0 B8R1.8 C=CCn1ccnc1 TS31776 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.8 CCCc1[nH]ccn1 TS02464 [0,0,0,0,0,0|4,0,0]=4 2 B8R1.8 CCCc1ccco1 TS31836 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.8 CCCc1cccs1 TS36171 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.8 CCCc1ccsc1 TS36172 [0,0,0,0,0,0|1,0,0]=1 5 B8R1.8 CCCn1ccnc1 TS04208 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.8 CCCn1cncn1 TS31877 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.8 CCNc1cccs1 TS36245 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.8 CNCc1ccco1 TS04251 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.8 CNCc1ccco1 TS07391 [0,0,0,0,0,0|4,0,0]=4 10 B8R1.8 CNCc1cccs1 TS01562 [0,0,0,0,0,0|4,0,0]=4 11 B8R1.8 CNCc1cccs1 TS11775 [0,0,0,0,0,0|4,0,0]=4 12 B8R1.8 CNCc1ccn[nH]1 TS39894 [0,0,0,0,0,0|4,0,0]=4 13 B8R1.8 CNCc1ccno1 TS04292 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 CNCc1ccon1 TS04289 [0,0,0,0,0,0|3,1,0]=4 15 B8R1.8 CNCc1cscn1 TS36317 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.8 COCc1ccco1 TS31900 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.8 CSCc1ccco1 TS05367 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.8 c1c(cn[nH]1)CCCl TS12337 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.8 c1c(cn[nH]1)CCO TS59575 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.8 c1c(con1)CCO TS04371 [0,0,0,0,0,0|2,1,0]=3 21 B8R1.8 c1c(nc[nH]1)CC#N TS31753 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.8 c1c(nc[nH]1)CCO TS65017 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.8 c1c(ncs1)CC#N TS05033 [0,0,0,0,0,0|1,0,2]=3 24 B8R1.8 c1c(ncs1)CCN TS36318 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.8 c1c[nH]nc1CC#N TS91166 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.8 c1c[nH]nc1CCN TS31879 [0,0,0,0,0,0|2,0,0]=2 27 B8R1.8 c1cc(oc1)CCO TS31915 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.8 c1cc(sc1)CC#N TS65657 [0,0,0,0,0,0|2,0,2]=4 29 B8R1.8 c1cc(sc1)CCBr TS51245 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.8 c1cc(sc1)CCN TS46632 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.8 c1cc(sc1)CCN TS65662 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.8 c1cc(sc1)CCN TS93665 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.8 c1cc(sc1)CCO TS65661 [0,0,0,0,0,0|3,0,0]=3 34 B8R1.8 c1cc(sc1)CNN TS86129 [0,0,0,0,0,0|3,0,0]=3 35 B8R1.8 c1ccn(c1)CCBr TS08145 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.8 c1ccn(c1)CCCl TS05507 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.8 c1ccn(c1)CCN TS08216 [0,0,0,0,0,0|2,0,0]=2 38 B8R1.8 c1ccn(c1)CCO TS31872 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.8 c1cn(cn1)CC#N TS85219 [0,0,0,0,0,0|2,0,2]=4 40 B8R1.8 c1cn(cn1)CCN TS85402 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.8 c1cn(cn1)CCO TS04290 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.8 c1cn(nn1)CCO TS04380 [0,0,0,0,0,0|4,0,0]=4 43 B8R1.8 c1cnc([nH]1)CCO TS04288 [0,0,0,0,0,0|4,0,0]=4 44 B8R1.8 c1cnn(c1)CCBr TS01977 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.8 c1cnn(c1)CCCl TS36568 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.8 c1cnn(c1)CCO TS04285 [0,0,0,0,0,0|4,0,0]=4 47 B8R1.8 c1coc(n1)CCN TS00111 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.8 c1csc(n1)CCN TS11967 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.8 c1csc[n+]1CCO TS20846 [0,0,0,0,0,0|2,0,0]=2 50 B8R1.8 c1cscc1C=NO TS05262 [0,0,0,0,0,0|2,0,1]=3 51 B8R1.8 c1cscc1CC#N TS32584 [0,0,0,0,0,0|0,0,2]=2 52 B8R1.8 c1cscc1CC#N TS83998 [0,0,0,0,0,0|0,0,2]=2 53 B8R1.8 c1cscc1CCN TS36246 [0,0,0,0,0,0|0,0,0]=0 54 B8R1.8 c1cscc1CCO TS01729 [0,0,0,0,0,0|1,0,0]=1 55 B8R1.8 c1cscc1CCO TS37040 [0,0,0,0,0,0|1,0,0]=1 56 B8R1.8 c1cscc1CNN TS89281 [0,0,0,0,0,0|1,0,0]=1 57 B8R1.8 c1cscc1N=C=O TS22827 [0,0,0,0,0,0|2,0,1]=3 58 B8R1.8 c1nc([nH]n1)CCN TS04300 [0,0,0,0,0,0|3,0,0]=3 59 B8R1.8 c1ncn(n1)CCCl TS01978 [0,0,0,0,0,0|4,0,0]=4 60 B8R1.8 c1ncn(n1)CCN TS15418 [0,0,0,0,0,0|3,0,0]=3 61 B8R1.8 c1ncn(n1)CCN TS47333 [0,0,0,0,0,0|3,0,0]=3 62 B8R1.8 c1ncn(n1)CCO TS04381 [0,0,0,0,0,0|4,0,0]=4 63 B8R1.8 c1nnc(s1)CCN TS89796 [0,0,0,0,0,0|3,0,0]=3 64 B8R1.8 c1nncn1CCO TS04375 [0,0,0,0,0,0|4,0,0]=4 65 B7R1.1 C#Cc1ccsc1 TS70562 [1,0,0,0,0,0|0,0,2]=3 66 B7R1.1 CCC1=CCCC1 TS03731 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.1 CCC1CCC=C1 TS03720 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.1 CCc1[nH]ccn1 TS31379 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 CCc1cc[nH]c1 TS03698 [1,0,0,0,0,0|1,0,0]=2 70 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,0,0,0|2,0,0]=3 71 B7R1.1 CCc1ccco1 TS31365 [1,0,0,0,0,0|2,0,0]=3 72 B7R1.1 CCc1cccs1 TS04335 [1,0,0,0,0,0|2,0,0]=3 73 B7R1.1 CCc1ccsc1 TS04333 [1,0,0,0,0,0|0,0,0]=1 74 B7R1.1 CCc1nccs1 TS32027 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 CCn1cccc1 TS03701 [1,0,0,0,0,0|2,0,0]=3 76 B7R1.1 CCn1cccn1 TS77180 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 CCn1ccnc1 TS31376 [1,0,0,0,0,0|2,0,0]=3 78 B7R1.1 CCn1cncn1 TS00433 [1,0,0,0,0,0|3,0,0]=4 79 B7R1.1 CNc1ccn[nH]1 TS91536 [1,0,0,0,0,0|3,0,0]=4 80 B7R1.1 CNc1cnco1 TS01626 [1,0,0,0,0,0|3,0,0]=4 81 B7R1.1 CNc1cncs1 TS91086 [1,0,0,0,0,0|3,0,0]=4 82 B7R1.1 CNc1cocn1 TS01625 [1,0,0,0,0,0|2,1,0]=4 83 B7R1.1 CNc1cocn1 TS71270 [1,0,0,0,0,0|2,1,0]=4 84 B7R1.1 COc1ccco1 TS03757 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.1 COc1cccs1 TS39279 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.1 COc1ccsc1 TS70649 [1,0,0,0,0,0|1,0,0]=2 87 B7R1.1 CSc1c[nH]cn1 TS04457 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.1 CSc1cccs1 TS05614 [1,0,0,0,0,0|3,0,0]=4 89 B7R1.1 CSc1ccsc1 TS05615 [1,0,0,0,0,0|1,0,0]=2 90 B7R1.1 c1[nH]nc(n1)CN TS31419 [1,0,0,0,0,0|3,0,0]=4 91 B7R1.1 c1c([nH]cn1)CO TS89152 [1,0,0,0,0,0|3,0,0]=4 92 B7R1.1 c1c(cn[nH]1)CCl TS60362 [1,0,0,0,0,0|3,0,0]=4 93 B7R1.1 c1c(cn[nH]1)CN TS91237 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.1 c1c(cn[nH]1)CO TS91560 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.1 c1c(con1)CBr TS42379 [1,0,0,0,0,0|2,1,0]=4 96 B7R1.1 c1c(con1)CCl TS32310 [1,0,0,0,0,0|2,1,0]=4 97 B7R1.1 c1c(con1)CN TS05942 [1,0,0,0,0,0|1,1,0]=3 98 B7R1.1 c1c(con1)CN TS91590 [1,0,0,0,0,0|1,1,0]=3 99 B7R1.1 c1c(con1)CO TS31465 [1,0,0,0,0,0|2,1,0]=4 100 B7R1.1 c1c(nc[nH]1)CCl TS10267 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 c1c(nc[nH]1)CO TS70769 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.1 c1c(nco1)CO TS90371 [1,0,0,0,0,0|2,1,0]=4 103 B7R1.1 c1c(ncs1)C#N TS03070 [1,0,0,0,0,0|1,0,2]=4 104 B7R1.1 c1c(ncs1)C=O TS01721 [1,0,0,0,0,0|2,0,1]=4 105 B7R1.1 c1c(ncs1)CN TS09978 [1,0,0,0,0,0|1,0,0]=2 106 B7R1.1 c1c(ncs1)CN TS88491 [1,0,0,0,0,0|1,0,0]=2 107 B7R1.1 c1c(ncs1)CO TS04539 [1,0,0,0,0,0|2,0,0]=3 108 B7R1.1 c1c(nn[nH]1)CN TS05945 [1,0,0,0,0,0|3,0,0]=4 109 B7R1.1 c1c(ocn1)CBr TS42378 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.1 c1c(ocn1)CCl TS32309 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.1 c1c(ocn1)CO TS91185 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.1 c1c(scn1)CO TS71321 [1,0,0,0,0,0|3,0,0]=4 113 B7R1.1 c1c[nH]cc1C#N TS02038 [1,0,0,0,0,0|1,0,2]=4 114 B7R1.1 c1c[nH]cc1C=O TS00457 [1,0,0,0,0,0|2,0,1]=4 115 B7R1.1 c1c[nH]nc1CO TS88889 [1,0,0,0,0,0|3,0,0]=4 116 B7R1.1 c1cc([nH]c1)CN TS31377 [1,0,0,0,0,0|2,0,0]=3 117 B7R1.1 c1cc(oc1)CN TS03749 [1,0,0,0,0,0|2,0,0]=3 118 B7R1.1 c1cc(oc1)CO TS03766 [1,0,0,0,0,0|3,0,0]=4 119 B7R1.1 c1cc(oc1)CS TS32087 [1,0,0,0,0,0|3,0,0]=4 120 B7R1.1 c1cc(sc1)CCl TS01778 [1,0,0,0,0,0|3,0,0]=4 121 B7R1.1 c1cc(sc1)CN TS65663 [1,0,0,0,0,0|2,0,0]=3 122 B7R1.1 c1cc(sc1)CO TS32088 [1,0,0,0,0,0|3,0,0]=4 123 B7R1.1 c1cc(sc1)CS TS05613 [1,0,0,0,0,0|3,0,0]=4 124 B7R1.1 c1cn(cn1)CO TS03775 [1,0,0,0,0,0|3,0,0]=4 125 B7R1.1 c1cnc([nH]1)CN TS88455 [1,0,0,0,0,0|3,0,0]=4 126 B7R1.1 c1cnoc1CN TS01391 [1,0,0,0,0,0|2,0,0]=3 127 B7R1.1 c1cnoc1CN TS56201 [1,0,0,0,0,0|2,0,0]=3 128 B7R1.1 c1cnoc1CO TS31470 [1,0,0,0,0,0|3,0,0]=4 129 B7R1.1 c1cocc1C=O TS02781 [1,0,0,0,0,0|1,1,1]=4 130 B7R1.1 c1cocc1CN TS31397 [1,0,0,0,0,0|0,1,0]=2 131 B7R1.1 c1cocc1CN TS36795 [1,0,0,0,0,0|0,1,0]=2 132 B7R1.1 c1cocc1CO TS02782 [1,0,0,0,0,0|1,1,0]=3 133 B7R1.1 c1conc1CCl TS09441 [1,0,0,0,0,0|2,1,0]=4 134 B7R1.1 c1conc1CN TS03776 [1,0,0,0,0,0|1,1,0]=3 135 B7R1.1 c1conc1CO TS31471 [1,0,0,0,0,0|2,1,0]=4 136 B7R1.1 c1csc(n1)CN TS04455 [1,0,0,0,0,0|3,0,0]=4 137 B7R1.1 c1csc(n1)CN TS09110 [1,0,0,0,0,0|3,0,0]=4 138 B7R1.1 c1cscc1C#N TS31806 [1,0,0,0,0,0|0,0,2]=3 139 B7R1.1 c1cscc1C=O TS70719 [1,0,0,0,0,0|1,0,1]=3 140 B7R1.1 c1cscc1CBr TS65954 [1,0,0,0,0,0|1,0,0]=2 141 B7R1.1 c1cscc1CCl TS36736 [1,0,0,0,0,0|1,0,0]=2 142 B7R1.1 c1cscc1CN TS86063 [1,0,0,0,0,0|0,0,0]=1 143 B7R1.1 c1cscc1CO TS70716 [1,0,0,0,0,0|1,0,0]=2 144 B7R1.1 c1csnc1CN TS88909 [1,0,0,0,0,0|1,0,0]=2 145 B7R1.1 c1nc(no1)CN TS31475 [1,0,0,0,0,0|2,1,0]=4 146 B7R1.1 c1nnc(o1)CN TS03809 [1,0,0,0,0,0|3,0,0]=4 147 B7R1.1 c1nnc(s1)CN TS88465 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.7 CCCc1csc(n1)N TS37632 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.7 Cc1[nH]c(nn1)CCN TS54161 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.7 Cc1c[nH]c(n1)CCN TS85318 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.7 Cc1nc(cs1)CCN TS37628 [0,1,0,0,0,0|1,0,0]=2 152 B9R1.7 Cc1nc(cs1)CNC TS37629 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.7 Cn1cc(cn1)CCN TS40006 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.7 c1c(csc1CCN)Br TS38925 [0,1,0,0,0,0|2,0,0]=3 155 B9R1.7 c1c(csc1Cl)CNN TS92166 [0,1,0,0,0,0|1,0,0]=2 156 B9R1.7 c1c(onc1Br)CCO TS51390 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.7 c1cc(sc1CCN)Br TS26924 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.7 c1cc(sc1CCN)Cl TS53962 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.7 c1cc(sc1CNN)Cl TS86991 [0,1,0,0,0,0|3,0,0]=4 160 B9R1.11 COC(=O)c1ccsc1 TS37576 [0,1,0,0,0,0|2,0,1]=4 161 B9R1.11 c1c(ncs1)C(=O)NN TS40077 [0,1,0,0,0,0|2,0,1]=4 162 B9R1.11 c1cc(oc1)C(CN)O TS36223 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.11 c1cc(oc1)[C@@H](CN)O TS36216 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.11 c1cc(sc1)C(CO)N TS91316 [0,1,0,0,0,0|3,0,0]=4 165 B9R1.11 c1cscc1C(=O)CBr TS09435 [0,1,0,0,0,0|1,0,1]=3 166 B9R1.11 c1cscc1C(=O)NN TS37589 [0,1,0,0,0,0|1,0,1]=3 167 B9R1.12 CCCCc1ccco1 TS35998 [0,1,0,0,0,0|3,0,0]=4 168 B9R1.12 CCCCc1cccs1 TS37432 [0,1,0,0,0,0|3,0,0]=4 169 B9R1.12 CCCCc1ccsc1 TS37433 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.12 CCCCn1ccnc1 TS00425 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.12 CCSCc1ccco1 TS37624 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.12 CNCCc1c[nH]cn1 TS53960 [0,1,0,0,0,0|2,0,0]=3 173 B9R1.12 CNCCc1cccs1 TS06619 [0,1,0,0,0,0|2,0,0]=3 174 B9R1.12 c1c(nc[nH]1)CCCN TS36075 [0,1,0,0,0,0|2,0,0]=3 175 B9R1.12 c1ccn(c1)CCC#N TS04819 [0,1,0,0,0,0|2,0,1]=4 176 B9R1.12 c1ccn(c1)CCCBr TS39573 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.12 c1ccn(c1)CCCO TS08736 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.12 c1cn(cn1)CCC#N TS32458 [0,1,0,0,0,0|2,0,1]=4 179 B9R1.12 c1cn(cn1)CCCN TS46709 [0,1,0,0,0,0|2,0,0]=3 180 B9R1.12 c1cn(cn1)CCCO TS05170 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.12 c1cn(nn1)CCCN TS11634 [0,1,0,0,0,0|3,0,0]=4 182 B9R1.12 c1cnn(c1)CCCN TS05096 [0,1,0,0,0,0|3,0,0]=4 183 B9R1.12 c1ncn(n1)CCCN TS36134 [0,1,0,0,0,0|3,0,0]=4 184 B9R1.13 CC(=O)Nc1ccsc1 TS37502 [0,1,0,0,0,0|2,0,1]=4 185 B9R1.13 CC(Cc1cccs1)O TS37625 [0,1,0,0,0,0|3,0,0]=4 186 B9R1.13 CC(Cn1ccnc1)O TS05171 [0,1,0,0,0,0|3,0,0]=4 187 B9R1.13 C[C@@H](Cc1c[nH]cn1)N TS35022 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.13 C[C@H](Cc1c[nH]cn1)N TS35021 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.13 c1c[nH]cc1CC(=O)O TS05070 [0,1,0,0,0,0|2,0,1]=4 190 B9R1.13 c1cc(sc1)CC(=N)N TS37404 [0,1,0,0,0,0|2,0,1]=4 191 B9R1.13 c1cc(sc1)CC(=O)N TS37498 [0,1,0,0,0,0|2,0,1]=4 192 B9R1.13 c1cscc1CC(=N)N TS37397 [0,1,0,0,0,0|0,0,1]=2 193 B9R1.13 c1cscc1CC(=O)Cl TS42246 [0,1,0,0,0,0|1,0,1]=3 194 B9R1.13 c1cscc1CC(=O)O TS00281 [0,1,0,0,0,0|1,0,1]=3 195 B9R1.33 Cc1c(scn1)CCCl TS42365 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.33 Cc1c(scn1)CCN TS37631 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.33 Cc1c(scn1)CCO TS03166 [0,1,0,0,0,0|3,0,0]=4 198 B9R1.33 Cc1nccn1CCO TS05169 [0,1,0,0,0,0|3,0,0]=4 199 B9R1.33 Cn1cncc1CCN TS60353 [0,1,0,0,0,0|2,0,0]=3 200 B7R0.1 CCCC=CC=CC TS31845 [0,0,1,0,0,0|2,0,1]=4 201 B7R0.1 CCCC=CCC=C TS31855 [0,0,1,0,0,0|2,0,0]=3 202 B7R0.1 CCCCC=CC=C TS31850 [0,0,1,0,0,0|2,0,1]=4 203 B9R2.2 c1c([nH]cn1)C2CC2 TS90169 [0,0,0,1,0,0|3,0,0]=4 204 B9R2.3 c1cn2c(n1)CCC2 TS31779 [0,0,0,1,0,0|3,0,0]=4 205 B9R2.3 c1csc2c1scc2 TS01724 [0,0,0,1,0,0|2,0,1]=4 206 B9R1.8 C#CCc1ccccc1 TS32230 [0,0,0,0,0,1|2,0,1]=4 207 B9R1.8 C1CCC(=CC1)CCN TS05119 [0,0,0,0,0,1|1,0,2]=4 208 B9R1.8 C=CCc1ccccc1 TS32347 [0,0,0,0,0,1|2,0,1]=4 209 B9R1.8 CCC[n+]1ccccc1 TS38202 [0,0,0,0,0,1|3,0,0]=4 210 B9R1.8 CCCc1ccccc1 TS04832 [0,0,0,0,0,1|2,0,0]=3 211 B9R1.8 CCCc1ccccn1 TS85359 [0,0,0,0,0,1|2,0,0]=3 212 B9R1.8 CCCc1cnccn1 TS59984 [0,0,0,0,0,1|2,0,0]=3 213 B9R1.8 CCNc1ccccc1 TS04869 [0,0,0,0,0,1|3,0,0]=4 214 B9R1.8 CCOc1ccccc1 TS04896 [0,0,0,0,0,1|3,0,0]=4 215 B9R1.8 CCOc1ccccn1 TS55309 [0,0,0,0,0,1|3,0,0]=4 216 B9R1.8 CCOc1ccncc1 TS04974 [0,0,0,0,0,1|3,0,0]=4 217 B9R1.8 CCOc1cnccn1 TS05010 [0,0,0,0,0,1|3,0,0]=4 218 B9R1.8 CCSc1ccccc1 TS06299 [0,0,0,0,0,1|3,0,0]=4 219 B9R1.8 CNCc1ccccc1 TS01938 [0,0,0,0,0,1|3,0,0]=4 220 B9R1.8 CNCc1ccccn1 TS51966 [0,0,0,0,0,1|3,0,0]=4 221 B9R1.8 CNCc1cccnc1 TS02609 [0,0,0,0,0,1|3,0,0]=4 222 B9R1.8 CNCc1ccncc1 TS65238 [0,0,0,0,0,1|3,0,0]=4 223 B9R1.8 CNCc1ccncn1 TS32568 [0,0,0,0,0,1|3,0,0]=4 224 B9R1.8 CNCc1cnccn1 TS01556 [0,0,0,0,0,1|3,0,0]=4 225 B9R1.8 CNCc1cncnc1 TS91331 [0,0,0,0,0,1|3,0,0]=4 226 B9R1.8 COCc1ccccc1 TS04897 [0,0,0,0,0,1|3,0,0]=4 227 B9R1.8 COCc1ccccn1 TS00518 [0,0,0,0,0,1|3,0,0]=4 228 B9R1.8 CSCc1ccccc1 TS06309 [0,0,0,0,0,1|3,0,0]=4 229 B9R1.8 [C-]#[N+]Cc1ccccc1 TS04681 [0,0,0,0,0,1|3,0,0]=4 230 B9R1.8 c1c(cncn1)CC#N TS88576 [0,0,0,0,0,1|1,0,2]=4 231 B9R1.8 c1c(cncn1)CNN TS87915 [0,0,0,0,0,1|2,0,0]=3 232 B9R1.8 c1cc(cnc1)CC#N TS04724 [0,0,0,0,0,1|1,0,2]=4 233 B9R1.8 c1cc(cnc1)CCN TS41995 [0,0,0,0,0,1|1,0,0]=2 234 B9R1.8 c1cc(cnc1)CCN TS65667 [0,0,0,0,0,1|1,0,0]=2 235 B9R1.8 c1cc(cnc1)CCO TS39614 [0,0,0,0,0,1|2,0,0]=3 236 B9R1.8 c1cc(cnc1)CNN TS87066 [0,0,0,0,0,1|2,0,0]=3 237 B9R1.8 c1cc(nnc1)CNN TS92328 [0,0,0,0,0,1|3,0,0]=4 238 B9R1.8 c1ccc(cc1)C=CN TS55760 [0,0,0,0,0,1|1,0,2]=4 239 B9R1.8 c1ccc(cc1)C=NN TS04817 [0,0,0,0,0,1|2,0,1]=4 240 B9R1.8 c1ccc(cc1)CC#N TS04678 [0,0,0,0,0,1|1,0,2]=4 241 B9R1.8 c1ccc(cc1)CCBr TS15419 [0,0,0,0,0,1|2,0,0]=3 242 B9R1.8 c1ccc(cc1)CCCl TS37454 [0,0,0,0,0,1|2,0,0]=3 243 B9R1.8 c1ccc(cc1)CCI TS25156 [0,0,0,0,0,1|2,0,0]=3 244 B9R1.8 c1ccc(cc1)CCN TS22602 [0,0,0,0,0,1|1,0,0]=2 245 B9R1.8 c1ccc(cc1)CCN TS65627 [0,0,0,0,0,1|1,0,0]=2 246 B9R1.8 c1ccc(cc1)CCO TS04901 [0,0,0,0,0,1|2,0,0]=3 247 B9R1.8 c1ccc(cc1)CCS TS06307 [0,0,0,0,0,1|2,0,0]=3 248 B9R1.8 c1ccc(cc1)CC[Zn+] TS62914 [0,0,0,0,0,1|2,0,0]=3 249 B9R1.8 c1ccc(cc1)CNN TS09177 [0,0,0,0,0,1|2,0,0]=3 250 B9R1.8 c1ccc(cc1)CNN TS21284 [0,0,0,0,0,1|2,0,0]=3 251 B9R1.8 c1ccc(cc1)CNO TS01934 [0,0,0,0,0,1|3,0,0]=4 252 B9R1.8 c1ccc(cc1)CNO TS93618 [0,0,0,0,0,1|3,0,0]=4 253 B9R1.8 c1ccc(cc1)C[Mg]Br TS52066 [0,0,0,0,0,1|3,0,0]=4 254 B9R1.8 c1ccc(cc1)C[Mg]Cl TS40953 [0,0,0,0,0,1|3,0,0]=4 255 B9R1.8 c1ccc(cc1)SCCl TS42004 [0,0,0,0,0,1|3,0,0]=4 256 B9R1.8 c1ccc(cc1)[SiH2]CCl TS10803 [0,0,0,0,0,1|2,1,0]=4 257 B9R1.8 c1ccnc(c1)CC#N TS04723 [0,0,0,0,0,1|1,0,2]=4 258 B9R1.8 c1ccnc(c1)CCCl TS37532 [0,0,0,0,0,1|2,0,0]=3 259 B9R1.8 c1ccnc(c1)CCN TS04914 [0,0,0,0,0,1|1,0,0]=2 260 B9R1.8 c1ccnc(c1)CCN TS17997 [0,0,0,0,0,1|1,0,0]=2 261 B9R1.8 c1ccnc(c1)CCO TS04967 [0,0,0,0,0,1|2,0,0]=3 262 B9R1.8 c1ccnc(c1)CNN TS87756 [0,0,0,0,0,1|2,0,0]=3 263 B9R1.8 c1cnc(cn1)CC#N TS87071 [0,0,0,0,0,1|1,0,2]=4 264 B9R1.8 c1cnc(cn1)CCN TS32564 [0,0,0,0,0,1|1,0,0]=2 265 B9R1.8 c1cnc(cn1)CCS TS37406 [0,0,0,0,0,1|2,0,0]=3 266 B9R1.8 c1cnc(cn1)CNN TS88060 [0,0,0,0,0,1|2,0,0]=3 267 B9R1.8 c1cnc(nc1)CNN TS88342 [0,0,0,0,0,1|3,0,0]=4 268 B9R1.8 c1cnccc1CCN TS09522 [0,0,0,0,0,1|1,0,0]=2 269 B9R1.8 c1cnccc1CCO TS70737 [0,0,0,0,0,1|2,0,0]=3 270 B9R1.8 c1cnccc1CCS TS06395 [0,0,0,0,0,1|2,0,0]=3 271 B9R1.8 c1cnccc1CCS TS46022 [0,0,0,0,0,1|2,0,0]=3 272 B9R1.8 c1cnccc1CNN TS85585 [0,0,0,0,0,1|2,0,0]=3 273 B9R1.8 c1cncnc1CC#N TS88689 [0,0,0,0,0,1|1,0,2]=4 274 B9R1.8 c1cncnc1CCN TS86707 [0,0,0,0,0,1|1,0,0]=2 275 B9R1.8 c1cnncc1CC#N TS89381 [0,0,0,0,0,1|1,0,2]=4 276 B9R1.8 c1cnncc1CNN TS91906 [0,0,0,0,0,1|2,0,0]=3 277 B6R0.6 C=CCCCCN TS03830 [1,0,1,0,0,0|0,0,2]=4 278 B6R0.6 CCC=CCC=O TS31443 [1,0,1,0,0,0|2,0,0]=4 279 B6R0.6 CCCC=CC=O TS31421 [1,0,1,0,0,0|1,1,0]=4 280 B6R0.6 CCCC=CC=O TS31438 [1,0,1,0,0,0|1,1,0]=4 281 B6R0.6 CCCC=CC=O TS31444 [1,0,1,0,0,0|1,1,0]=4 282 B6R0.1 CCC(=O)C=CC TS31436 [1,0,1,0,0,0|2,0,0]=4 283 B6R0.1 CCCC(=C)C=O TS31425 [1,0,1,0,0,0|1,1,0]=4 284 B6R0.9 CCC(=CC)C=O TS31448 [1,0,1,0,0,0|0,1,1]=4 285 B6R1.2 Cc1c[nH]cn1 TS03464 [2,0,0,0,0,0|2,0,0]=4 286 B6R1.2 Cc1c[nH]nc1 TS04770 [2,0,0,0,0,0|2,0,0]=4 287 B6R1.2 Cc1c[nH]nc1 TS71226 [2,0,0,0,0,0|2,0,0]=4 288 B6R1.2 Cc1cc[nH]c1 TS70679 [2,0,0,0,0,0|1,0,0]=3 289 B6R1.2 Cc1cc[nH]n1 TS70653 [2,0,0,0,0,0|2,0,0]=4 290 B6R1.2 Cc1ccco1 TS03463 [2,0,0,0,0,0|2,0,0]=4 291 B6R1.2 Cc1cccs1 TS65607 [2,0,0,0,0,0|2,0,0]=4 292 B6R1.2 Cc1ccno1 TS71696 [2,0,0,0,0,0|2,0,0]=4 293 B6R1.2 Cc1ccoc1 TS02846 [2,0,0,0,0,0|0,1,0]=3 294 B6R1.2 Cc1ccsc1 TS70682 [2,0,0,0,0,0|0,0,0]=2 295 B6R1.2 Cc1ccsn1 TS39717 [2,0,0,0,0,0|1,0,0]=3 296 B6R1.2 Cc1cncs1 TS33187 [2,0,0,0,0,0|2,0,0]=4 297 B6R1.2 Cc1cscn1 TS71246 [2,0,0,0,0,0|1,0,0]=3 298 B6R1.2 Cc1csnn1 TS03855 [2,0,0,0,0,0|2,0,0]=4 299 B6R1.2 Cn1cccc1 TS03445 [2,0,0,0,0,0|2,0,0]=4 300 B6R1.2 Cn1ccnc1 TS00490 [2,0,0,0,0,0|2,0,0]=4 301 B6R1.2 c1c(cn[nH]1)N TS70917 [2,0,0,0,0,0|2,0,0]=4 302 B6R1.2 c1c(cn[nH]1)N TS70918 [2,0,0,0,0,0|2,0,0]=4 303 B6R1.2 c1c(con1)N TS02997 [2,0,0,0,0,0|1,1,0]=4 304 B6R1.2 c1c(csn1)Br TS09610 [2,0,0,0,0,0|2,0,0]=4 305 B6R1.2 c1c(ncs1)Br TS09617 [2,0,0,0,0,0|2,0,0]=4 306 B6R1.2 c1c(ncs1)Cl TS71080 [2,0,0,0,0,0|2,0,0]=4 307 B6R1.2 c1c(scn1)N TS55508 [2,0,0,0,0,0|2,0,0]=4 308 B6R1.2 c1c[nH]cc1Br TS40352 [2,0,0,0,0,0|2,0,0]=4 309 B6R1.2 c1c[nH]nc1N TS00451 [2,0,0,0,0,0|2,0,0]=4 310 B6R1.2 c1c[nH]nc1N TS94840 [2,0,0,0,0,0|2,0,0]=4 311 B6R1.2 c1ccn(c1)N TS00391 [2,0,0,0,0,0|2,0,0]=4 312 B6R1.2 c1ccn(c1)N TS84904 [2,0,0,0,0,0|2,0,0]=4 313 B6R1.2 c1cn[nH]c1N TS55377 [2,0,0,0,0,0|2,0,0]=4 314 B6R1.2 c1cnoc1N TS85224 [2,0,0,0,0,0|2,0,0]=4 315 B6R1.2 c1cocc1Br TS65944 [2,0,0,0,0,0|1,1,0]=4 316 B6R1.2 c1conc1N TS65834 [2,0,0,0,0,0|1,1,0]=4 317 B6R1.2 c1cscc1Br TS09501 [2,0,0,0,0,0|1,0,0]=3 318 B6R1.2 c1cscc1Cl TS04772 [2,0,0,0,0,0|1,0,0]=3 319 B6R1.2 c1cscc1I TS70636 [2,0,0,0,0,0|1,0,0]=3 320 B6R1.2 c1cscc1N TS02675 [2,0,0,0,0,0|0,0,0]=2 321 B6R1.2 c1cscc1N TS88823 [2,0,0,0,0,0|0,0,0]=2 322 B6R1.2 c1cscc1S TS60165 [2,0,0,0,0,0|1,0,0]=3 323 B6R1.2 c1csnc1Br TS39302 [2,0,0,0,0,0|2,0,0]=4 324 B6R1.2 c1cssc1=S TS36878 [2,0,0,0,0,0|2,0,0]=4 325 B8R0.4 CCCC=CC=CC=O TS36011 [0,1,1,0,0,0|2,0,0]=4 326 B8R1.1 C#Cc1cc(sc1)Cl TS91416 [1,1,0,0,0,0|0,0,2]=4 327 B8R1.1 CCC1=CCC(=C1)C TS04143 [1,1,0,0,0,0|1,0,0]=3 328 B8R1.1 CC[n+]1ccn(c1)C TS13318 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.1 CC[n+]1ccn(c1)C TS26127 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.1 CC[n+]1ccn(c1)C TS50146 [1,1,0,0,0,0|2,0,0]=4 331 B8R1.1 CC[n+]1ccn(c1)C TS53944 [1,1,0,0,0,0|2,0,0]=4 332 B8R1.1 CC[n+]1ccn(c1)C TS68355 [1,1,0,0,0,0|2,0,0]=4 333 B8R1.1 CC[n+]1ccn(c1)C TS93305 [1,1,0,0,0,0|2,0,0]=4 334 B8R1.1 CC[n+]1ccn(c1)C TS93371 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.1 CC[n+]1ccn(c1)C TS93984 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.1 CC[n+]1ccn(c1)C TS93985 [1,1,0,0,0,0|2,0,0]=4 337 B8R1.1 CCc1cc([nH]n1)N TS03228 [1,1,0,0,0,0|2,0,0]=4 338 B8R1.1 CCc1ccc(s1)C TS36173 [1,1,0,0,0,0|2,0,0]=4 339 B8R1.1 CCc1cnc(s1)N TS36320 [1,1,0,0,0,0|2,0,0]=4 340 B8R1.1 CCc1nc(sn1)Cl TS07513 [1,1,0,0,0,0|2,0,0]=4 341 B8R1.1 CCc1nc(sn1)N TS05473 [1,1,0,0,0,0|2,0,0]=4 342 B8R1.1 Cc1cc(no1)CN TS08056 [1,1,0,0,0,0|1,1,0]=4 343 B8R1.1 Cc1cc(oc1)CN TS89029 [1,1,0,0,0,0|2,0,0]=4 344 B8R1.1 Cc1cc(sc1)CN TS36247 [1,1,0,0,0,0|2,0,0]=4 345 B8R1.1 Cc1ccc(o1)CN TS31873 [1,1,0,0,0,0|2,0,0]=4 346 B8R1.1 Cc1ccc(s1)CN TS36252 [1,1,0,0,0,0|2,0,0]=4 347 B8R1.1 Cc1nc(cs1)CCl TS15219 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.1 Cc1nc(cs1)CCl TS46478 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.1 Cc1nc(cs1)CN TS36319 [1,1,0,0,0,0|1,0,0]=3 350 B8R1.1 Cn1cc(cn1)CN TS02999 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.1 Cn1cc(nc1)CN TS64969 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.1 Cn1ccc(n1)CN TS90297 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.1 c1c(csc1Br)C#N TS86351 [1,1,0,0,0,0|0,0,2]=4 354 B8R1.1 c1c(csc1Br)C=O TS90833 [1,1,0,0,0,0|1,0,1]=4 355 B8R1.1 c1c(csc1Br)CN TS91257 [1,1,0,0,0,0|0,0,0]=2 356 B8R1.1 c1c(csc1CN)Br TS89953 [1,1,0,0,0,0|2,0,0]=4 357 B8R1.1 c1c(csc1CN)Cl TS87176 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.1 c1c(csc1Cl)C#N TS89762 [1,1,0,0,0,0|0,0,2]=4 359 B8R1.1 c1c(csc1Cl)C=O TS87564 [1,1,0,0,0,0|1,0,1]=4 360 B8R1.1 c1c(csc1Cl)CN TS86823 [1,1,0,0,0,0|0,0,0]=2 361 B8R1.1 c1c(csc1Cl)CO TS86398 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.1 c1c(nc(s1)Br)CO TS55177 [1,1,0,0,0,0|2,0,0]=4 363 B8R1.1 c1c(nc(s1)N)CCl TS00746 [1,1,0,0,0,0|2,0,0]=4 364 B8R1.1 c1c(nc(s1)N)CCl TS07512 [1,1,0,0,0,0|2,0,0]=4 365 B8R1.1 c1c(nc(s1)N)CO TS46502 [1,1,0,0,0,0|2,0,0]=4 366 B8R1.1 c1c(o[nH]c1=O)CN TS32048 [1,1,0,0,0,0|2,0,0]=4 367 B8R1.1 c1c(sc(n1)Cl)CN TS00907 [1,1,0,0,0,0|2,0,0]=4 368 B8R1.1 c1cc(sc1CN)Br TS16792 [1,1,0,0,0,0|2,0,0]=4 369 B8R1.1 c1cc(sc1CN)Cl TS07393 [1,1,0,0,0,0|2,0,0]=4 370 B8R1.1 c1cc(sc1CN)F TS91365 [1,1,0,0,0,0|2,0,0]=4 371 B8R1.7 B(c1ccsc1)(O)O TS87621 [1,1,0,0,0,0|2,0,0]=4 372 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,1,0,0,0,0|1,0,1]=4 373 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,1,0,0,0,0|0,0,1]=3 374 B8R1.7 CC(C)C1=CC=CC1 TS04141 [1,1,0,0,0,0|1,0,1]=4 375 B8R1.7 CC(C)C1C=CC=C1 TS31786 [1,1,0,0,0,0|1,0,1]=4 376 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [1,1,0,0,0,0|2,0,0]=4 377 B8R1.7 CC(C)n1ccnc1 TS04209 [1,1,0,0,0,0|2,0,0]=4 378 B8R1.7 CC(c1ccco1)N TS04253 [1,1,0,0,0,0|2,0,0]=4 379 B8R1.7 CC(c1ccco1)O TS31898 [1,1,0,0,0,0|2,0,0]=4 380 B8R1.7 CC(c1ccoc1)N TS31874 [1,1,0,0,0,0|0,1,0]=3 381 B8R1.7 CC(c1cscn1)N TS77127 [1,1,0,0,0,0|1,0,0]=3 382 B8R1.7 C[C@@H](c1cccs1)O TS05368 [1,1,0,0,0,0|2,0,0]=4 383 B8R1.7 C[C@H](c1ccco1)O TS31904 [1,1,0,0,0,0|2,0,0]=4 384 B8R1.7 C[C@H](c1cccs1)O TS08060 [1,1,0,0,0,0|2,0,0]=4 385 B8R1.7 c1c(ncs1)C(=O)N TS01722 [1,1,0,0,0,0|1,0,1]=4 386 B8R1.7 c1c(ncs1)C(=S)N TS40225 [1,1,0,0,0,0|1,0,1]=4 387 B8R1.7 c1cocc1C(=N)N TS07281 [1,1,0,0,0,0|0,1,1]=4 388 B8R1.7 c1cocc1C(=S)N TS05267 [1,1,0,0,0,0|0,1,1]=4 389 B8R1.7 c1cscc1C(=N)N TS11635 [1,1,0,0,0,0|0,0,1]=3 390 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,1,0,0,0,0|1,0,1]=4 391 B8R1.7 c1cscc1C(=O)O TS59444 [1,1,0,0,0,0|1,0,1]=4 392 B8R1.7 c1cscc1C(=S)N TS06880 [1,1,0,0,0,0|0,0,1]=3 393 B8R1.11 CCc1c[nH]nc1N TS65857 [1,1,0,0,0,0|2,0,0]=4 394 B8R1.11 Cc1c(cco1)SC TS36315 [1,1,0,0,0,0|1,1,0]=4 395 B8R1.11 Cn1c(ccn1)CN TS89183 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.11 Cn1cccc1CN TS04204 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.11 Cn1cncc1CN TS32742 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.11 c1[nH]c(c(n1)N)CN TS04304 [1,1,0,0,0,0|2,0,0]=4 399 B8R1.11 c1c(c(cs1)Br)C#N TS50647 [1,1,0,0,0,0|0,0,2]=4 400 B8R1.11 c1c(c(cs1)Br)C=O TS09451 [1,1,0,0,0,0|1,0,1]=4 401 B8R1.11 c1csc(c1Br)CN TS51400 [1,1,0,0,0,0|2,0,0]=4 402 B8R1.11 c1csc(c1C#N)N TS05035 [1,1,0,0,0,0|0,0,2]=4 403 B8R1.11 c1csc(c1CBr)Br TS86576 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.11 c1csc(c1CBr)Cl TS21190 [1,1,0,0,0,0|1,0,0]=3 405 B8R1.11 c1csc(c1CCl)Cl TS08393 [1,1,0,0,0,0|1,0,0]=3 406 B8R1.11 c1csc(c1CN)Br TS51399 [1,1,0,0,0,0|0,0,0]=2 407 B8R1.11 c1csc(c1Cl)CN TS85965 [1,1,0,0,0,0|2,0,0]=4 408 B10R1.1 CCCc1ccc(cc1)Br TS54164 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.1 CCCc1ccc(cc1)C TS05929 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.1 CCCc1ccc(cc1)Cl TS41466 [0,1,0,0,0,1|2,0,0]=4 411 B10R1.1 CCCc1ccc(cc1)F TS07665 [0,1,0,0,0,1|2,0,0]=4 412 B10R1.1 CCCc1ccc(cc1)I TS27402 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.1 CCCc1ccc(cc1)N TS36955 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.1 CCCc1ccc(cc1)O TS06088 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.1 CCCc1cnc(nc1)Cl TS10802 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.1 CCCc1cnc(nc1)N TS06200 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.1 CCCc1cnc(nc1)S TS41415 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.1 Cc1ccc(cc1)CCBr TS18768 [0,1,0,0,0,1|2,0,0]=4 419 B10R1.1 Cc1ccc(cc1)CCN TS36945 [0,1,0,0,0,1|1,0,0]=3 420 B10R1.1 Cc1ccc(cc1)CCO TS06073 [0,1,0,0,0,1|2,0,0]=4 421 B10R1.1 Cc1ccc(cn1)CCO TS06184 [0,1,0,0,0,1|2,0,0]=4 422 B10R1.1 c1cc(ccc1CCBr)Br TS71001 [0,1,0,0,0,1|2,0,0]=4 423 B10R1.1 c1cc(ccc1CCBr)Cl TS08144 [0,1,0,0,0,1|2,0,0]=4 424 B10R1.1 c1cc(ccc1CCBr)F TS38380 [0,1,0,0,0,1|2,0,0]=4 425 B10R1.1 c1cc(ccc1CCBr)O TS38051 [0,1,0,0,0,1|2,0,0]=4 426 B10R1.1 c1cc(ccc1CCCl)F TS11092 [0,1,0,0,0,1|2,0,0]=4 427 B10R1.1 c1cc(ccc1CCN)Br TS34272 [0,1,0,0,0,1|1,0,0]=3 428 B10R1.1 c1cc(ccc1CCN)Br TS71000 [0,1,0,0,0,1|1,0,0]=3 429 B10R1.1 c1cc(ccc1CCN)Cl TS10636 [0,1,0,0,0,1|1,0,0]=3 430 B10R1.1 c1cc(ccc1CCN)Cl TS51403 [0,1,0,0,0,1|1,0,0]=3 431 B10R1.1 c1cc(ccc1CCN)F TS03097 [0,1,0,0,0,1|1,0,0]=3 432 B10R1.1 c1cc(ccc1CCN)F TS13760 [0,1,0,0,0,1|1,0,0]=3 433 B10R1.1 c1cc(ccc1CCN)I TS27555 [0,1,0,0,0,1|1,0,0]=3 434 B10R1.1 c1cc(ccc1CCN)N TS09521 [0,1,0,0,0,1|1,0,0]=3 435 B10R1.1 c1cc(ccc1CCN)N TS37024 [0,1,0,0,0,1|1,0,0]=3 436 B10R1.1 c1cc(ccc1CCN)O TS01822 [0,1,0,0,0,1|1,0,0]=3 437 B10R1.1 c1cc(ccc1CCN)O TS39727 [0,1,0,0,0,1|1,0,0]=3 438 B10R1.1 c1cc(ccc1CCO)Br TS16460 [0,1,0,0,0,1|2,0,0]=4 439 B10R1.1 c1cc(ccc1CCO)Cl TS10797 [0,1,0,0,0,1|2,0,0]=4 440 B10R1.1 c1cc(ccc1CCO)F TS39509 [0,1,0,0,0,1|2,0,0]=4 441 B10R1.1 c1cc(ccc1CCO)N TS39616 [0,1,0,0,0,1|2,0,0]=4 442 B10R1.1 c1cc(ccc1CCO)O TS47066 [0,1,0,0,0,1|2,0,0]=4 443 B10R1.1 c1cc(ccc1CNN)Br TS91149 [0,1,0,0,0,1|2,0,0]=4 444 B10R1.1 c1cc(ccc1CNN)Cl TS90344 [0,1,0,0,0,1|2,0,0]=4 445 B10R1.1 c1cc(ccc1CNN)F TS88239 [0,1,0,0,0,1|2,0,0]=4 446 B10R1.1 c1cc(ccc1CNN)F TS94903 [0,1,0,0,0,1|2,0,0]=4 447 B10R1.1 c1cc(ncc1Br)CCN TS88073 [0,1,0,0,0,1|1,0,0]=3 448 B10R1.1 c1cc(ncc1Br)CCO TS86702 [0,1,0,0,0,1|2,0,0]=4 449 B10R1.4 CCCc1ccccc1C TS05927 [0,1,0,0,0,1|2,0,0]=4 450 B10R1.4 CCCc1ccccc1N TS36961 [0,1,0,0,0,1|2,0,0]=4 451 B10R1.4 CCCc1ccccc1O TS06077 [0,1,0,0,0,1|2,0,0]=4 452 B10R1.4 Cc1c(cccn1)CCO TS37129 [0,1,0,0,0,1|2,0,0]=4 453 B10R1.4 Cc1ccccc1CCBr TS54167 [0,1,0,0,0,1|2,0,0]=4 454 B10R1.4 Cc1ccccc1CCO TS37017 [0,1,0,0,0,1|2,0,0]=4 455 B10R1.4 c1cc(c(nc1)CCN)Br TS86650 [0,1,0,0,0,1|1,0,0]=3 456 B10R1.4 c1ccc(c(c1)CCBr)Cl TS55287 [0,1,0,0,0,1|2,0,0]=4 457 B10R1.4 c1ccc(c(c1)CCBr)F TS01032 [0,1,0,0,0,1|2,0,0]=4 458 B10R1.4 c1ccc(c(c1)CCN)Br TS37849 [0,1,0,0,0,1|1,0,0]=3 459 B10R1.4 c1ccc(c(c1)CCN)Cl TS10628 [0,1,0,0,0,1|1,0,0]=3 460 B10R1.4 c1ccc(c(c1)CCN)F TS37288 [0,1,0,0,0,1|1,0,0]=3 461 B10R1.4 c1ccc(c(c1)CCN)F TS37293 [0,1,0,0,0,1|1,0,0]=3 462 B10R1.4 c1ccc(c(c1)CCN)N TS06107 [0,1,0,0,0,1|1,0,0]=3 463 B10R1.4 c1ccc(c(c1)CCN)O TS37108 [0,1,0,0,0,1|1,0,0]=3 464 B10R1.4 c1ccc(c(c1)CCO)Br TS38054 [0,1,0,0,0,1|2,0,0]=4 465 B10R1.4 c1ccc(c(c1)CCO)Cl TS41724 [0,1,0,0,0,1|2,0,0]=4 466 B10R1.4 c1ccc(c(c1)CCO)F TS37364 [0,1,0,0,0,1|2,0,0]=4 467 B10R1.4 c1ccc(c(c1)CCO)N TS37117 [0,1,0,0,0,1|2,0,0]=4 468 B10R1.4 c1ccc(c(c1)CCO)O TS55402 [0,1,0,0,0,1|2,0,0]=4 469 B10R1.4 c1ccc(c(c1)CNN)Br TS89985 [0,1,0,0,0,1|2,0,0]=4 470 B10R1.4 c1ccc(c(c1)CNN)Cl TS90343 [0,1,0,0,0,1|2,0,0]=4 471 B10R1.4 c1ccc(c(c1)CNN)F TS88873 [0,1,0,0,0,1|2,0,0]=4 472 B10R1.4 c1ccc(c(c1)CNN)F TS94875 [0,1,0,0,0,1|2,0,0]=4 473 B10R1.4 c1ccc(c(c1)CON)F TS93890 [0,1,0,0,0,1|2,0,0]=4 474 B10R1.4 c1ccc(c(c1)CON)I TS94168 [0,1,0,0,0,1|2,0,0]=4 475 B10R1.10 CCCc1cccc(c1)C TS36863 [0,1,0,0,0,1|2,0,0]=4 476 B10R1.10 CCCc1cccc(c1)O TS70692 [0,1,0,0,0,1|2,0,0]=4 477 B10R1.10 CCCc1cccc(n1)N TS55636 [0,1,0,0,0,1|2,0,0]=4 478 B10R1.10 CCCc1ccnc(c1)N TS06105 [0,1,0,0,0,1|2,0,0]=4 479 B10R1.10 Cc1cccc(c1)CCBr TS54163 [0,1,0,0,0,1|2,0,0]=4 480 B10R1.10 Cc1cccc(c1)CCN TS45399 [0,1,0,0,0,1|1,0,0]=3 481 B10R1.10 Cc1cccc(c1)CCN TS70669 [0,1,0,0,0,1|1,0,0]=3 482 B10R1.10 Cc1cccc(c1)CCO TS37008 [0,1,0,0,0,1|2,0,0]=4 483 B10R1.10 Cc1cccc(n1)CCO TS37109 [0,1,0,0,0,1|2,0,0]=4 484 B10R1.10 c1c(cncc1Br)CNN TS92508 [0,1,0,0,0,1|2,0,0]=4 485 B10R1.10 c1cc(cc(c1)Br)CCN TS09479 [0,1,0,0,0,1|1,0,0]=3 486 B10R1.10 c1cc(cc(c1)Br)CCN TS37842 [0,1,0,0,0,1|1,0,0]=3 487 B10R1.10 c1cc(cc(c1)Br)CCO TS65956 [0,1,0,0,0,1|2,0,0]=4 488 B10R1.10 c1cc(cc(c1)Br)CNN TS85618 [0,1,0,0,0,1|2,0,0]=4 489 B10R1.10 c1cc(cc(c1)Br)CON TS26272 [0,1,0,0,0,1|2,0,0]=4 490 B10R1.10 c1cc(cc(c1)Cl)CCBr TS08143 [0,1,0,0,0,1|2,0,0]=4 491 B10R1.10 c1cc(cc(c1)Cl)CCN TS41558 [0,1,0,0,0,1|1,0,0]=3 492 B10R1.10 c1cc(cc(c1)Cl)CCO TS10796 [0,1,0,0,0,1|2,0,0]=4 493 B10R1.10 c1cc(cc(c1)Cl)CNN TS88866 [0,1,0,0,0,1|2,0,0]=4 494 B10R1.10 c1cc(cc(c1)F)CCBr TS32877 [0,1,0,0,0,1|2,0,0]=4 495 B10R1.10 c1cc(cc(c1)F)CCN TS70600 [0,1,0,0,0,1|1,0,0]=3 496 B10R1.10 c1cc(cc(c1)F)CCO TS37362 [0,1,0,0,0,1|2,0,0]=4 497 B10R1.10 c1cc(cc(c1)F)CNN TS88510 [0,1,0,0,0,1|2,0,0]=4 498 B10R1.10 c1cc(cc(c1)F)CON TS93853 [0,1,0,0,0,1|2,0,0]=4 499 B10R1.10 c1cc(cc(c1)N)CCO TS06195 [0,1,0,0,0,1|2,0,0]=4 500 B10R1.10 c1cc(cc(c1)O)CCN TS39688 [0,1,0,0,0,1|1,0,0]=3 501 B10R1.10 c1cc(cc(c1)O)CCO TS06255 [0,1,0,0,0,1|2,0,0]=4 502 B10R1.10 c1cc(cc(c1)O)CCO TS06258 [0,1,0,0,0,1|2,0,0]=4 503 B10R1.10 c1cc(cc(c1)O)CNN TS43951 [0,1,0,0,0,1|2,0,0]=4 504 B10R1.10 c1cnc(cc1CCN)Br TS49022 [0,1,0,0,0,1|1,0,0]=3 505 B10R1.15 CC(CBr)c1ccccc1 TS54166 [0,1,0,0,0,1|2,0,0]=4 506 B10R1.15 CC(CN)c1ccccc1 TS36949 [0,1,0,0,0,1|1,0,0]=3 507 B10R1.15 CC(CO)c1ccccc1 TS06093 [0,1,0,0,0,1|2,0,0]=4 508 B10R1.15 CCC(C)c1ccccc1 TS36864 [0,1,0,0,0,1|2,0,0]=4 509 B10R1.15 CCC(C)c1cnccn1 TS37025 [0,1,0,0,0,1|2,0,0]=4 510 B10R1.15 CCC(c1ccccc1)N TS36947 [0,1,0,0,0,1|2,0,0]=4 511 B10R1.15 CCC(c1ccccc1)O TS37007 [0,1,0,0,0,1|2,0,0]=4 512 B10R1.15 CCC(c1ccncc1)N TS06101 [0,1,0,0,0,1|2,0,0]=4 513 B10R1.15 CCC(c1cnccn1)N TS90912 [0,1,0,0,0,1|2,0,0]=4 514 B10R1.15 CC[C@H](c1ccccc1)N TS46586 [0,1,0,0,0,1|2,0,0]=4 515 B10R1.15 CC[C@H](c1ccccc1)O TS00311 [0,1,0,0,0,1|2,0,0]=4 516 B10R1.15 C[C@@H](CN)c1ccccc1 TS08913 [0,1,0,0,0,1|1,0,0]=3 517 B10R1.15 C[C@@H](CO)c1ccccc1 TS37012 [0,1,0,0,0,1|2,0,0]=4 518 B10R1.15 C[C@H](CN)c1ccccc1 TS08921 [0,1,0,0,0,1|1,0,0]=3 519 B10R1.15 C[C@H](CO)c1ccccc1 TS37011 [0,1,0,0,0,1|2,0,0]=4 520 B10R1.15 C[C@H](C[NH-])c1ccccc1 TS40751 [0,1,0,0,0,1|1,0,1]=4 521 B10R1.15 c1cc(cnc1)C(CN)O TS37204 [0,1,0,0,0,1|1,0,0]=3 522 B10R1.15 c1cc(cnc1)[C@H](CCl)O TS10916 [0,1,0,0,0,1|2,0,0]=4 523 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,1,0,0,0,1|1,0,1]=4 524 B10R1.15 c1ccc(cc1)C(CBr)Br TS29982 [0,1,0,0,0,1|2,0,0]=4 525 B10R1.15 c1ccc(cc1)C(CBr)O TS08926 [0,1,0,0,0,1|2,0,0]=4 526 B10R1.15 c1ccc(cc1)C(CN)Cl TS41559 [0,1,0,0,0,1|1,0,0]=3 527 B10R1.15 c1ccc(cc1)C(CN)N TS37030 [0,1,0,0,0,1|1,0,0]=3 528 B10R1.15 c1ccc(cc1)C(CN)O TS45701 [0,1,0,0,0,1|1,0,0]=3 529 B10R1.15 c1ccc(cc1)C(CN)O TS93680 [0,1,0,0,0,1|1,0,0]=3 530 B10R1.15 c1ccc(cc1)C(CO)N TS37105 [0,1,0,0,0,1|2,0,0]=4 531 B10R1.15 c1ccc(cc1)C(CO)O TS06242 [0,1,0,0,0,1|2,0,0]=4 532 B10R1.15 c1ccc(cc1)[C@@H](CCl)O TS10799 [0,1,0,0,0,1|2,0,0]=4 533 B10R1.15 c1ccc(cc1)[C@@H](CN)O TS64977 [0,1,0,0,0,1|1,0,0]=3 534 B10R1.15 c1ccc(cc1)[C@@H](CO)N TS06187 [0,1,0,0,0,1|2,0,0]=4 535 B10R1.15 c1ccc(cc1)[C@@H](CO)O TS08646 [0,1,0,0,0,1|2,0,0]=4 536 B10R1.15 c1ccc(cc1)[C@H](CCl)O TS41718 [0,1,0,0,0,1|2,0,0]=4 537 B10R1.15 c1ccc(cc1)[C@H](CN)O TS08918 [0,1,0,0,0,1|1,0,0]=3 538 B10R1.15 c1ccc(cc1)[C@H](CO)N TS00302 [0,1,0,0,0,1|2,0,0]=4 539 B10R1.15 c1ccc(cc1)[C@H](CO)O TS59488 [0,1,0,0,0,1|2,0,0]=4 540 B10R1.15 c1cnccc1C(CN)O TS43948 [0,1,0,0,0,1|1,0,0]=3 541 B10R1.17 C#CCCc1ccccc1 TS36511 [0,1,0,0,0,1|2,0,0]=4 542 B10R1.17 C=CCCc1ccccc1 TS36707 [0,1,0,0,0,1|2,0,0]=4 543 B10R1.17 C=CCCc1ccncc1 TS36777 [0,1,0,0,0,1|2,0,0]=4 544 B10R1.17 CCCCc1ccccc1 TS36870 [0,1,0,0,0,1|2,0,0]=4 545 B10R1.17 CCCCc1ccccn1 TS06002 [0,1,0,0,0,1|2,0,0]=4 546 B10R1.17 CCCCc1cccnc1 TS06012 [0,1,0,0,0,1|2,0,0]=4 547 B10R1.17 CCCCc1ccncc1 TS06014 [0,1,0,0,0,1|2,0,0]=4 548 B10R1.17 CCCNc1ccccc1 TS36942 [0,1,0,0,0,1|2,0,0]=4 549 B10R1.17 CCCOc1ccccc1 TS37010 [0,1,0,0,0,1|2,0,0]=4 550 B10R1.17 CCCSc1ccccc1 TS41194 [0,1,0,0,0,1|2,0,0]=4 551 B10R1.17 CCNCc1ccccc1 TS06015 [0,1,0,0,0,1|2,0,0]=4 552 B10R1.17 CCNCc1ccncc1 TS37037 [0,1,0,0,0,1|2,0,0]=4 553 B10R1.17 CCOCc1ccccc1 TS37009 [0,1,0,0,0,1|2,0,0]=4 554 B10R1.17 CCSCc1ccccc1 TS41200 [0,1,0,0,0,1|2,0,0]=4 555 B10R1.17 CNCCc1ccccc1 TS01606 [0,1,0,0,0,1|1,0,0]=3 556 B10R1.17 CNCCc1ccccn1 TS37041 [0,1,0,0,0,1|1,0,0]=3 557 B10R1.17 CNCCc1ccccn1 TS63536 [0,1,0,0,0,1|1,0,0]=3 558 B10R1.17 CNCCc1ccccn1 TS65180 [0,1,0,0,0,1|1,0,0]=3 559 B10R1.17 CNCCc1cccnc1 TS08004 [0,1,0,0,0,1|1,0,0]=3 560 B10R1.17 CNCCc1ccncc1 TS37035 [0,1,0,0,0,1|1,0,0]=3 561 B10R1.17 COCCc1ccccc1 TS06081 [0,1,0,0,0,1|2,0,0]=4 562 B10R1.17 COCCc1ccccn1 TS06192 [0,1,0,0,0,1|2,0,0]=4 563 B10R1.17 [C-]#[N+]CCc1ccccc1 TS05666 [0,1,0,0,0,1|1,0,1]=4 564 B10R1.17 c1cc(cnc1)CCC#N TS05740 [0,1,0,0,0,1|1,0,1]=4 565 B10R1.17 c1cc(cnc1)CCCO TS37116 [0,1,0,0,0,1|2,0,0]=4 566 B10R1.17 c1ccc(cc1)C#CCN TS05672 [0,1,0,0,0,1|1,0,1]=4 567 B10R1.17 c1ccc(cc1)CCC#N TS56176 [0,1,0,0,0,1|1,0,1]=4 568 B10R1.17 c1ccc(cc1)CCC=O TS01796 [0,1,0,0,0,1|2,0,0]=4 569 B10R1.17 c1ccc(cc1)CCCCl TS41470 [0,1,0,0,0,1|2,0,0]=4 570 B10R1.17 c1ccc(cc1)CCCN TS36954 [0,1,0,0,0,1|1,0,0]=3 571 B10R1.17 c1ccc(cc1)CCCO TS37013 [0,1,0,0,0,1|2,0,0]=4 572 B10R1.17 c1ccc(cc1)CCCS TS41196 [0,1,0,0,0,1|2,0,0]=4 573 B10R1.17 c1ccc(cc1)CCNN TS06106 [0,1,0,0,0,1|1,0,0]=3 574 B10R1.17 c1ccc(cc1)COCCl TS39818 [0,1,0,0,0,1|2,0,0]=4 575 B10R1.17 c1ccc(cc1)CSCBr TS22173 [0,1,0,0,0,1|2,0,0]=4 576 B10R1.17 c1ccc(cc1)CSCCl TS13275 [0,1,0,0,0,1|2,0,0]=4 577 B10R1.17 c1ccc(cc1)NCCN TS37036 [0,1,0,0,0,1|1,0,0]=3 578 B10R1.17 c1ccc(cc1)NCCO TS37110 [0,1,0,0,0,1|2,0,0]=4 579 B10R1.17 c1ccc(cc1)OCCBr TS55768 [0,1,0,0,0,1|2,0,0]=4 580 B10R1.17 c1ccc(cc1)OCCCl TS10798 [0,1,0,0,0,1|2,0,0]=4 581 B10R1.17 c1ccc(cc1)OCCN TS65630 [0,1,0,0,0,1|1,0,0]=3 582 B10R1.17 c1ccc(cc1)OCCO TS06243 [0,1,0,0,0,1|2,0,0]=4 583 B10R1.17 c1ccc(cc1)SCCBr TS49223 [0,1,0,0,0,1|2,0,0]=4 584 B10R1.17 c1ccc(cc1)SCCCl TS13277 [0,1,0,0,0,1|2,0,0]=4 585 B10R1.17 c1ccc(cc1)SCCO TS10471 [0,1,0,0,0,1|2,0,0]=4 586 B10R1.17 c1ccnc(c1)CCCCl TS10631 [0,1,0,0,0,1|2,0,0]=4 587 B10R1.17 c1ccnc(c1)CCCO TS02471 [0,1,0,0,0,1|2,0,0]=4 588 B10R1.17 c1ccnc(c1)NCCO TS45873 [0,1,0,0,0,1|2,0,0]=4 589 B10R1.17 c1ccnc(c1)SCCO TS10597 [0,1,0,0,0,1|2,0,0]=4 590 B10R1.17 c1cnccc1CCCN TS37023 [0,1,0,0,0,1|1,0,0]=3 591 B10R1.17 c1cnccc1CCCO TS37120 [0,1,0,0,0,1|2,0,0]=4 592 B10R1.17 c1cnccc1NCCN TS45706 [0,1,0,0,0,1|1,0,0]=3 593 B10R1.18 CC(C)Cc1ccccc1 TS74509 [0,1,0,0,0,1|2,0,0]=4 594 B10R1.18 CC(C)Cc1ccccn1 TS36960 [0,1,0,0,0,1|2,0,0]=4 595 B10R1.18 CC(C)Cc1cccnc1 TS06005 [0,1,0,0,0,1|2,0,0]=4 596 B10R1.18 CC(C)Cc1ccncc1 TS06006 [0,1,0,0,0,1|2,0,0]=4 597 B10R1.18 CC(C)Cc1cnccn1 TS06100 [0,1,0,0,0,1|2,0,0]=4 598 B10R1.18 CC(Cc1ccccc1)Br TS55076 [0,1,0,0,0,1|2,0,0]=4 599 B10R1.18 CC(Cc1ccccc1)N TS06010 [0,1,0,0,0,1|1,0,0]=3 600 B10R1.18 CC(Cc1ccccc1)O TS47018 [0,1,0,0,0,1|2,0,0]=4 601 B10R1.18 CC(Cc1ccccn1)N TS46983 [0,1,0,0,0,1|1,0,0]=3 602 B10R1.18 CC(Cc1cccnc1)N TS00050 [0,1,0,0,0,1|1,0,0]=3 603 B10R1.18 C[C@@H](Cc1ccccc1)N TS36940 [0,1,0,0,0,1|1,0,0]=3 604 B10R1.18 C[C@@H](Cc1ccccc1)N TS66757 [0,1,0,0,0,1|1,0,0]=3 605 B10R1.18 c1ccc(cc1)CC(=O)N TS36936 [0,1,0,0,0,1|1,0,1]=4 606 B10R1.18 c1ccc(cc1)CC(=S)N TS41053 [0,1,0,0,0,1|1,0,1]=4 607 B10R1.18 c1ccnc(c1)CC(=O)N TS06050 [0,1,0,0,0,1|1,0,1]=4 608 B10R1.18 c1cnccc1CC(=O)N TS36994 [0,1,0,0,0,1|1,0,1]=4 609 B10R1.54 Cc1nc(cs1)CC(=O)N TS10707 [0,2,0,0,0,0|1,0,1]=4 610 B10R1.130 Cc1c(sc(n1)C)CCN TS41678 [0,2,0,0,0,0|2,0,0]=4 611 B10R1.130 Cc1c(sc(n1)N)CCN TS10889 [0,2,0,0,0,0|2,0,0]=4 612 B10R1.11 CCOC(=O)c1ccsc1 TS41625 [0,2,0,0,0,0|1,0,1]=4 613 B10R1.11 c1cscc1C(=O)CC#N TS86030 [0,2,0,0,0,0|0,0,2]=4 614 B10R1.23 c1cscc1C(C(=O)O)N TS16452 [0,2,0,0,0,0|1,0,1]=4 615 B10R1.23 c1cscc1[C@@H](C(=O)O)N TS41778 [0,2,0,0,0,0|1,0,1]=4 616 B10R1.23 c1cscc1[C@H](C(=O)O)N TS41780 [0,2,0,0,0,0|1,0,1]=4 617 B10R1.21 CCCCCc1ccsc1 TS41456 [0,2,0,0,0,0|1,0,0]=3 618 B10R1.21 c1cc(oc1)CSCCN TS10886 [0,2,0,0,0,0|2,0,0]=4 619 B10R1.27 COC(=O)Cc1ccsc1 TS10692 [0,2,0,0,0,0|1,0,1]=4 620 B10R1.27 c1c(nc[nH]1)C[C@@H](CO)N TS21616 [0,2,0,0,0,0|2,0,0]=4 621 B10R1.27 c1c(nc[nH]1)C[C@H](CO)N TS21615 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.27 c1cscc1CC(=O)NN TS10699 [0,2,0,0,0,0|0,0,1]=3 623 B10R1.29 Cc1c(cn[nH]1)CCCN TS06386 [0,2,0,0,0,0|2,0,0]=4 624 B10R1.29 Cc1nccn1CCCN TS06385 [0,2,0,0,0,0|2,0,0]=4 625 B10R1.66 c1c[nH]cc1CCC(=O)O TS06358 [0,2,0,0,0,0|2,0,0]=4 626 B10R1.187 C1=CC(=O)N(C1=O)CCN TS63343 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.187 C1C(=O)N(C(=O)S1)CCN TS18376 [0,2,0,0,0,0|1,0,1]=4 628 B8R1.2 c1cc(cnc1)CN TS02883 [0,0,1,1,0,0|1,0,1]=4 629 B8R1.2 c1ccc(cc1)CN TS01379 [0,0,1,1,0,0|1,0,1]=4 630 B8R1.2 c1ccc(cc1)CN TS40124 [0,0,1,1,0,0|1,0,1]=4 631 B8R1.2 c1cnccc1CN TS31773 [0,0,1,1,0,0|1,0,1]=4 632 B10R2.6 c1ccc(cc1)C2CC2 TS32348 [0,0,0,1,0,1|2,0,0]=4 633 B10R2.6 c1ccc(cc1)C2CO2 TS04809 [0,0,0,1,0,1|2,0,0]=4 634 B10R2.6 c1ccc(cc1)[C@@H]2CO2 TS59486 [0,0,0,1,0,1|2,0,0]=4 635 B10R2.6 c1ccc(cc1)[C@H]2CO2 TS59491 [0,0,0,1,0,1|2,0,0]=4 636 B10R2.7 C1CC2=C(C1)CC=CC2 TS04827 [0,0,0,1,0,1|2,0,0]=4 637 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [0,0,0,1,0,1|2,0,0]=4 638 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [0,0,0,1,0,1|1,0,0]=3 639 B10R2.7 c1ccc2c(c1)CCC2 TS77139 [0,0,0,1,0,1|2,0,0]=4 640 B10R2.7 c1ccc2c(c1)CCN2 TS00565 [0,0,0,1,0,1|1,0,0]=3 641 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [0,0,0,1,0,1|2,0,0]=4 642 B10R2.7 c1ccc2c(c1)CNN2 TS04812 [0,0,0,1,0,1|2,0,0]=4 643 B10R2.7 c1ccc2c(c1)NCN2 TS04813 [0,0,0,1,0,1|2,0,0]=4 644 B10R2.320 c1ccc2c(c1)CC2Br TS48022 [0,0,0,1,0,1|2,0,0]=4 645 B10R2.14 c1c(nc(s1)N)C2CC2 TS37405 [0,1,0,1,0,0|2,0,0]=4 646 B10R2.32 C1Cc2c(ssc2=S)C1 TS13568 [0,1,0,1,0,0|2,0,0]=4 647 B10R2.32 c1c2c(c[nH]1)C(=O)CC2 TS04860 [0,1,0,1,0,0|2,0,0]=4