=O)C(Cl)Cl TS50848 [0,2,0,0,0,0|1,0,1]=4 2211 B11R1.36 c1ccc(cc1)C(=O)C(F)F TS10655 [0,2,0,0,0,0|1,0,1]=4 2212 B11R1.36 c1ccc(cc1)C(C(=O)Cl)Cl TS50847 [0,2,0,0,0,0|1,0,1]=4 2213 B11R1.36 c1ccc(cc1)C(C(=O)N)N TS32776 [0,2,0,0,0,0|0,0,1]=3 2214 B11R1.36 c1ccc(cc1)C(C(=O)N)O TS10014 [0,2,0,0,0,0|0,0,1]=3 2215 B11R1.36 c1ccc(cc1)C(C(=O)O)Br TS40041 [0,2,0,0,0,0|1,0,1]=4 2216 B11R1.36 c1ccc(cc1)C(C(=O)O)Cl TS12921 [0,2,0,0,0,0|1,0,1]=4 2217 B11R1.36 c1ccc(cc1)C(C(=O)O)F TS41345 [0,2,0,0,0,0|1,0,1]=4 2218 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10137 [0,2,0,0,0,0|1,0,1]=4 2219 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS10144 [0,2,0,0,0,0|1,0,1]=4 2220 B11R1.36 c1ccc(cc1)C(C(=O)O)O TS35517 [0,2,0,0,0,0|1,0,1]=4 2221 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)Br TS44638 [0,2,0,0,0,0|1,0,1]=4 2222 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N TS01533 [0,2,0,0,0,0|1,0,1]=4 2223 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O TS46637 [0,2,0,0,0,0|1,0,1]=4 2224 B11R1.36 c1ccc(cc1)[C@H](C(=O)Cl)N TS20096 [0,2,0,0,0,0|1,0,1]=4 2225 B11R1.36 c1ccc(cc1)[C@H](C(=O)N)N TS01409 [0,2,0,0,0,0|0,0,1]=3 2226 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N TS33222 [0,2,0,0,0,0|1,0,1]=4 2227 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O TS93945 [0,2,0,0,0,0|1,0,1]=4 2228 B11R1.28 C#CCC#Cc1ccccc1 TS06477 [0,2,0,0,0,0|1,0,1]=4 2229 B11R1.28 C#CCCCc1ccccc1 TS07011 [0,2,0,0,0,0|1,0,0]=3 2230 B11R1.28 C#CCN=Cc1ccccc1 TS06872 [0,2,0,0,0,0|1,0,1]=4 2231 B11R1.28 C#CCOCc1ccccc1 TS07224 [0,2,0,0,0,0|1,0,0]=3 2232 B11R1.28 C=CCOCc1ccccc1 TS07459 [0,2,0,0,0,0|1,0,0]=3 2233 B11R1.28 CC=CCCc1ccncc1 TS07375 [0,2,0,0,0,0|2,0,0]=4 2234 B11R1.28 CCCC#Cc1ccccc1 TS07004 [0,2,0,0,0,0|1,0,0]=3 2235 B11R1.28 CCCC=Cc1ccccc1 TS07261 [0,2,0,0,0,0|1,0,0]=3 2236 B11R1.28 CCCCCc1ccccc1 TS07508 [0,2,0,0,0,0|1,0,0]=3 2237 B11R1.28 CCCCCc1ccccn1 TS07608 [0,2,0,0,0,0|2,0,0]=4 2238 B11R1.28 CCCCNc1ccccc1 TS07616 [0,2,0,0,0,0|1,0,0]=3 2239 B11R1.28 CCCCOc1ccccc1 TS40903 [0,2,0,0,0,0|1,0,0]=3 2240 B11R1.28 CCCCOc1ccccn1 TS41040 [0,2,0,0,0,0|2,0,0]=4 2241 B11R1.28 CCCNCc1ccccc1 TS40768 [0,2,0,0,0,0|1,0,0]=3 2242 B11R1.28 CCOC=Nc1ccccc1 TS07575 [0,2,0,0,0,0|1,0,1]=4 2243 B11R1.28 CCOCCc1ccccn1 TS41030 [0,2,0,0,0,0|2,0,0]=4 2244 B11R1.28 CNCCCc1ccccc1 TS07594 [0,2,0,0,0,0|0,0,0]=2 2245 B11R1.28 CNCCOc1ccccc1 TS50641 [0,2,0,0,0,0|0,0,0]=2 2246 B11R1.28 [C-]#[N+]CCCc1ccccc1 TS07119 [0,2,0,0,0,0|0,0,1]=3 2247 B11R1.28 c1ccc(cc1)CCCCBr TS08029 [0,2,0,0,0,0|1,0,0]=3 2248 B11R1.28 c1ccc(cc1)CCCCN TS40769 [0,2,0,0,0,0|0,0,0]=2 2249 B11R1.28 c1ccc(cc1)CCCCO TS09769 [0,2,0,0,0,0|1,0,0]=3 2250 B11R1.28 c1ccc(cc1)CCN=C=O TS07337 [0,2,0,0,0,0|0,0,1]=3 2251 B11R1.28 c1ccc(cc1)CCN=C=S TS11737 [0,2,0,0,0,0|0,0,1]=3 2252 B11R1.28 c1ccc(cc1)CCOC=O TS40845 [0,2,0,0,0,0|1,0,0]=3 2253 B11R1.28 c1ccc(cc1)CNCCCl TS38930 [0,2,0,0,0,0|1,0,0]=3 2254 B11R1.28 c1ccc(cc1)CNCCN TS09934 [0,2,0,0,0,0|0,0,0]=2 2255 B11R1.28 c1ccc(cc1)COCC=O TS40846 [0,2,0,0,0,0|1,0,0]=3 2256 B11R1.28 c1ccc(cc1)COCCBr TS01375 [0,2,0,0,0,0|1,0,0]=3 2257 B11R1.28 c1ccc(cc1)COCCCl TS45252 [0,2,0,0,0,0|1,0,0]=3 2258 B11R1.28 c1ccc(cc1)COCCN TS50637 [0,2,0,0,0,0|0,0,0]=2 2259 B11R1.28 c1ccc(cc1)COCCO TS59944 [0,2,0,0,0,0|1,0,0]=3 2260 B11R1.28 c1ccc(cc1)COCON TS41272 [0,2,0,0,0,0|0,0,0]=2 2261 B11R1.28 c1ccc(cc1)CSCCCl TS15745 [0,2,0,0,0,0|1,0,0]=3 2262 B11R1.28 c1ccc(cc1)CSCCN TS19660 [0,2,0,0,0,0|0,0,0]=2 2263 B11R1.28 c1ccc(cc1)CSCCO TS44906 [0,2,0,0,0,0|1,0,0]=3 2264 B11R1.28 c1ccc(cc1)NCCC#N TS40450 [0,2,0,0,0,0|0,0,1]=3 2265 B11R1.28 c1ccc(cc1)NCCCN TS09931 [0,2,0,0,0,0|0,0,0]=2 2266 B11R1.28 c1ccc(cc1)OCCC#N TS40518 [0,2,0,0,0,0|0,0,1]=3 2267 B11R1.28 c1ccc(cc1)OCCCBr TS21836 [0,2,0,0,0,0|1,0,0]=3 2268 B11R1.28 c1ccc(cc1)OCCCO TS41131 [0,2,0,0,0,0|1,0,0]=3 2269 B11R1.28 c1ccc(cc1)OCCO[NH3+] TS16257 [0,2,0,0,0,0|0,0,1]=3 2270 B11R1.28 c1ccc(cc1)SCCCCl TS15746 [0,2,0,0,0,0|1,0,0]=3 2271 B11R1.28 c1ccc(cc1)SCCCN TS19659 [0,2,0,0,0,0|0,0,0]=2 2272 B11R1.28 c1ccc(cc1)SCN=[N+]=[N-] TS42931 [0,2,0,0,0,0|1,0,1]=4 2273 B11R1.28 c1cnccc1CCCCCl TS38931 [0,2,0,0,0,0|2,0,0]=4 2274 B11R1.28 c1cnccc1CSCCO TS12707 [0,2,0,0,0,0|2,0,0]=4 2275 B11R1.40 CC(=Cc1ccccc1)CO TS40644 [0,2,0,0,0,0|1,0,1]=4 2276 B11R1.40 CC(=NO)Cc1ccccc1 TS40745 [0,2,0,0,0,0|0,0,2]=4 2277 B11R1.40 CC(CO)Oc1ccccc1 TS41133 [0,2,0,0,0,0|1,0,0]=3 2278 B11R1.40 CC(Cc1ccccc1)C=O TS07461 [0,2,0,0,0,0|1,0,0]=3 2279 B11R1.40 CC(Cc1ccccc1)NC TS07600 [0,2,0,0,0,0|0,0,0]=2 2280 B11R1.40 CCC(=Cc1ccccc1)C TS07268 [0,2,0,0,0,0|1,0,1]=4 2281 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,2,0,0,0,0|1,0,0]=3 2282 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,2,0,0,0,0|1,0,1]=4 2283 B11R1.40 CCC(C)Cc1ccccc1 TS40686 [0,2,0,0,0,0|1,0,0]=3 2284 B11R1.40 CCC(Cc1ccccc1)O TS00513 [0,2,0,0,0,0|1,0,0]=3 2285 B11R1.40 CN(Cc1ccccc1)N=O TS09887 [0,2,0,0,0,0|1,0,1]=4 2286 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,2,0,0,0,0|1,0,1]=4 2287 B11R1.40 CNC(=S)Nc1ccccc1 TS12286 [0,2,0,0,0,0|1,0,1]=4 2288 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,2,0,0,0,0|1,0,1]=4 2289 B11R1.40 C[C@@H](Cc1ccccc1)NC TS40789 [0,2,0,0,0,0|0,0,0]=2 2290 B11R1.40 C[C@H](Cc1ccccc1)NC TS40784 [0,2,0,0,0,0|0,0,0]=2 2291 B11R1.40 c1cc(cnc1)CC(=O)NN TS10044 [0,2,0,0,0,0|1,0,1]=4 2292 B11R1.40 c1cc[n+](cc1)CC(=O)NN TS50625 [0,2,0,0,0,0|1,0,1]=4 2293 B11R1.40 c1ccc(cc1)CC(=O)CCl TS44955 [0,2,0,0,0,0|1,0,0]=3 2294 B11R1.40 c1ccc(cc1)CC(=O)NN TS09901 [0,2,0,0,0,0|0,0,1]=3 2295 B11R1.40 c1ccc(cc1)CC(=O)NO TS10040 [0,2,0,0,0,0|0,0,1]=3 2296 B11R1.40 c1ccc(cc1)CC(C#N)Cl TS12109 [0,2,0,0,0,0|0,0,1]=3 2297 B11R1.40 c1ccc(cc1)C[C@H](CN)N TS09945 [0,2,0,0,0,0|0,0,0]=2 2298 B11R1.40 c1ccc(cc1)C[C@H](CO)N TS07919 [0,2,0,0,0,0|0,0,0]=2 2299 B11R1.40 c1ccc(cc1)NC(=O)CCl TS12724 [0,2,0,0,0,0|1,0,1]=4 2300 B11R1.40 c1ccc(cc1)NC(=O)CS TS12417 [0,2,0,0,0,0|1,0,1]=4 2301 B11R1.40 c1ccc(cc1)NC(=O)NN TS41023 [0,2,0,0,0,0|1,0,1]=4 2302 B11R1.40 c1ccc(cc1)NC(=O)NN TS50626 [0,2,0,0,0,0|1,0,1]=4 2303 B11R1.40 c1ccc(cc1)NC(=S)NN TS12418 [0,2,0,0,0,0|1,0,1]=4 2304 B11R1.40 c1ccc(cc1)OC(=O)CBr TS44644 [0,2,0,0,0,0|1,0,1]=4 2305 B11R1.40 c1ccc(cc1)OC(=O)CCl TS12932 [0,2,0,0,0,0|1,0,1]=4 2306 B11R1.91 B(CCc1ccccc1)(O)O TS01640 [0,2,0,0,0,0|1,0,0]=3 2307 B11R1.91 CC(=C)COc1ccccc1 TS07455 [0,2,0,0,0,0|1,0,1]=4 2308 B11R1.91 CC(=C)CSc1ccccc1 TS42809 [0,2,0,0,0,0|1,0,1]=4 2309 B11R1.91 CC(=C)OCc1ccccc1 TS40657 [0,2,0,0,0,0|1,0,1]=4 2310 B11R1.91 CC(=O)CCc1ccccc1 TS40645 [0,2,0,0,0,0|1,0,0]=3 2311 B11R1.91 CC(=O)COc1ccccc1 TS40853 [0,2,0,0,0,0|1,0,1]=4 2312 B11R1.91 CC(=O)CSc1ccccc1 TS12279 [0,2,0,0,0,0|1,0,1]=4 2313 B11R1.91 CC(=O)NCc1ccccc1 TS07571 [0,2,0,0,0,0|1,0,1]=4 2314 B11R1.91 CC(=O)OCc1ccccc1 TS09872 [0,2,0,0,0,0|1,0,1]=4 2315 B11R1.91 CC(C#Cc1ccccc1)O TS07215 [0,2,0,0,0,0|1,0,1]=4 2316 B11R1.91 CC(C)CCc1ccccc1 TS40689 [0,2,0,0,0,0|1,0,0]=3 2317 B11R1.91 CC(C)N=Cc1ccccc1 TS40563 [0,2,0,0,0,0|1,0,1]=4 2318 B11R1.91 CC(C)NCc1ccccc1 TS33065 [0,2,0,0,0,0|1,0,0]=3 2319 B11R1.91 CC(CCc1ccccc1)N TS40782 [0,2,0,0,0,0|0,0,0]=2 2320 B11R1.91 CC(CCc1ccccc1)O TS09764 [0,2,0,0,0,0|1,0,0]=3 2321 B11R1.91 CC(COc1ccccc1)Cl TS45253 [0,2,0,0,0,0|1,0,0]=3 2322 B11R1.91 CC(COc1ccccc1)N TS41032 [0,2,0,0,0,0|0,0,0]=2 2323 B11R1.91 CN(C)C=Nc1ccccc1 TS40682 [0,2,0,0,0,0|1,0,1]=4 2324 B11R1.91 CN(C)CCc1ccccc1 TS01931 [0,2,0,0,0,0|0,0,0]=2 2325 B11R1.91 CN(C)CCc1ccccn1 TS09949 [0,2,0,0,0,0|1,0,0]=3 2326 B11R1.91 CN(C)CCc1ccncc1 TS09942 [0,2,0,0,0,0|1,0,0]=3 2327 B11R1.91 CN(C)N=Cc1ccccc1 TS40662 [0,2,0,0,0,0|1,0,1]=4 2328 B11R1.91 C[C@@H](CCc1ccccc1)N TS40777 [0,2,0,0,0,0|0,0,0]=2 2329 B11R1.91 C[C@H](CCc1ccccc1)N TS22961 [0,2,0,0,0,0|0,0,0]=2 2330 B11R1.91 C[SiH](C)CCc1ccccc1 TS42818 [0,2,0,0,0,0|1,0,0]=3 2331 B11R1.91 c1cc(cnc1)CCC(=O)O TS09416 [0,2,0,0,0,0|2,0,0]=4 2332 B11R1.91 c1ccc(cc1)C=CC(=O)N TS55818 [0,2,0,0,0,0|0,0,2]=4 2333 B11R1.91 c1ccc(cc1)CCC(=O)Cl TS02876 [0,2,0,0,0,0|1,0,0]=3 2334 B11R1.91 c1ccc(cc1)CCC(=O)N TS40758 [0,2,0,0,0,0|0,0,0]=2 2335 B11R1.91 c1ccc(cc1)CCC(=O)O TS33063 [0,2,0,0,0,0|1,0,0]=3 2336 B11R1.91 c1ccc(cc1)CCN(=O)=O TS10013 [0,2,0,0,0,0|0,0,1]=3 2337 B11R1.91 c1ccc(cc1)CNC(=N)N TS80918 [0,2,0,0,0,0|0,0,1]=3 2338 B11R1.91 c1ccc(cc1)CNC(=O)N TS40871 [0,2,0,0,0,0|0,0,1]=3 2339 B11R1.91 c1ccc(cc1)CNC(=S)N TS12281 [0,2,0,0,0,0|0,0,1]=3 2340 B11R1.91 c1ccc(cc1)COC(=O)Cl TS01383 [0,2,0,0,0,0|1,0,1]=4 2341 B11R1.91 c1ccc(cc1)COC(=O)N TS01381 [0,2,0,0,0,0|0,0,1]=3 2342 B11R1.91 c1ccc(cc1)COP(Cl)Cl TS43583 [0,2,0,0,0,0|1,1,0]=4 2343 B11R1.91 c1ccc(cc1)CSC(=N)N TS19496 [0,2,0,0,0,0|0,0,1]=3 2344 B11R1.91 c1ccc(cc1)NCC(=O)O TS10023 [0,2,0,0,0,0|1,0,1]=4 2345 B11R1.91 c1ccc(cc1)NCC(=O)[O-] TS50941 [0,2,0,0,0,0|1,0,1]=4 2346 B11R1.91 c1ccc(cc1)NNC(=O)N TS41021 [0,2,0,0,0,0|1,0,1]=4 2347 B11R1.91 c1ccc(cc1)NNC(=S)N TS12419 [0,2,0,0,0,0|1,0,1]=4 2348 B11R1.91 c1ccc(cc1)OCC(=N)N TS15733 [0,2,0,0,0,0|0,0,1]=3 2349 B11R1.91 c1ccc(cc1)OCC(=O)Cl TS12910 [0,2,0,0,0,0|1,0,1]=4 2350 B11R1.91 c1ccc(cc1)OCC(=O)N TS40989 [0,2,0,0,0,0|0,0,1]=3 2351 B11R1.91 c1ccc(cc1)OCC(=O)O TS10139 [0,2,0,0,0,0|1,0,1]=4 2352 B11R1.91 c1ccc(cc1)OCC(=O)O TS32941 [0,2,0,0,0,0|1,0,1]=4 2353 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS13444 [0,2,0,0,0,0|1,0,1]=4 2354 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS51409 [0,2,0,0,0,0|1,0,1]=4 2355 B11R1.91 c1ccc(cc1)OCC(=O)[O-] TS63445 [0,2,0,0,0,0|1,0,1]=4 2356 B11R1.91 c1ccc(cc1)OCC(=S)N TS12410 [0,2,0,0,0,0|0,0,1]=3 2357 B11R1.91 c1ccc(cc1)SCC(=N)N TS19495 [0,2,0,0,0,0|0,0,1]=3 2358 B11R1.91 c1ccc(cc1)SCC(=S)N TS15170 [0,2,0,0,0,0|0,0,1]=3 2359 B11R1.91 c1ccnc(c1)CCC(=O)O TS40994 [0,2,0,0,0,0|2,0,0]=4 2360 B11R1.509 CC(C)(C)Cc1ccccc1 TS40684 [0,2,0,0,0,0|1,0,0]=3 2361 B11R1.509 CC(C)(C)Oc1ccccc1 TS40911 [0,2,0,0,0,0|2,0,0]=4 2362 B11R1.509 CC(C)(C)Pc1ccccc1 TS43094 [0,2,0,0,0,0|2,0,0]=4 2363 B11R1.509 CC(C)(C)Pc1ccccc1 TS47823 [0,2,0,0,0,0|2,0,0]=4 2364 B11R1.509 CC(C)(Cc1ccccc1)O TS40900 [0,2,0,0,0,0|1,0,0]=3 2365 B11R1.509 CS(=O)(=O)Cc1ccccc1 TS12822 [0,2,0,0,0,0|2,0,0]=4 2366 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS15548 [0,2,0,0,0,0|2,0,0]=4 2367 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS24835 [0,2,0,0,0,0|2,0,0]=4 2368 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS35770 [0,2,0,0,0,0|2,0,0]=4 2369 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS50591 [0,2,0,0,0,0|2,0,0]=4 2370 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55765 [0,2,0,0,0,0|2,0,0]=4 2371 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS55766 [0,2,0,0,0,0|2,0,0]=4 2372 B11R1.509 C[N+](C)(C)Cc1ccccc1 TS81650 [0,2,0,0,0,0|2,0,0]=4 2373 B11R1.509 C[Si](C)(C)Cc1ccccc1 TS42820 [0,2,0,0,0,0|1,1,0]=4 2374 B11R1.509 C[Si](C)(Cc1ccccc1)Cl TS15404 [0,2,0,0,0,0|1,1,0]=4 2375 B11R1.509 [B-](Cc1ccccc1)(F)(F)F TS94615 [0,2,0,0,0,0|2,0,0]=4 2376 B11R1.509 c1ccc(cc1)CP(=O)(O)O TS45408 [0,2,0,0,0,0|2,0,0]=4 2377 B11R1.509 c1ccc(cc1)CS(=O)(=O)Cl TS01351 [0,2,0,0,0,0|2,0,0]=4 2378 B11R1.509 c1ccc(cc1)CS(=O)(=O)F TS13476 [0,2,0,0,0,0|2,0,0]=4 2379 B11R1.509 c1ccc(cc1)CS(=O)(=O)N TS59634 [0,2,0,0,0,0|1,0,0]=3 2380 B11R1.509 c1ccc(cc1)C[Ge](Cl)(Cl)Cl TS30752 [0,2,0,0,0,0|1,1,0]=4 2381 B11R1.509 c1ccc(cc1)C[Si](Cl)(Cl)Cl TS52219 [0,2,0,0,0,0|1,1,0]=4 2382 B11R1.509 c1ccc(cc1)C[Si](Cl)(Cl)Cl TS52220 [0,2,0,0,0,0|1,1,0]=4 2383 B11R1.509 c1ccc(cc1)OC(F)(F)F TS42383 [0,2,0,0,0,0|2,0,0]=4 2384 B11R1.509 c1ccc(cc1)OP(=O)(N)N TS45411 [0,2,0,0,0,0|2,0,0]=4 2385 B11R1.509 c1ccc(cc1)SC(F)(F)F TS14160 [0,2,0,0,0,0|2,0,0]=4 2386 B11R1.509 c1ccc(cc1)[Hg]C(Cl)(Cl)Cl TS69114 [0,2,0,0,0,0|2,0,0]=4 2387 B9R1.89 C1=CC=CC(C=C1)C#N TS04677 [0,0,1,1,0,0|0,0,2]=4 2388 B9R2.50 c1ccc2c(c1)CC2 TS04044 [1,0,0,1,0,0|0,0,0]=2 2389 B11R2.34 c1cc(ccc1C2CO2)Br TS54150 [0,1,0,1,0,0|1,0,0]=3 2390 B11R2.34 c1cc(ccc1C2CO2)Cl TS10530 [0,1,0,1,0,0|1,0,0]=3 2391 B11R2.34 c1cc(ccc1C2CO2)F TS37172 [0,1,0,1,0,0|1,0,0]=3 2392 B11R2.34 c1cc(ccc1[C@@H]2CO2)Br TS54152 [0,1,0,1,0,0|1,0,0]=3 2393 B11R2.34 c1cc(ccc1[C@@H]2CO2)Cl TS41460 [0,1,0,1,0,0|1,0,0]=3 2394 B11R2.34 c1cc(ccc1[C@H]2CO2)Br TS54153 [0,1,0,1,0,0|1,0,0]=3 2395 B11R2.36 Cc1ccc2c(c1)CCN2 TS55481 [0,1,0,1,0,0|0,0,0]=2 2396 B11R2.36 Cc1ccc2c(c1)NCC2 TS36773 [0,1,0,1,0,0|0,0,0]=2 2397 B11R2.36 Cc1ccc2c(c1)OCO2 TS36988 [0,1,0,1,0,0|2,0,0]=4 2398 B11R2.36 Cc1ccc2c(c1)[nH]cn2 TS36687 [0,1,0,1,0,0|1,0,1]=4 2399 B11R2.36 Cc1ccc2c(c1)cc[nH]2 TS01156 [0,1,0,1,0,0|0,0,2]=4 2400 B11R2.36 Cc1ccc2c(c1)cn[nH]2 TS55476 [0,1,0,1,0,0|1,0,1]=4 2401 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS36761 [0,1,0,1,0,0|2,0,0]=4 2402 B11R2.36 Cc1ccc2c(c1)nn[nH]2 TS73521 [0,1,0,1,0,0|2,0,0]=4 2403 B11R2.36 Cc1ccc2cc[nH]c2c1 TS01264 [0,1,0,1,0,0|0,0,2]=4 2404 B11R2.36 Cc1ccc2cc[nH]c2c1 TS11552 [0,1,0,1,0,0|0,0,2]=4 2405 B11R2.36 Cc1ccc2cn[nH]c2c1 TS36685 [0,1,0,1,0,0|1,0,1]=4 2406 B11R2.36 c1c(cnc2c1CCC2)Br TS53949 [0,1,0,1,0,0|2,0,0]=4 2407 B11R2.36 c1c(cnc2c1CCC2)N TS05911 [0,1,0,1,0,0|2,0,0]=4 2408 B11R2.36 c1c(cnc2c1CCN2)Br TS16970 [0,1,0,1,0,0|1,0,0]=3 2409 B11R2.36 c1cc(cc2c1cc[nH]2)Br TS55563 [0,1,0,1,0,0|0,0,2]=4 2410 B11R2.36 c1cc(cc2c1cc[nH]2)Cl TS08436 [0,1,0,1,0,0|0,0,2]=4 2411 B11R2.36 c1cc(cc2c1cc[nH]2)F TS01230 [0,1,0,1,0,0|0,0,2]=4 2412 B11R2.36 c1cc(cc2c1cc[nH]2)N TS05749 [0,1,0,1,0,0|0,0,2]=4 2413 B11R2.36 c1cc(cc2c1cc[nH]2)O TS55608 [0,1,0,1,0,0|0,0,2]=4 2414 B11R2.36 c1cc(nc2c1CCC2)Cl TS32914 [0,1,0,1,0,0|2,0,0]=4 2415 B11R2.36 c1cc(nc2c1CCC2)O TS29456 [0,1,0,1,0,0|2,0,0]=4 2416 B11R2.36 c1cc2c(cc1Br)C=CC2 TS03252 [0,1,0,1,0,0|1,0,1]=4 2417 B11R2.36 c1cc2c(cc1Br)CCN2 TS09804 [0,1,0,1,0,0|0,0,0]=2 2418 B11R2.36 c1cc2c(cc1Br)CCO2 TS16969 [0,1,0,1,0,0|1,0,0]=3 2419 B11R2.36 c1cc2c(cc1Br)CNC2 TS09806 [0,1,0,1,0,0|2,0,0]=4 2420 B11R2.36 c1cc2c(cc1Br)cn[nH]2 TS71464 [0,1,0,1,0,0|1,0,1]=4 2421 B11R2.36 c1cc2c(cc1Br)nn[nH]2 TS03248 [0,1,0,1,0,0|2,0,0]=4 2422 B11R2.36 c1cc2c(cc1Cl)C=CC2 TS09974 [0,1,0,1,0,0|1,0,1]=4 2423 B11R2.36 c1cc2c(cc1Cl)CCN2 TS41319 [0,1,0,1,0,0|0,0,0]=2 2424 B11R2.36 c1cc2c(cc1Cl)NCC2 TS41318 [0,1,0,1,0,0|0,0,0]=2 2425 B11R2.36 c1cc2c(cc1Cl)NCC2 TS55565 [0,1,0,1,0,0|0,0,0]=2 2426 B11R2.36 c1cc2c(cc1Cl)OCO2 TS10792 [0,1,0,1,0,0|2,0,0]=4 2427 B11R2.36 c1cc2c(cc1Cl)[nH]cn2 TS41215 [0,1,0,1,0,0|1,0,1]=4 2428 B11R2.36 c1cc2c(cc1Cl)cn[nH]2 TS89463 [0,1,0,1,0,0|1,0,1]=4 2429 B11R2.36 c1cc2c(cc1Cl)nn[nH]2 TS10359 [0,1,0,1,0,0|2,0,0]=4 2430 B11R2.36 c1cc2c(cc1F)C=CC2 TS05891 [0,1,0,1,0,0|1,0,1]=4 2431 B11R2.36 c1cc2c(cc1F)CCN2 TS06181 [0,1,0,1,0,0|0,0,0]=2 2432 B11R2.36 c1cc2c(cc1F)CNC2 TS39775 [0,1,0,1,0,0|2,0,0]=4 2433 B11R2.36 c1cc2c(cc1F)NCC2 TS06182 [0,1,0,1,0,0|0,0,0]=2 2434 B11R2.36 c1cc2c(cc1F)cn[nH]2 TS03297 [0,1,0,1,0,0|1,0,1]=4 2435 B11R2.36 c1cc2c(cc1F)nc[nH]2 TS36976 [0,1,0,1,0,0|1,0,1]=4 2436 B11R2.36 c1cc2c(cc1F)nn[nH]2 TS60434 [0,1,0,1,0,0|2,0,0]=4 2437 B11R2.36 c1cc2c(cc1I)CCO2 TS62237 [0,1,0,1,0,0|1,0,0]=3 2438 B11R2.36 c1cc2c(cc1I)OCO2 TS62506 [0,1,0,1,0,0|2,0,0]=4 2439 B11R2.36 c1cc2c(cc1I)cn[nH]2 TS03347 [0,1,0,1,0,0|1,0,1]=4 2440 B11R2.36 c1cc2c(cc1N)CCC2 TS36771 [0,1,0,1,0,0|1,0,0]=3 2441 B11R2.36 c1cc2c(cc1N)CCO2 TS85408 [0,1,0,1,0,0|1,0,0]=3 2442 B11R2.36 c1cc2c(cc1N)NCC2 TS20316 [0,1,0,1,0,0|0,0,0]=2 2443 B11R2.36 c1cc2c(cc1N)OCO2 TS59883 [0,1,0,1,0,0|2,0,0]=4 2444 B11R2.36 c1cc2c(cc1N)[nH]cn2 TS03240 [0,1,0,1,0,0|1,0,1]=4 2445 B11R2.36 c1cc2c(cc1N)cn[nH]2 TS71375 [0,1,0,1,0,0|1,0,1]=4 2446 B11R2.36 c1cc2c(cc1O)CCC2 TS36851 [0,1,0,1,0,0|1,0,0]=3 2447 B11R2.36 c1cc2c(cc1O)CCO2 TS36986 [0,1,0,1,0,0|1,0,0]=3 2448 B11R2.36 c1cc2c(cc1O)OCO2 TS39810 [0,1,0,1,0,0|2,0,0]=4 2449 B11R2.36 c1cc2c(cc1O)cn[nH]2 TS46952 [0,1,0,1,0,0|1,0,1]=4 2450 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS71465 [0,1,0,1,0,0|0,0,2]=4 2451 B11R2.36 c1cc2c(cc[nH]2)cc1Br TS94754 [0,1,0,1,0,0|0,0,2]=4 2452 B11R2.36 c1cc2c(cc[nH]2)cc1Cl TS71514 [0,1,0,1,0,0|0,0,2]=4 2453 B11R2.36 c1cc2c(cc[nH]2)cc1F TS03319 [0,1,0,1,0,0|0,0,2]=4 2454 B11R2.36 c1cc2c(cc[nH]2)cc1I TS26961 [0,1,0,1,0,0|0,0,2]=4 2455 B11R2.36 c1cc2c(cc[nH]2)cc1N TS36684 [0,1,0,1,0,0|0,0,2]=4 2456 B11R2.36 c1cc2c(cc[nH]2)cc1O TS03333 [0,1,0,1,0,0|0,0,2]=4 2457 B11R2.36 c1cc2cn[nH]c2cc1Br TS55538 [0,1,0,1,0,0|1,0,1]=4 2458 B11R2.36 c1cc2cn[nH]c2cc1Cl TS10256 [0,1,0,1,0,0|1,0,1]=4 2459 B11R2.36 c1cc2cn[nH]c2cc1F TS01222 [0,1,0,1,0,0|1,0,1]=4 2460 B11R2.36 c1cc2cn[nH]c2cc1I TS01243 [0,1,0,1,0,0|1,0,1]=4 2461 B11R2.36 c1cc2cn[nH]c2cc1N TS46953 [0,1,0,1,0,0|1,0,1]=4 2462 B11R2.36 c1cc2cn[nH]c2cc1O TS36823 [0,1,0,1,0,0|1,0,1]=4 2463 B11R2.10 CC1=Cc2ccccc2C1 TS36518 [0,1,0,1,0,0|1,0,1]=4 2464 B11R2.10 CC1Cc2ccccc2N1 TS05844 [0,1,0,1,0,0|0,0,0]=2 2465 B11R2.10 CC1Cc2ccccc2O1 TS36849 [0,1,0,1,0,0|1,0,0]=3 2466 B11R2.10 Cc1[nH]c2ccccc2n1 TS01130 [0,1,0,1,0,0|1,0,1]=4 2467 B11R2.10 Cc1cc2ccccc2[nH]1 TS65605 [0,1,0,1,0,0|0,0,2]=4 2468 B11R2.10 c1cc2c(nc1)CC(=O)N2 TS90280 [0,1,0,1,0,0|1,0,1]=4 2469 B11R2.10 c1cc2c(nc1)NC(=O)C2 TS46802 [0,1,0,1,0,0|1,0,1]=4 2470 B11R2.10 c1ccc2c(c1)CC(=C2)Br TS51952 [0,1,0,1,0,0|1,0,1]=4 2471 B11R2.10 c1ccc2c(c1)CC(=O)C2 TS55409 [0,1,0,1,0,0|1,0,1]=4 2472 B11R2.10 c1ccc2c(c1)CC(=O)O2 TS36798 [0,1,0,1,0,0|1,0,1]=4 2473 B11R2.10 c1ccc2c(c1)CC(=S)N2 TS07593 [0,1,0,1,0,0|0,0,1]=3 2474 B11R2.10 c1ccc2c(c1)CC(C2)I TS94847 [0,1,0,1,0,0|1,0,0]=3 2475 B11R2.10 c1ccc2c(c1)CC(C2)O TS55408 [0,1,0,1,0,0|1,0,0]=3 2476 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 TS59941 [0,1,0,1,0,0|1,0,1]=4 2477 B11R2.10 c1ccc2c(c1)[nH]c(n2)Br TS55154 [0,1,0,1,0,0|1,0,1]=4 2478 B11R2.10 c1ccc2c(c1)[nH]c(n2)Cl TS10252 [0,1,0,1,0,0|1,0,1]=4 2479 B11R2.10 c1ccc2c(c1)[nH]c(n2)I TS61935 [0,1,0,1,0,0|1,0,1]=4 2480 B11R2.10 c1ccc2c(c1)[nH]c(n2)N TS36756 [0,1,0,1,0,0|1,0,1]=4 2481 B11R2.10 c1ccc2c(c1)[nH]c(n2)O TS55397 [0,1,0,1,0,0|1,0,1]=4 2482 B11R2.10 c1ccc2c(c1)[nH]c(n2)S TS07963 [0,1,0,1,0,0|1,0,1]=4 2483 B11R2.10 c1ccc2c(c1)cc([nH]2)Br TS18166 [0,1,0,1,0,0|0,0,2]=4 2484 B11R2.10 c1ccc2c(c1)cc([nH]2)Cl TS41070 [0,1,0,1,0,0|0,0,2]=4 2485 B11R2.10 c1ccc2c(c1)cc([nH]2)N TS12624 [0,1,0,1,0,0|0,0,2]=4 2486 B11R2.10 c1ccc2c(c1)nc(o2)N TS00367 [0,1,0,1,0,0|1,0,1]=4 2487 B11R2.10 c1ccc2c(c1)nc(s2)N TS47465 [0,1,0,1,0,0|1,0,1]=4 2488 B11R2.10 c1ccc2c(c1)nn(n2)N TS05888 [0,1,0,1,0,0|2,0,0]=4 2489 B11R2.10 c1cncc2c1CC(=O)N2 TS87911 [0,1,0,1,0,0|1,0,1]=4 2490 B11R2.10 c1cncc2c1NC(=O)C2 TS87415 [0,1,0,1,0,0|1,0,1]=4 2491 B11R2.20 c1c2c(ncn1)CCNC2 TS86287 [0,1,0,1,0,0|2,0,0]=4 2492 B11R2.20 c1c2c(ncn1)CNCC2 TS91830 [0,1,0,1,0,0|2,0,0]=4 2493 B11R2.20 c1cc2c(nc1)CCCC2 TS71334 [0,1,0,1,0,0|2,0,0]=4 2494 B11R2.20 c1cc2c(nc1)CCCN2 TS05910 [0,1,0,1,0,0|1,0,0]=3 2495 B11R2.20 c1cc2c(nc1)CCNC2 TS16957 [0,1,0,1,0,0|1,0,0]=3 2496 B11R2.20 c1cc2c(nc1)CCNC2 TS94341 [0,1,0,1,0,0|1,0,0]=3 2497 B11R2.20 c1cc2c(nc1)CNCC2 TS02254 [0,1,0,1,0,0|1,0,0]=3 2498 B11R2.20 c1cc2c(nc1)CNCC2 TS86659 [0,1,0,1,0,0|1,0,0]=3 2499 B11R2.20 c1cc2c(nc1)NCCC2 TS05909 [0,1,0,1,0,0|1,0,0]=3 2500 B11R2.20 c1cc2c(nc1)NCCO2 TS02543 [0,1,0,1,0,0|1,0,0]=3 2501 B11R2.20 c1cc2c(nc1)OCCN2 TS87732 [0,1,0,1,0,0|1,0,0]=3 2502 B11R2.20 c1cc2c(nc1)OCCO2 TS37086 [0,1,0,1,0,0|2,0,0]=4 2503 B11R2.20 c1ccc2c(c1)CC=CC2 TS16693 [0,1,0,1,0,0|1,0,1]=4 2504 B11R2.20 c1ccc2c(c1)CCC=C2 TS36512 [0,1,0,1,0,0|1,0,0]=3 2505 B11R2.20 c1ccc2c(c1)CCCC2 TS36696 [0,1,0,1,0,0|1,0,0]=3 2506 B11R2.20 c1ccc2c(c1)CCCC2 TS73725 [0,1,0,1,0,0|1,0,0]=3 2507 B11R2.20 c1ccc2c(c1)CCCN2 TS00337 [0,1,0,1,0,0|0,0,0]=2 2508 B11R2.20 c1ccc2c(c1)CCN=C2 TS02548 [0,1,0,1,0,0|0,0,1]=3 2509 B11R2.20 c1ccc2c(c1)CCOC2 TS01923 [0,1,0,1,0,0|1,0,0]=3 2510 B11R2.20 c1ccc2c(c1)CNCO2 TS36914 [0,1,0,1,0,0|1,0,0]=3 2511 B11R2.20 c1ccc2c(c1)NCCN2 TS00343 [0,1,0,1,0,0|0,0,0]=2 2512 B11R2.20 c1ccc2c(c1)NCCO2 TS45382 [0,1,0,1,0,0|0,0,0]=2 2513 B11R2.20 c1ccc2c(c1)NCCO2 TS81066 [0,1,0,1,0,0|0,0,0]=2 2514 B11R2.20 c1ccc2c(c1)OCCO2 TS00382 [0,1,0,1,0,0|1,0,0]=3 2515 B11R2.20 c1ccc2c(c1)SCCS2 TS12590 [0,1,0,1,0,0|1,0,0]=3 2516 B11R2.20 c1cncc2c1CCCC2 TS16964 [0,1,0,1,0,0|2,0,0]=4 2517 B11R2.20 c1cncc2c1CCNC2 TS05913 [0,1,0,1,0,0|1,0,0]=3 2518 B11R2.106 Cc1cccc2c1NCC2 TS39800 [0,1,0,1,0,0|0,0,0]=2 2519 B11R2.106 Cc1cccc2c1[nH]cc2 TS09161 [0,1,0,1,0,0|0,0,2]=4 2520 B11R2.106 Cc1cccc2c1[nH]nc2 TS55690 [0,1,0,1,0,0|1,0,1]=4 2521 B11R2.106 Cc1cccc2c1cc[nH]2 TS03171 [0,1,0,1,0,0|0,0,2]=4 2522 B11R2.106 Cc1cccc2c1cn[nH]2 TS71225 [0,1,0,1,0,0|1,0,1]=4 2523 B11R2.106 c1c2c(c(cn1)Br)NCC2 TS87581 [0,1,0,1,0,0|1,0,0]=3 2524 B11R2.106 c1cc(c2c(c1)NCC2)N TS05908 [0,1,0,1,0,0|0,0,0]=2 2525 B11R2.106 c1cc(c2c(c1)OCC2)N TS07697 [0,1,0,1,0,0|1,0,0]=3 2526 B11R2.106 c1cc(c2c(c1)OCO2)N TS32755 [0,1,0,1,0,0|2,0,0]=4 2527 B11R2.106 c1cc(c2c(c1)[nH]cn2)N TS02784 [0,1,0,1,0,0|1,0,1]=4 2528 B11R2.106 c1cc(c2c(c1)[nH]nn2)N TS05882 [0,1,0,1,0,0|2,0,0]=4 2529 B11R2.106 c1cc(c2cc[nH]c2c1)N TS02994 [0,1,0,1,0,0|0,0,2]=4 2530 B11R2.106 c1cc(c2cn[nH]c2c1)N TS88817 [0,1,0,1,0,0|1,0,1]=4 2531 B11R2.106 c1cc2c(c(c1)Br)CCC2 TS89098 [0,1,0,1,0,0|1,0,0]=3 2532 B11R2.106 c1cc2c(c(c1)Br)CCN2 TS53950 [0,1,0,1,0,0|0,0,0]=2 2533 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS53948 [0,1,0,1,0,0|2,0,0]=4 2534 B11R2.106 c1cc2c(c(c1)Br)CNC2 TS56566 [0,1,0,1,0,0|2,0,0]=4 2535 B11R2.106 c1cc2c(c(c1)Br)OCO2 TS03032 [0,1,0,1,0,0|2,0,0]=4 2536 B11R2.106 c1cc2c(c(c1)Cl)CC=C2 TS09973 [0,1,0,1,0,0|1,0,1]=4 2537 B11R2.106 c1cc2c(c(c1)Cl)CCN2 TS09013 [0,1,0,1,0,0|0,0,0]=2 2538 B11R2.106 c1cc2c(c(c1)Cl)CCO2 TS10531 [0,1,0,1,0,0|1,0,0]=3 2539 B11R2.106 c1cc2c(c(c1)Cl)CNC2 TS51016 [0,1,0,1,0,0|2,0,0]=4 2540 B11R2.106 c1cc2c(c(c1)F)CNC2 TS45698 [0,1,0,1,0,0|2,0,0]=4 2541 B11R2.106 c1cc2c(c(c1)I)CCN2 TS62109 [0,1,0,1,0,0|0,0,0]=2 2542 B11R2.106 c1cc2c(c(c1)N)CCC2 TS36770 [0,1,0,1,0,0|1,0,0]=3 2543 B11R2.106 c1cc2c(c(c1)N)NCC2 TS20315 [0,1,0,1,0,0|0,0,0]=2 2544 B11R2.106 c1cc2c(c(c1)O)CC=C2 TS36662 [0,1,0,1,0,0|1,0,1]=4 2545 B11R2.106 c1cc2c(c(c1)O)nc[nH]2 TS36807 [0,1,0,1,0,0|1,0,1]=4 2546 B11R2.106 c1cc2c(c(c1)O)nn[nH]2 TS05980 [0,1,0,1,0,0|2,0,0]=4 2547 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br TS09604 [0,1,0,1,0,0|0,0,2]=4 2548 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl TS71069 [0,1,0,1,0,0|0,0,2]=4 2549 B11R2.106 c1cc2c(cc[nH]2)c(c1)F TS03092 [0,1,0,1,0,0|0,0,2]=4 2550 B11R2.106 c1cc2c(cc[nH]2)c(c1)O TS71173 [0,1,0,1,0,0|0,0,2]=4 2551 B11R2.106 c1cc2c(cn[nH]2)c(c1)Br TS09603 [0,1,0,1,0,0|1,0,1]=4 2552 B11R2.106 c1cc2c(cn[nH]2)c(c1)Cl TS09633 [0,1,0,1,0,0|1,0,1]=4 2553 B11R2.106 c1cc2c(cn[nH]2)c(c1)F TS36973 [0,1,0,1,0,0|1,0,1]=4 2554 B11R2.106 c1cc2c(cn[nH]2)c(c1)I TS71179 [0,1,0,1,0,0|1,0,1]=4 2555 B11R2.106 c1cc2c(cn[nH]2)c(c1)O TS88492 [0,1,0,1,0,0|1,0,1]=4 2556 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS55655 [0,1,0,1,0,0|0,0,2]=4 2557 B11R2.106 c1cc2cc[nH]c2c(c1)Br TS93651 [0,1,0,1,0,0|0,0,2]=4 2558 B11R2.106 c1cc2cc[nH]c2c(c1)Cl TS16506 [0,1,0,1,0,0|0,0,2]=4 2559 B11R2.106 c1cc2cc[nH]c2c(c1)F TS16518 [0,1,0,1,0,0|0,0,2]=4 2560 B11R2.106 c1cc2cc[nH]c2c(c1)N TS05750 [0,1,0,1,0,0|0,0,2]=4 2561 B11R2.106 c1cc2cc[nH]c2c(c1)O TS55678 [0,1,0,1,0,0|0,0,2]=4 2562 B11R2.106 c1cc2cn[nH]c2c(c1)Br TS16502 [0,1,0,1,0,0|1,0,1]=4 2563 B11R2.106 c1cc2cn[nH]c2c(c1)Cl TS55668 [0,1,0,1,0,0|1,0,1]=4 2564 B11R2.106 c1cc2cn[nH]c2c(c1)F TS16514 [0,1,0,1,0,0|1,0,1]=4 2565 B11R2.106 c1cc2cn[nH]c2c(c1)I TS61940 [0,1,0,1,0,0|1,0,1]=4 2566 B11R2.106 c1cc2cn[nH]c2c(c1)N TS01295 [0,1,0,1,0,0|1,0,1]=4 2567 B11R2.106 c1cc2cn[nH]c2c(c1)O TS05880 [0,1,0,1,0,0|1,0,1]=4 2568 B11R2.106 c1cnc(c2c1NCC2)Cl TS90893 [0,1,0,1,0,0|1,0,0]=3 2569 B11R2.988 c1ccc2c(c1)CC2CO TS36669 [0,1,0,1,0,0|1,0,0]=3 2570 B11R2.35 c1cc(cc(c1)Br)C2CC2 TS16329 [0,1,0,1,0,0|1,0,0]=3 2571 B11R2.35 c1cc(cc(c1)Cl)[C@H]2CO2 TS41458 [0,1,0,1,0,0|1,0,0]=3 2572 B11R2.1 CC1C=Cc2c1cccc2 TS36509 [0,1,0,1,0,0|1,0,1]=4 2573 B11R2.1 CC1CNc2c1cccc2 TS05845 [0,1,0,1,0,0|0,0,0]=2 2574 B11R2.1 CN1CCc2c1cccc2 TS36778 [0,1,0,1,0,0|0,0,0]=2 2575 B11R2.1 Cc1c2ccccc2[nH]n1 TS70652 [0,1,0,1,0,0|1,0,1]=4 2576 B11R2.1 Cc1c2ccccc2[nH]n1 TS91059 [0,1,0,1,0,0|1,0,1]=4 2577 B11R2.1 Cc1c[nH]c2c1cccc2 TS02848 [0,1,0,1,0,0|0,0,2]=4 2578 B11R2.1 Cn1c2ccccc2cn1 TS36679 [0,1,0,1,0,0|1,0,1]=4 2579 B11R2.1 Cn1c2ccccc2nn1 TS01810 [0,1,0,1,0,0|2,0,0]=4 2580 B11R2.1 Cn1ccc2c1cccc2 TS00492 [0,1,0,1,0,0|0,0,2]=4 2581 B11R2.1 Cn1cnc2c1cccc2 TS36688 [0,1,0,1,0,0|1,0,1]=4 2582 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,1,0,1,0,0|2,0,0]=4 2583 B11R2.1 c1cc2c(nc1)C(CC2)O TS36915 [0,1,0,1,0,0|2,0,0]=4 2584 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,1,0,1,0,0|2,0,0]=4 2585 B11R2.1 c1cc2c(nc1)CCC2N TS59726 [0,1,0,1,0,0|1,0,0]=3 2586 B11R2.1 c1ccc2c(c1)C(=O)CO2 TS05876 [0,1,0,1,0,0|1,0,1]=4 2587 B11R2.1 c1ccc2c(c1)C(CO2)N TS05988 [0,1,0,1,0,0|0,0,0]=2 2588 B11R2.1 c1ccc2c(c1)C(CO2)N TS45384 [0,1,0,1,0,0|0,0,0]=2 2589 B11R2.1 c1ccc2c(c1)CC=C2Br TS51953 [0,1,0,1,0,0|1,0,1]=4 2590 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,1,0,1,0,0|1,0,0]=3 2591 B11R2.1 c1ccc2c(c1)CCC2Cl TS41220 [0,1,0,1,0,0|1,0,0]=3 2592 B11R2.1 c1ccc2c(c1)CCC2N TS05846 [0,1,0,1,0,0|0,0,0]=2 2593 B11R2.1 c1ccc2c(c1)CCC2N TS45061 [0,1,0,1,0,0|0,0,0]=2 2594 B11R2.1 c1ccc2c(c1)CCC2O TS36840 [0,1,0,1,0,0|1,0,0]=3 2595 B11R2.1 c1ccc2c(c1)CC[C@@H]2N TS36779 [0,1,0,1,0,0|0,0,0]=2 2596 B11R2.1 c1ccc2c(c1)CC[C@@H]2O TS36843 [0,1,0,1,0,0|1,0,0]=3 2597 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS01966 [0,1,0,1,0,0|0,0,0]=2 2598 B11R2.1 c1ccc2c(c1)CC[C@H]2N TS08065 [0,1,0,1,0,0|0,0,0]=2 2599 B11R2.1 c1ccc2c(c1)CC[C@H]2O TS36850 [0,1,0,1,0,0|1,0,0]=3 2600 B11R2.1 c1ccc2c(c1)CN=C2N TS12625 [0,1,0,1,0,0|0,0,1]=3 2601 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,1,0,1,0,0|1,0,1]=4 2602 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,1,0,1,0,0|1,0,1]=4 2603 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br TS65948 [0,1,0,1,0,0|0,0,2]=4 2604 B11R2.1 c1ccc2c(c1)c(c[nH]2)F TS05986 [0,1,0,1,0,0|0,0,2]=4 2605 B11R2.1 c1ccc2c(c1)c(c[nH]2)I TS26960 [0,1,0,1,0,0|0,0,2]=4 2606 B11R2.1 c1ccc2c(c1)c(c[nH]2)O TS70623 [0,1,0,1,0,0|0,0,2]=4 2607 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br TS65947 [0,1,0,1,0,0|1,0,1]=4 2608 B11R2.1 c1ccc2c(c1)c(n[nH]2)Cl TS09510 [0,1,0,1,0,0|1,0,1]=4 2609 B11R2.1 c1ccc2c(c1)c(n[nH]2)I TS02806 [0,1,0,1,0,0|1,0,1]=4 2610 B11R2.1 c1ccc2c(c1)c(n[nH]2)N TS46951 [0,1,0,1,0,0|1,0,1]=4 2611 B11R2.1 c1ccc2c(c1)c(n[nH]2)O TS05879 [0,1,0,1,0,0|1,0,1]=4 2612 B11R2.1 c1ccc2c(c1)c(no2)N TS46773 [0,1,0,1,0,0|1,0,1]=4 2613 B11R2.1 c1ccc2c(c1)c(ns2)N TS46772 [0,1,0,1,0,0|1,0,1]=4 2614 B11R2.1 c1ccc2c(c1)ccn2N TS64998 [0,1,0,1,0,0|0,0,2]=4 2615 B11R2.1 c1ccc2c(c1)ncn2N TS05823 [0,1,0,1,0,0|1,0,1]=4 2616 B11R2.1 c1ccc2c(c1)nnn2N TS05886 [0,1,0,1,0,0|2,0,0]=4 2617 B11R2.1 c1ccc2c(c1)nnn2O TS00446 [0,1,0,1,0,0|2,0,0]=4 2618 B11R2.1 c1ccc2c(c1)nnn2O TS05979 [0,1,0,1,0,0|2,0,0]=4 2619 B11R2.1 c1ccc2c(c1)nnn2O TS93163 [0,1,0,1,0,0|2,0,0]=4 2620 B11R2.4 CC1CC1c2ccccc2 TS36705 [0,1,0,1,0,0|1,0,0]=3 2621 B11R2.4 C[C@@H]1[C@H](O1)c2ccccc2 TS05905 [0,1,0,1,0,0|1,0,0]=3 2622 B11R2.4 C[C@H]1[C@@H](O1)c2ccccc2 TS36853 [0,1,0,1,0,0|1,0,0]=3 2623 B11R2.4 c1ccc(cc1)C2CC2N TS45058 [0,1,0,1,0,0|0,0,0]=2 2624 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS12741 [0,1,0,1,0,0|0,0,0]=2 2625 B11R2.4 c1ccc(cc1)[C@@H]2C[C@H]2N TS66575 [0,1,0,1,0,0|0,0,0]=2 2626 B11R2.40 CC1(CO1)c2ccccc2 TS36836 [0,1,0,1,0,0|1,0,0]=3 2627 B11R2.40 c1cc(cnc1)C2(CC2)N TS47030 [0,1,0,1,0,0|2,0,0]=4 2628 B11R2.40 c1ccnc(c1)C2(CC2)N TS05915 [0,1,0,1,0,0|2,0,0]=4 2629 B11R2.239 c1ccc(cc1)C2CCN2 TS36775 [0,1,0,1,0,0|0,0,0]=2 2630 B11R2.238 c1ccc(cc1)CC2CC2 TS36695 [0,1,0,1,0,0|1,0,0]=3 2631 B11R2.238 c1ccc(cc1)CC2CN2 TS36772 [0,1,0,1,0,0|0,0,0]=2 2632 B11R2.238 c1ccc(cc1)C[C@@H]2CN2 TS36776 [0,1,0,1,0,0|0,0,0]=2 2633 B11R2.238 c1ccc(cc1)C[C@H]2CN2 TS36774 [0,1,0,1,0,0|0,0,0]=2 2634 B11R2.238 c1ccc(cc1)SC2CC2 TS55842 [0,1,0,1,0,0|1,0,0]=3 2635 B7R1.1 CCc1[nH]ccn1 TS31379 [1,0,0,0,1,0|2,0,0]=4 2636 B7R1.1 CCc1cc[nH]c1 TS03698 [1,0,0,0,1,0|1,0,0]=3 2637 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,0,1,0|1,0,0]=3 2638 B7R1.1 CCc1ccco1 TS31365 [1,0,0,0,1,0|1,0,0]=3 2639 B7R1.1 CCc1cccs1 TS04335 [1,0,0,0,1,0|1,0,0]=3 2640 B7R1.1 CCc1ccsc1 TS04333 [1,0,0,0,1,0|1,0,0]=3 2641 B7R1.1 CCc1nccs1 TS32027 [1,0,0,0,1,0|2,0,0]=4 2642 B7R1.1 CCn1cccc1 TS03701 [1,0,0,0,1,0|1,0,0]=3 2643 B7R1.1 CCn1cccn1 TS77180 [1,0,0,0,1,0|2,0,0]=4 2644 B7R1.1 CCn1ccnc1 TS31376 [1,0,0,0,1,0|2,0,0]=4 2645 B7R1.1 COc1ccco1 TS03757 [1,0,0,0,1,0|2,0,0]=4 2646 B7R1.1 COc1cccs1 TS39279 [1,0,0,0,1,0|2,0,0]=4 2647 B7R1.1 COc1ccsc1 TS70649 [1,0,0,0,1,0|2,0,0]=4 2648 B7R1.1 CSc1cccs1 TS05614 [1,0,0,0,1,0|2,0,0]=4 2649 B7R1.1 CSc1ccsc1 TS05615 [1,0,0,0,1,0|2,0,0]=4 2650 B7R1.1 c1c(cn[nH]1)CN TS91237 [1,0,0,0,1,0|2,0,0]=4 2651 B7R1.1 c1c(con1)CN TS05942 [1,0,0,0,1,0|2,0,0]=4 2652 B7R1.1 c1c(con1)CN TS91590 [1,0,0,0,1,0|2,0,0]=4 2653 B7R1.1 c1c(ncs1)CN TS09978 [1,0,0,0,1,0|2,0,0]=4 2654 B7R1.1 c1c(ncs1)CN TS88491 [1,0,0,0,1,0|2,0,0]=4 2655 B7R1.1 c1cc([nH]c1)CN TS31377 [1,0,0,0,1,0|1,0,0]=3 2656 B7R1.1 c1cc(oc1)CN TS03749 [1,0,0,0,1,0|1,0,0]=3 2657 B7R1.1 c1cc(oc1)CO TS03766 [1,0,0,0,1,0|2,0,0]=4 2658 B7R1.1 c1cc(oc1)CS TS32087 [1,0,0,0,1,0|2,0,0]=4 2659 B7R1.1 c1cc(sc1)CCl TS01778 [1,0,0,0,1,0|2,0,0]=4 2660 B7R1.1 c1cc(sc1)CN TS65663 [1,0,0,0,1,0|1,0,0]=3 2661 B7R1.1 c1cc(sc1)CO TS32088 [1,0,0,0,1,0|2,0,0]=4 2662 B7R1.1 c1cc(sc1)CS TS05613 [1,0,0,0,1,0|2,0,0]=4 2663 B7R1.1 c1cnc([nH]1)CN TS88455 [1,0,0,0,1,0|2,0,0]=4 2664 B7R1.1 c1cnoc1CN TS01391 [1,0,0,0,1,0|2,0,0]=4 2665 B7R1.1 c1cnoc1CN TS56201 [1,0,0,0,1,0|2,0,0]=4 2666 B7R1.1 c1cocc1CN TS31397 [1,0,0,0,1,0|1,0,0]=3 2667 B7R1.1 c1cocc1CN TS36795 [1,0,0,0,1,0|1,0,0]=3 2668 B7R1.1 c1cocc1CO TS02782 [1,0,0,0,1,0|2,0,0]=4 2669 B7R1.1 c1conc1CN TS03776 [1,0,0,0,1,0|2,0,0]=4 2670 B7R1.1 c1csc(n1)CN TS04455 [1,0,0,0,1,0|2,0,0]=4 2671 B7R1.1 c1csc(n1)CN TS09110 [1,0,0,0,1,0|2,0,0]=4 2672 B7R1.1 c1cscc1CBr TS65954 [1,0,0,0,1,0|2,0,0]=4 2673 B7R1.1 c1cscc1CCl TS36736 [1,0,0,0,1,0|2,0,0]=4 2674 B7R1.1 c1cscc1CN TS86063 [1,0,0,0,1,0|1,0,0]=3 2675 B7R1.1 c1cscc1CO TS70716 [1,0,0,0,1,0|2,0,0]=4 2676 B7R1.1 c1csnc1CN TS88909 [1,0,0,0,1,0|2,0,0]=4