0 B8R1.8 CCCC1=NCCN1 TS04325 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.8 CCCc1[nH]ccn1 TS02464 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.8 CCCc1ccco1 TS31836 [0,0,0,0,0,0|2,1,0]=3 3 B8R1.8 CCCc1cccs1 TS36171 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.8 CCCc1ccsc1 TS36172 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.8 CCCn1cncn1 TS31877 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 CCNc1cccs1 TS36245 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.8 CCOc1nccs1 TS05470 [0,0,0,0,0,0|0,0,0]=0 8 B8R1.8 CCSc1[nH]nnn1 TS36491 [0,0,0,0,0,0|3,1,0]=4 9 B8R1.8 CNCc1ccco1 TS04251 [0,0,0,0,0,0|3,1,0]=4 10 B8R1.8 CNCc1ccco1 TS07391 [0,0,0,0,0,0|3,1,0]=4 11 B8R1.8 CNCc1cccs1 TS01562 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.8 CNCc1cccs1 TS11775 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.8 CNCc1ccon1 TS04289 [0,0,0,0,0,0|4,0,0]=4 14 B8R1.8 CNCc1cscn1 TS36317 [0,0,0,0,0,0|4,0,0]=4 15 B8R1.8 CNCc1nccs1 TS36316 [0,0,0,0,0,0|2,0,0]=2 16 B8R1.8 COCc1[nH]ccn1 TS88224 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.8 COCc1ccco1 TS31900 [0,0,0,0,0,0|3,1,0]=4 18 B8R1.8 CSCc1ccco1 TS05367 [0,0,0,0,0,0|3,1,0]=4 19 B8R1.8 c1c(nc[nH]1)CCO TS65017 [0,0,0,0,0,0|4,0,0]=4 20 B8R1.8 c1c(ncs1)CCN TS36318 [0,0,0,0,0,0|4,0,0]=4 21 B8R1.8 c1c[nH]nc1CCN TS31879 [0,0,0,0,0,0|4,0,0]=4 22 B8R1.8 c1cc(oc1)CCO TS31915 [0,0,0,0,0,0|3,1,0]=4 23 B8R1.8 c1cc(sc1)C=NO TS05263 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.8 c1cc(sc1)CC#N TS65657 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.8 c1cc(sc1)CCBr TS51245 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.8 c1cc(sc1)CCN TS46632 [0,0,0,0,0,0|3,0,0]=3 27 B8R1.8 c1cc(sc1)CCN TS65662 [0,0,0,0,0,0|3,0,0]=3 28 B8R1.8 c1cc(sc1)CCN TS93665 [0,0,0,0,0,0|3,0,0]=3 29 B8R1.8 c1cc(sc1)CCO TS65661 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.8 c1cc(sc1)CNN TS86129 [0,0,0,0,0,0|4,0,0]=4 31 B8R1.8 c1cc(sc1)N=C=O TS02013 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.8 c1cnc([nH]1)CCO TS04288 [0,0,0,0,0,0|3,0,0]=3 33 B8R1.8 c1cnn(c1)CCBr TS01977 [0,0,0,0,0,0|4,0,0]=4 34 B8R1.8 c1cnn(c1)CCCl TS36568 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.8 c1cnn(c1)CCO TS04285 [0,0,0,0,0,0|4,0,0]=4 36 B8R1.8 c1cnn(n1)CCO TS04377 [0,0,0,0,0,0|4,0,0]=4 37 B8R1.8 c1coc(n1)CC#N TS04137 [0,0,0,0,0,0|2,1,1]=4 38 B8R1.8 c1coc(n1)CCN TS00111 [0,0,0,0,0,0|2,1,0]=3 39 B8R1.8 c1csc(n1)CC#N TS90333 [0,0,0,0,0,0|2,0,1]=3 40 B8R1.8 c1csc(n1)CCN TS11967 [0,0,0,0,0,0|2,0,0]=2 41 B8R1.8 c1nc([nH]n1)CCN TS04300 [0,0,0,0,0,0|4,0,0]=4 42 B8R1.8 c1nnc(s1)CCN TS89796 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.1 C#Cc1cccs1 TS59968 [1,0,0,0,0,0|1,0,2]=4 44 B7R1.1 CCC1=NCCO1 TS03816 [1,0,0,0,0,0|0,1,2]=4 45 B7R1.1 CCc1[nH]ccn1 TS31379 [1,0,0,0,0,0|1,0,0]=2 46 B7R1.1 CCc1cc[nH]c1 TS03698 [1,0,0,0,0,0|3,0,0]=4 47 B7R1.1 CCc1ccc[nH]1 TS03700 [1,0,0,0,0,0|1,0,1]=3 48 B7R1.1 CCc1ccco1 TS31365 [1,0,0,0,0,0|1,1,0]=3 49 B7R1.1 CCc1cccs1 TS04335 [1,0,0,0,0,0|1,0,0]=2 50 B7R1.1 CCc1ccsc1 TS04333 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 CCc1nccs1 TS32027 [1,0,0,0,0,0|0,0,0]=1 52 B7R1.1 CCn1cccc1 TS03701 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.1 CCn1cccn1 TS77180 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.1 CCn1cncn1 TS00433 [1,0,0,0,0,0|3,0,0]=4 55 B7R1.1 CNc1cncs1 TS91086 [1,0,0,0,0,0|3,0,0]=4 56 B7R1.1 CNc1cocn1 TS01625 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.1 CNc1cocn1 TS71270 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.1 CNc1ncco1 TS05943 [1,0,0,0,0,0|1,1,0]=3 59 B7R1.1 COC1=NCCC1 TS03819 [1,0,0,0,0,0|1,0,2]=4 60 B7R1.1 COC1=NCCN1 TS02909 [1,0,0,0,0,0|1,0,2]=4 61 B7R1.1 COc1ccco1 TS03757 [1,0,0,0,0,0|1,1,0]=3 62 B7R1.1 COc1cccs1 TS39279 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.1 COc1ccsc1 TS70649 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.1 CSC1=NCCS1 TS00519 [1,0,0,0,0,0|0,1,2]=4 65 B7R1.1 CSc1c[nH]cn1 TS04457 [1,0,0,0,0,0|2,1,0]=4 66 B7R1.1 CSc1cccs1 TS05614 [1,0,0,0,0,0|1,1,0]=3 67 B7R1.1 CSc1nccs1 TS36627 [1,0,0,0,0,0|0,1,0]=2 68 B7R1.1 c1[nH]nc(n1)CN TS31419 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.1 c1c(nc[nH]1)CCl TS10267 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.1 c1c(nc[nH]1)CO TS70769 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.1 c1c(nco1)CO TS90371 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.1 c1c(ncs1)CN TS09978 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.1 c1c(ncs1)CN TS88491 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.1 c1c(ncs1)CO TS04539 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.1 c1c(scn1)CO TS71321 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.1 c1c[nH]nc1CO TS88889 [1,0,0,0,0,0|3,0,0]=4 77 B7R1.1 c1cc([nH]c1)CN TS31377 [1,0,0,0,0,0|2,0,1]=4 78 B7R1.1 c1cc(oc1)CN TS03749 [1,0,0,0,0,0|2,1,0]=4 79 B7R1.1 c1cc(oc1)CO TS03766 [1,0,0,0,0,0|2,1,0]=4 80 B7R1.1 c1cc(oc1)CS TS32087 [1,0,0,0,0,0|2,1,0]=4 81 B7R1.1 c1cc(sc1)C#N TS65659 [1,0,0,0,0,0|2,0,1]=4 82 B7R1.1 c1cc(sc1)C=O TS65660 [1,0,0,0,0,0|2,0,1]=4 83 B7R1.1 c1cc(sc1)CCl TS01778 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.1 c1cc(sc1)CN TS65663 [1,0,0,0,0,0|2,0,0]=3 85 B7R1.1 c1cc(sc1)CO TS32088 [1,0,0,0,0,0|2,0,0]=3 86 B7R1.1 c1cc(sc1)CS TS05613 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.1 c1cnc([nH]1)C#N TS87385 [1,0,0,0,0,0|2,0,1]=4 88 B7R1.1 c1cnc([nH]1)C#N TS92194 [1,0,0,0,0,0|2,0,1]=4 89 B7R1.1 c1cnc([nH]1)C=O TS77140 [1,0,0,0,0,0|2,0,1]=4 90 B7R1.1 c1cnc([nH]1)CCl TS10266 [1,0,0,0,0,0|2,0,0]=3 91 B7R1.1 c1cnc([nH]1)CN TS88455 [1,0,0,0,0,0|2,0,0]=3 92 B7R1.1 c1cnc([nH]1)CO TS03774 [1,0,0,0,0,0|2,0,0]=3 93 B7R1.1 c1cnc([nH]1)CO TS05944 [1,0,0,0,0,0|2,0,0]=3 94 B7R1.1 c1cnc([nH]1)NN TS03777 [1,0,0,0,0,0|3,0,0]=4 95 B7R1.1 c1cnn(c1)CO TS59362 [1,0,0,0,0,0|3,0,0]=4 96 B7R1.1 c1coc(n1)C=O TS09404 [1,0,0,0,0,0|1,1,1]=4 97 B7R1.1 c1coc(n1)CCl TS55279 [1,0,0,0,0,0|1,1,0]=3 98 B7R1.1 c1coc(n1)CO TS89980 [1,0,0,0,0,0|1,1,0]=3 99 B7R1.1 c1conc1CCl TS09441 [1,0,0,0,0,0|3,0,0]=4 100 B7R1.1 c1conc1CN TS03776 [1,0,0,0,0,0|3,0,0]=4 101 B7R1.1 c1conc1CO TS31471 [1,0,0,0,0,0|3,0,0]=4 102 B7R1.1 c1csc(n1)C#N TS90840 [1,0,0,0,0,0|1,0,1]=3 103 B7R1.1 c1csc(n1)C=O TS19605 [1,0,0,0,0,0|1,0,1]=3 104 B7R1.1 c1csc(n1)C=O TS65653 [1,0,0,0,0,0|1,0,1]=3 105 B7R1.1 c1csc(n1)CCl TS55280 [1,0,0,0,0,0|1,0,0]=2 106 B7R1.1 c1csc(n1)CN TS04455 [1,0,0,0,0,0|1,0,0]=2 107 B7R1.1 c1csc(n1)CN TS09110 [1,0,0,0,0,0|1,0,0]=2 108 B7R1.1 c1csc(n1)CO TS01720 [1,0,0,0,0,0|1,0,0]=2 109 B7R1.1 c1csnc1CN TS88909 [1,0,0,0,0,0|3,0,0]=4 110 B7R1.1 c1nc(no1)CCl TS04764 [1,0,0,0,0,0|3,0,0]=4 111 B7R1.1 c1nc(no1)CN TS31475 [1,0,0,0,0,0|3,0,0]=4 112 B7R1.1 c1nnc(o1)CN TS03809 [1,0,0,0,0,0|2,1,0]=4 113 B7R1.1 c1nnc(s1)CN TS88465 [1,0,0,0,0,0|2,0,0]=3 114 B7R1.1 c1nnc(s1)CO TS88462 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.7 CCCC1=NNC(=O)C1 TS36131 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.7 CCCc1csc(n1)N TS37632 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.7 CCCc1nnc(s1)N TS40097 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.7 CCOC1=CC(=O)CC1 TS36121 [0,1,0,0,0,0|2,0,1]=4 119 B9R1.7 CCOC1C=CC(=O)O1 TS36280 [0,1,0,0,0,0|1,1,1]=4 120 B9R1.7 CCOc1[nH]c(nn1)C TS36231 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.7 CCOc1nc(cs1)Br TS43390 [0,1,0,0,0,0|0,0,0]=1 122 B9R1.7 CCOc1nc(ns1)N TS40314 [0,1,0,0,0,0|1,0,0]=2 123 B9R1.7 CCSc1nc(ns1)N TS11444 [0,1,0,0,0,0|1,1,0]=3 124 B9R1.7 CCSc1nc(ns1)O TS11611 [0,1,0,0,0,0|1,1,0]=3 125 B9R1.7 CCSc1nnc(s1)N TS11443 [0,1,0,0,0,0|1,1,0]=3 126 B9R1.7 COCc1nnc(s1)N TS40313 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.7 COCc1nnc(s1)S TS11610 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.7 Cc1c[nH]c(n1)CCN TS85318 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.7 Cc1csc(n1)CC#N TS06295 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.7 c1c(csc1CCN)Br TS38925 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.7 c1c(sc(n1)CC#N)Br TS86499 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.7 c1c(sc(n1)CC#N)Cl TS85891 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.7 c1cc(sc1CCN)Br TS26924 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.7 c1cc(sc1CCN)Cl TS53962 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.11 CCC(=O)c1ccco1 TS07974 [0,1,0,0,0,0|2,1,0]=4 136 B9R1.11 CCC(=O)c1cccs1 TS37392 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.11 CCC(=O)c1nccs1 TS37503 [0,1,0,0,0,0|1,0,0]=2 138 B9R1.11 CCC(C)c1nccs1 TS06614 [0,1,0,0,0,0|1,0,0]=2 139 B9R1.11 COC(=O)c1[nH]ccn1 TS87683 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.11 COC(=O)c1cccs1 TS37577 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.11 COC(=O)c1cccs1 TS37579 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.11 c1cc(sc1)C(=O)CBr TS47079 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.11 c1cc(sc1)C(=O)CCl TS42252 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.11 c1cc(sc1)C(CO)N TS91316 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.11 c1csc(n1)C(=O)CBr TS00230 [0,1,0,0,0,0|2,0,0]=3 146 B9R1.11 c1csc(n1)C(=O)NN TS40074 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.12 CCCCc1[nH]ccn1 TS36021 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.12 CCCCc1ccco1 TS35998 [0,1,0,0,0,0|2,1,0]=4 149 B9R1.12 CCCCc1cccs1 TS37432 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.12 CCCSc1[nH]cnn1 TS40094 [0,1,0,0,0,0|2,1,0]=4 151 B9R1.12 CCSCc1ccco1 TS37624 [0,1,0,0,0,0|1,2,0]=4 152 B9R1.12 CNCCc1c[nH]cn1 TS53960 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.12 CNCCc1cccs1 TS06619 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.12 c1c(nc[nH]1)CCCN TS36075 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.12 c1cnn(c1)CCCN TS05096 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.13 CC(=O)Nc1cccs1 TS08939 [0,1,0,0,0,0|2,0,1]=4 157 B9R1.13 CC(=O)Nc1nccs1 TS37583 [0,1,0,0,0,0|1,0,1]=3 158 B9R1.13 CC(C)Cc1nccs1 TS06620 [0,1,0,0,0,0|1,0,0]=2 159 B9R1.13 CC(Cc1cccs1)O TS37625 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.13 CN(C)Cc1cccs1 TS06616 [0,1,0,0,0,0|3,0,0]=4 161 B9R1.13 C[C@@H](Cc1c[nH]cn1)N TS35022 [0,1,0,0,0,0|3,0,0]=4 162 B9R1.13 C[C@H](Cc1c[nH]cn1)N TS35021 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.13 c1csc(n1)CC(=O)O TS88799 [0,1,0,0,0,0|2,0,1]=4 164 B9R1.33 CCOc1c(nco1)C TS36218 [0,1,0,0,0,0|2,1,0]=4 165 B9R1.33 CNCc1nccn1C TS05094 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.33 Cc1ccsc1CNC TS06621 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.1 CCC=CC=CC=O TS04199 [0,0,1,0,0,0|2,1,0]=4 168 B7R0.1 CCCC=CC=CC TS31845 [0,0,1,0,0,0|3,0,0]=4 169 B7R0.7 CCCC(=O)OC=C TS04453 [0,0,1,0,0,0|2,1,0]=4 170 B7R0.7 CCOC(=NC#N)C TS64892 [0,0,1,0,0,0|2,0,1]=4 171 B7R0.7 CCOC(=O)C=CC TS04436 [0,0,1,0,0,0|1,1,1]=4 172 B7R0.7 CCOC(=O)C=CI TS52258 [0,0,1,0,0,0|2,1,0]=4 173 B7R0.7 CCOC(=O)CC=C TS04444 [0,0,1,0,0,0|1,1,0]=3 174 B7R0.7 CCOC(=O)N=C=O TS08726 [0,0,1,0,0,0|1,1,1]=4 175 B7R0.7 CCOC(=O)N=C=S TS08471 [0,0,1,0,0,0|1,1,1]=4 176 B9R2.2 c1cnc([nH]1)C2CC2 TS87572 [0,0,0,1,0,0|2,0,0]=3 177 B9R2.3 c1cn2c(n1)CCC2 TS31779 [0,0,0,1,0,0|2,0,0]=3 178 B9R1.8 CCCc1ccccc1 TS04832 [0,0,0,0,0,1|3,0,0]=4 179 B9R1.8 CCCc1ccccn1 TS85359 [0,0,0,0,0,1|2,0,0]=3 180 B9R1.8 CCCc1cnccn1 TS59984 [0,0,0,0,0,1|2,0,0]=3 181 B9R1.8 CCNc1ccccc1 TS04869 [0,0,0,0,0,1|3,0,0]=4 182 B9R1.8 CCOC1CCC=CO1 TS36292 [0,0,0,0,0,1|1,1,1]=4 183 B9R1.8 CCOc1ccccc1 TS04896 [0,0,0,0,0,1|2,0,0]=3 184 B9R1.8 CCOc1ccccn1 TS55309 [0,0,0,0,0,1|1,0,0]=2 185 B9R1.8 CCOc1ccncc1 TS04974 [0,0,0,0,0,1|2,0,0]=3 186 B9R1.8 CCOc1cnccn1 TS05010 [0,0,0,0,0,1|1,0,0]=2 187 B9R1.8 CCSc1ccccc1 TS06299 [0,0,0,0,0,1|2,1,0]=4 188 B9R1.8 CNCc1ccccn1 TS51966 [0,0,0,0,0,1|3,0,0]=4 189 B9R1.8 CNCc1cccnc1 TS02609 [0,0,0,0,0,1|3,0,0]=4 190 B9R1.8 CNCc1ccncn1 TS32568 [0,0,0,0,0,1|3,0,0]=4 191 B9R1.8 CNCc1cnccn1 TS01556 [0,0,0,0,0,1|3,0,0]=4 192 B9R1.8 CNCc1ncccn1 TS90445 [0,0,0,0,0,1|3,0,0]=4 193 B9R1.8 COCc1ccccn1 TS00518 [0,0,0,0,0,1|3,0,0]=4 194 B9R1.8 c1cc(cnc1)CCN TS41995 [0,0,0,0,0,1|3,0,0]=4 195 B9R1.8 c1cc(cnc1)CCN TS65667 [0,0,0,0,0,1|3,0,0]=4 196 B9R1.8 c1cc(cnc1)CCO TS39614 [0,0,0,0,0,1|3,0,0]=4 197 B9R1.8 c1ccnc(c1)CCCl TS37532 [0,0,0,0,0,1|3,0,0]=4 198 B9R1.8 c1ccnc(c1)CCN TS04914 [0,0,0,0,0,1|3,0,0]=4 199 B9R1.8 c1ccnc(c1)CCN TS17997 [0,0,0,0,0,1|3,0,0]=4 200 B9R1.8 c1ccnc(c1)CCO TS04967 [0,0,0,0,0,1|3,0,0]=4 201 B9R1.8 c1cnc(cn1)CCN TS32564 [0,0,0,0,0,1|3,0,0]=4 202 B9R1.8 c1cnc(cn1)CCS TS37406 [0,0,0,0,0,1|3,0,0]=4 203 B9R1.8 c1cncnc1CCN TS86707 [0,0,0,0,0,1|3,0,0]=4 204 B6R0.6 CCCC=CC=O TS31421 [1,0,1,0,0,0|1,1,0]=4 205 B6R0.6 CCCC=CC=O TS31438 [1,0,1,0,0,0|1,1,0]=4 206 B6R0.6 CCCC=CC=O TS31444 [1,0,1,0,0,0|1,1,0]=4 207 B6R0.6 CCCSC=CC TS04637 [1,0,1,0,0,0|1,0,1]=4 208 B6R0.6 CCOC=CC#N TS03748 [1,0,1,0,0,0|0,0,2]=4 209 B6R0.1 CCC(=O)OC=C TS31498 [1,0,1,0,0,0|1,1,0]=4 210 B6R0.1 CCNC(=O)C=C TS03826 [1,0,1,0,0,0|1,1,0]=4 211 B6R0.1 CCOC(=O)C=C TS33216 [1,0,1,0,0,0|0,1,0]=3 212 B6R0.1 CCOC(=O)C=O TS56148 [1,0,1,0,0,0|1,1,0]=4 213 B6R0.1 CCOC(=S)S[K] TS01641 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.1 CCOC(=S)S[Na] TS39945 [1,0,1,0,0,0|2,0,0]=4 215 B6R0.1 COC(=O)CC=C TS31502 [1,0,1,0,0,0|1,1,0]=4 216 B6R1.2 CC1=NCCS1 TS03913 [2,0,0,0,0,0|0,0,2]=4 217 B6R1.2 Cc1[nH]ccn1 TS59974 [2,0,0,0,0,0|1,0,0]=3 218 B6R1.2 Cc1c[nH]cn1 TS03464 [2,0,0,0,0,0|2,0,0]=4 219 B6R1.2 Cc1cc[nH]n1 TS70653 [2,0,0,0,0,0|2,0,0]=4 220 B6R1.2 Cc1ccco1 TS03463 [2,0,0,0,0,0|1,1,0]=4 221 B6R1.2 Cc1cccs1 TS65607 [2,0,0,0,0,0|1,0,0]=3 222 B6R1.2 Cc1ccsn1 TS39717 [2,0,0,0,0,0|2,0,0]=4 223 B6R1.2 Cc1cncs1 TS33187 [2,0,0,0,0,0|2,0,0]=4 224 B6R1.2 Cc1cscn1 TS71246 [2,0,0,0,0,0|2,0,0]=4 225 B6R1.2 Cc1nc[nH]n1 TS70651 [2,0,0,0,0,0|2,0,0]=4 226 B6R1.2 Cn1cccn1 TS47002 [2,0,0,0,0,0|2,0,0]=4 227 B6R1.2 c1cc(sc1)Br TS55181 [2,0,0,0,0,0|2,0,0]=4 228 B6R1.2 c1cc(sc1)Cl TS04771 [2,0,0,0,0,0|2,0,0]=4 229 B6R1.2 c1cc(sc1)F TS01041 [2,0,0,0,0,0|2,0,0]=4 230 B6R1.2 c1cc(sc1)I TS07727 [2,0,0,0,0,0|2,0,0]=4 231 B6R1.2 c1cc(sc1)S TS39686 [2,0,0,0,0,0|1,1,0]=4 232 B6R1.2 c1cc(sc1)[Zn+] TS24604 [2,0,0,0,0,0|2,0,0]=4 233 B6R1.2 c1cnc([nH]1)Br TS55170 [2,0,0,0,0,0|2,0,0]=4 234 B6R1.2 c1cnc([nH]1)Cl TS08380 [2,0,0,0,0,0|2,0,0]=4 235 B6R1.2 c1cnc([nH]1)F TS03522 [2,0,0,0,0,0|2,0,0]=4 236 B6R1.2 c1cnc([nH]1)N TS47471 [2,0,0,0,0,0|2,0,0]=4 237 B6R1.2 c1cnc([nH]1)N TS47472 [2,0,0,0,0,0|2,0,0]=4 238 B6R1.2 c1cnc([nH]1)S TS03856 [2,0,0,0,0,0|1,1,0]=4 239 B6R1.2 c1coc(n1)I TS86803 [2,0,0,0,0,0|1,1,0]=4 240 B6R1.2 c1coc(n1)N TS00816 [2,0,0,0,0,0|1,1,0]=4 241 B6R1.2 c1csc(=S)s1 TS36879 [2,0,0,0,0,0|1,1,0]=4 242 B6R1.2 c1csc(n1)Br TS55175 [2,0,0,0,0,0|1,0,0]=3 243 B6R1.2 c1csc(n1)Cl TS00969 [2,0,0,0,0,0|1,0,0]=3 244 B6R1.2 c1csc(n1)N TS06140 [2,0,0,0,0,0|1,0,0]=3 245 B6R1.2 c1csc(n1)N TS56047 [2,0,0,0,0,0|1,0,0]=3 246 B6R1.2 c1csc(n1)S TS32304 [2,0,0,0,0,0|0,1,0]=3 247 B6R1.2 c1csc(n1)[Zn+] TS24766 [2,0,0,0,0,0|1,0,0]=3 248 B6R1.2 c1nc(sn1)Cl TS71480 [2,0,0,0,0,0|2,0,0]=4 249 B6R1.2 c1nc(sn1)N TS03215 [2,0,0,0,0,0|2,0,0]=4 250 B6R1.2 c1nnc(s1)Br TS00845 [2,0,0,0,0,0|2,0,0]=4 251 B6R1.2 c1nnc(s1)N TS08268 [2,0,0,0,0,0|2,0,0]=4 252 B6R1.2 c1nnc(s1)S TS32352 [2,0,0,0,0,0|1,1,0]=4 253 B8R0.1 CCOC(=O)C=CC=O TS36273 [0,1,1,0,0,0|1,1,0]=4 254 B8R1.1 CCc1[nH]cc(n1)C TS04212 [1,1,0,0,0,0|1,0,0]=3 255 B8R1.1 CCc1[nH]cc(n1)C TS45131 [1,1,0,0,0,0|1,0,0]=3 256 B8R1.1 CCc1cc([nH]n1)N TS03228 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.1 CCc1ccc(s1)C TS36173 [1,1,0,0,0,0|1,0,0]=3 258 B8R1.1 CCc1cnc(s1)N TS36320 [1,1,0,0,0,0|2,0,0]=4 259 B8R1.1 CCc1nc(cs1)C TS36248 [1,1,0,0,0,0|0,0,0]=2 260 B8R1.1 CCc1nc(sn1)Cl TS07513 [1,1,0,0,0,0|2,0,0]=4 261 B8R1.1 CCc1nc(sn1)N TS05473 [1,1,0,0,0,0|2,0,0]=4 262 B8R1.1 CCc1nnc(o1)N TS04382 [1,1,0,0,0,0|1,1,0]=4 263 B8R1.1 CCc1nnc(s1)N TS05474 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.1 CCn1cc(cn1)Br TS13620 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.1 CCn1cc(cn1)N TS31878 [1,1,0,0,0,0|2,0,0]=4 266 B8R1.1 COc1nc(cs1)Br TS17762 [1,1,0,0,0,0|0,0,0]=2 267 B8R1.1 COc1ncc(s1)Br TS09792 [1,1,0,0,0,0|0,0,0]=2 268 B8R1.1 CSc1nc(cs1)Br TS43733 [1,1,0,0,0,0|0,1,0]=3 269 B8R1.1 CSc1nc(ns1)Br TS43955 [1,1,0,0,0,0|1,1,0]=4 270 B8R1.1 CSc1nc(ns1)N TS40576 [1,1,0,0,0,0|1,1,0]=4 271 B8R1.1 CSc1nc(ns1)O TS07484 [1,1,0,0,0,0|1,1,0]=4 272 B8R1.1 CSc1nnc(s1)N TS40574 [1,1,0,0,0,0|1,1,0]=4 273 B8R1.1 Cc1c[nH]c(n1)CN TS46548 [1,1,0,0,0,0|2,0,0]=4 274 B8R1.1 Cc1cc(sc1)CN TS36247 [1,1,0,0,0,0|2,0,0]=4 275 B8R1.1 Cc1cc(sc1)CO TS05369 [1,1,0,0,0,0|2,0,0]=4 276 B8R1.1 Cc1ccc(s1)CN TS36252 [1,1,0,0,0,0|2,0,0]=4 277 B8R1.1 Cc1csc(n1)C#N TS85639 [1,1,0,0,0,0|1,0,1]=4 278 B8R1.1 Cc1csc(n1)C=O TS86523 [1,1,0,0,0,0|1,0,1]=4 279 B8R1.1 Cc1ncc(s1)OC TS05467 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.1 c1c(csc1CN)Br TS89953 [1,1,0,0,0,0|2,0,0]=4 281 B8R1.1 c1c(csc1CN)Cl TS87176 [1,1,0,0,0,0|2,0,0]=4 282 B8R1.1 c1c(csc1CO)Br TS59852 [1,1,0,0,0,0|2,0,0]=4 283 B8R1.1 c1c(csc1CO)Cl TS89056 [1,1,0,0,0,0|2,0,0]=4 284 B8R1.1 c1c(nc(s1)C#N)Cl TS85866 [1,1,0,0,0,0|1,0,1]=4 285 B8R1.1 c1c(nc(s1)C=O)Br TS51392 [1,1,0,0,0,0|1,0,1]=4 286 B8R1.1 c1c(sc(n1)C#N)Br TS87517 [1,1,0,0,0,0|1,0,1]=4 287 B8R1.1 c1c(sc(n1)C#N)Cl TS92925 [1,1,0,0,0,0|1,0,1]=4 288 B8R1.1 c1c(sc(n1)C=O)Br TS88563 [1,1,0,0,0,0|1,0,1]=4 289 B8R1.1 c1c(sc(n1)C=O)Cl TS88531 [1,1,0,0,0,0|1,0,1]=4 290 B8R1.1 c1c(sc(n1)CN)Br TS92842 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.1 c1c(sc(n1)CN)Cl TS92285 [1,1,0,0,0,0|1,0,0]=3 292 B8R1.1 c1c(sc(n1)CO)Br TS89097 [1,1,0,0,0,0|1,0,0]=3 293 B8R1.1 c1c(sc(n1)CO)Cl TS92193 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.1 c1cc(sc1CCl)Cl TS12342 [1,1,0,0,0,0|2,0,0]=4 295 B8R1.1 c1cc(sc1CN)Br TS16792 [1,1,0,0,0,0|2,0,0]=4 296 B8R1.1 c1cc(sc1CN)Cl TS07393 [1,1,0,0,0,0|2,0,0]=4 297 B8R1.1 c1cc(sc1CN)F TS91365 [1,1,0,0,0,0|2,0,0]=4 298 B8R1.1 c1cc(sc1CO)Br TS51585 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.1 c1cc(sc1CO)Cl TS40709 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.1 c1cc(sc1CO)F TS90950 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.7 B(c1nccs1)(O)O TS32828 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.7 CC(=C)c1nccs1 TS05103 [1,1,0,0,0,0|0,0,1]=3 303 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [1,1,0,0,0,0|1,0,1]=4 304 B8R1.7 CC(=O)c1cccs1 TS08262 [1,1,0,0,0,0|1,0,1]=4 305 B8R1.7 CC(=O)c1nccs1 TS08261 [1,1,0,0,0,0|0,0,1]=3 306 B8R1.7 CC(C)C1=CC=CC1 TS04141 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.7 CC(C)c1[nH]ccn1 TS04207 [1,1,0,0,0,0|1,0,0]=3 308 B8R1.7 CC(C)c1cc[nH]n1 TS04205 [1,1,0,0,0,0|2,0,0]=4 309 B8R1.7 CC(C)n1cccn1 TS04211 [1,1,0,0,0,0|2,0,0]=4 310 B8R1.7 CC(c1ccco1)N TS04253 [1,1,0,0,0,0|1,1,0]=4 311 B8R1.7 CC(c1ccco1)O TS31898 [1,1,0,0,0,0|1,1,0]=4 312 B8R1.7 CC(c1cscn1)N TS77127 [1,1,0,0,0,0|2,0,0]=4 313 B8R1.7 CN(C)c1cccs1 TS36249 [1,1,0,0,0,0|2,0,0]=4 314 B8R1.7 C[C@@H](c1cccs1)O TS05368 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.7 C[C@H](c1ccco1)O TS31904 [1,1,0,0,0,0|1,1,0]=4 316 B8R1.7 C[C@H](c1cccs1)O TS08060 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.7 c1coc(n1)C(Cl)Cl TS10106 [1,1,0,0,0,0|1,1,0]=4 318 B8R1.7 c1csc(n1)C(=N)N TS89084 [1,1,0,0,0,0|1,0,1]=4 319 B8R1.7 c1csc(n1)C(=O)O TS05448 [1,1,0,0,0,0|1,0,1]=4 320 B8R1.7 c1csc(n1)C(=O)O TS85376 [1,1,0,0,0,0|1,0,1]=4 321 B8R1.7 c1csc(n1)[N+](=O)[O-] TS36466 [1,1,0,0,0,0|2,0,0]=4 322 B8R1.11 CCn1c(ccn1)N TS86902 [1,1,0,0,0,0|2,0,0]=4 323 B8R1.11 Cn1ccnc1CCl TS12339 [1,1,0,0,0,0|2,0,0]=4 324 B8R1.11 Cn1ccnc1CCl TS36570 [1,1,0,0,0,0|2,0,0]=4 325 B8R1.11 Cn1ccnc1CN TS32741 [1,1,0,0,0,0|2,0,0]=4 326 B8R1.11 Cn1ccnc1CO TS00467 [1,1,0,0,0,0|2,0,0]=4 327 B8R1.11 c1csc(c1Br)CN TS51400 [1,1,0,0,0,0|2,0,0]=4 328 B8R1.11 c1csc(c1Br)CO TS51586 [1,1,0,0,0,0|2,0,0]=4 329 B8R1.11 c1csc(c1Cl)CN TS85965 [1,1,0,0,0,0|2,0,0]=4 330 B8R1.11 c1csc(c1Cl)CO TS88849 [1,1,0,0,0,0|2,0,0]=4 331 B10R1.1 CCOc1ccc(cc1)Br TS38042 [0,1,0,0,0,1|2,0,0]=4 332 B10R1.1 CCOc1ccc(cc1)C TS06082 [0,1,0,0,0,1|2,0,0]=4 333 B10R1.1 CCOc1ccc(cc1)Cl TS41721 [0,1,0,0,0,1|2,0,0]=4 334 B10R1.1 CCOc1ccc(cc1)F TS37363 [0,1,0,0,0,1|2,0,0]=4 335 B10R1.1 CCOc1ccc(cc1)I TS59517 [0,1,0,0,0,1|2,0,0]=4 336 B10R1.1 CCOc1ccc(cc1)N TS33162 [0,1,0,0,0,1|2,0,0]=4 337 B10R1.1 CCOc1ccc(cc1)N TS45702 [0,1,0,0,0,1|2,0,0]=4 338 B10R1.1 CCOc1ccc(cc1)O TS06257 [0,1,0,0,0,1|2,0,0]=4 339 B10R1.1 CCOc1ccc(cn1)Br TS71417 [0,1,0,0,0,1|1,0,0]=3 340 B10R1.1 CCOc1ccc(cn1)N TS37183 [0,1,0,0,0,1|1,0,0]=3 341 B10R1.1 CCOc1ccc(nc1)Br TS19313 [0,1,0,0,0,1|1,0,0]=3 342 B10R1.1 CCOc1ccc(nc1)Cl TS10915 [0,1,0,0,0,1|1,0,0]=3 343 B10R1.1 CCOc1ccn(=O)cc1 TS06374 [0,1,0,0,0,1|2,0,0]=4 344 B10R1.1 CCOc1cnc(cn1)C TS06278 [0,1,0,0,0,1|1,0,0]=3 345 B10R1.1 CCOc1cnc(nc1)Br TS90943 [0,1,0,0,0,1|2,0,0]=4 346 B10R1.1 CCOc1cnc(nc1)Cl TS87445 [0,1,0,0,0,1|2,0,0]=4 347 B10R1.1 CCOc1ncc(cn1)Br TS38377 [0,1,0,0,0,1|1,0,0]=3 348 B10R1.1 CCOc1ncc(cn1)F TS37552 [0,1,0,0,0,1|1,0,0]=3 349 B10R1.4 CCOc1c(cccn1)Br TS19321 [0,1,0,0,0,1|1,0,0]=3 350 B10R1.4 CCOc1c(cccn1)I TS27857 [0,1,0,0,0,1|1,0,0]=3 351 B10R1.4 CCOc1c(nccn1)C TS37192 [0,1,0,0,0,1|1,0,0]=3 352 B10R1.4 CCOc1ccccc1Br TS39657 [0,1,0,0,0,1|2,0,0]=4 353 B10R1.4 CCOc1ccccc1Cl TS41727 [0,1,0,0,0,1|2,0,0]=4 354 B10R1.4 CCOc1ccccc1F TS37374 [0,1,0,0,0,1|2,0,0]=4 355 B10R1.4 CCOc1ccccc1N TS37118 [0,1,0,0,0,1|2,0,0]=4 356 B10R1.4 CCOc1ccccc1N TS45700 [0,1,0,0,0,1|2,0,0]=4 357 B10R1.4 CCOc1ccccc1O TS06253 [0,1,0,0,0,1|2,0,0]=4 358 B10R1.4 CCOc1ccccc1S TS41408 [0,1,0,0,0,1|2,0,0]=4 359 B10R1.4 CCOc1cccnc1Br TS19312 [0,1,0,0,0,1|1,0,0]=3 360 B10R1.4 CCOc1cccnc1N TS37190 [0,1,0,0,0,1|1,0,0]=3 361 B10R1.4 CCOc1ccncc1Br TS19320 [0,1,0,0,0,1|2,0,0]=4 362 B10R1.4 CCOc1ccncc1N TS37196 [0,1,0,0,0,1|2,0,0]=4 363 B10R1.4 CCOc1cnccc1Br TS38195 [0,1,0,0,0,1|1,0,0]=3 364 B10R1.10 CCCc1cccc(n1)N TS55636 [0,1,0,0,0,1|2,0,0]=4 365 B10R1.10 CCNc1cc(ncn1)Cl TS10922 [0,1,0,0,0,1|2,0,0]=4 366 B10R1.10 CCNc1nccc(n1)Cl TS10926 [0,1,0,0,0,1|2,0,0]=4 367 B10R1.10 CCOc1cc(ccn1)Br TS39324 [0,1,0,0,0,1|1,0,0]=3 368 B10R1.10 CCOc1cc(ccn1)N TS39272 [0,1,0,0,0,1|1,0,0]=3 369 B10R1.10 CCOc1cc(cnc1)Br TS32931 [0,1,0,0,0,1|1,0,0]=3 370 B10R1.10 CCOc1cc(ncn1)C TS06273 [0,1,0,0,0,1|1,0,0]=3 371 B10R1.10 CCOc1cccc(c1)Br TS65957 [0,1,0,0,0,1|2,0,0]=4 372 B10R1.10 CCOc1cccc(c1)C TS06098 [0,1,0,0,0,1|2,0,0]=4 373 B10R1.10 CCOc1cccc(c1)F TS37372 [0,1,0,0,0,1|2,0,0]=4 374 B10R1.10 CCOc1cccc(c1)N TS37121 [0,1,0,0,0,1|2,0,0]=4 375 B10R1.10 CCOc1cccc(c1)O TS06261 [0,1,0,0,0,1|2,0,0]=4 376 B10R1.10 CCOc1cccc(c1)S TS41409 [0,1,0,0,0,1|2,0,0]=4 377 B10R1.10 CCOc1cccc(n1)Br TS19319 [0,1,0,0,0,1|1,0,0]=3 378 B10R1.10 CCOc1cccc(n1)Cl TS41836 [0,1,0,0,0,1|1,0,0]=3 379 B10R1.10 CCOc1cccc(n1)N TS37195 [0,1,0,0,0,1|1,0,0]=3 380 B10R1.10 CCOc1ccnc(c1)Cl TS10912 [0,1,0,0,0,1|2,0,0]=4 381 B10R1.10 CCOc1ccnc(c1)F TS06579 [0,1,0,0,0,1|2,0,0]=4 382 B10R1.10 CCOc1ccnc(c1)N TS06274 [0,1,0,0,0,1|2,0,0]=4 383 B10R1.10 CCOc1cncc(n1)C TS37188 [0,1,0,0,0,1|1,0,0]=3 384 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,1,0,0,0,1|2,0,0]=4 385 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,1,0,0,0,1|2,0,0]=4 386 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,1,0,0,0,1|2,0,0]=4 387 B10R1.15 CCC(C)c1cnccn1 TS37025 [0,1,0,0,0,1|2,0,0]=4 388 B10R1.15 CCC(c1cnccn1)N TS90912 [0,1,0,0,0,1|2,0,0]=4 389 B10R1.17 C=CCOc1ccccn1 TS36929 [0,1,0,0,0,1|1,0,1]=4 390 B10R1.17 CCCCc1ccccn1 TS06002 [0,1,0,0,0,1|2,0,0]=4 391 B10R1.17 CCCCc1cccnc1 TS06012 [0,1,0,0,0,1|2,0,0]=4 392 B10R1.17 CCCOc1ccccc1 TS37010 [0,1,0,0,0,1|2,0,0]=4 393 B10R1.17 CCOCc1ccccc1 TS37009 [0,1,0,0,0,1|2,0,0]=4 394 B10R1.17 CNCCc1ccccn1 TS37041 [0,1,0,0,0,1|2,0,0]=4 395 B10R1.17 CNCCc1ccccn1 TS63536 [0,1,0,0,0,1|2,0,0]=4 396 B10R1.17 CNCCc1ccccn1 TS65180 [0,1,0,0,0,1|2,0,0]=4 397 B10R1.17 CNCCc1cccnc1 TS08004 [0,1,0,0,0,1|2,0,0]=4 398 B10R1.17 COCCc1ccccn1 TS06192 [0,1,0,0,0,1|2,0,0]=4 399 B10R1.17 COCOc1ccccc1 TS06260 [0,1,0,0,0,1|2,0,0]=4 400 B10R1.17 COCOc1cccnc1 TS06375 [0,1,0,0,0,1|1,0,0]=3 401 B10R1.17 CSCOc1ccccc1 TS10467 [0,1,0,0,0,1|2,0,0]=4 402 B10R1.17 c1cc(cnc1)CCCO TS37116 [0,1,0,0,0,1|2,0,0]=4 403 B10R1.17 c1ccc(cc1)OCCBr TS55768 [0,1,0,0,0,1|2,0,0]=4 404 B10R1.17 c1ccc(cc1)OCCCl TS10798 [0,1,0,0,0,1|2,0,0]=4 405 B10R1.17 c1ccc(cc1)OCCN TS65630 [0,1,0,0,0,1|2,0,0]=4 406 B10R1.17 c1ccc(cc1)OCCO TS06243 [0,1,0,0,0,1|2,0,0]=4 407 B10R1.17 c1ccnc(c1)CCCCl TS10631 [0,1,0,0,0,1|2,0,0]=4 408 B10R1.17 c1ccnc(c1)CCCO TS02471 [0,1,0,0,0,1|2,0,0]=4 409 B10R1.17 c1ccnc(c1)NCCO TS45873 [0,1,0,0,0,1|2,0,0]=4 410 B10R1.17 c1ccnc(c1)SCCO TS10597 [0,1,0,0,0,1|1,1,0]=4 411 B10R1.18 CC(=O)Oc1cccnc1 TS06165 [0,1,0,0,0,1|1,0,1]=4 412 B10R1.18 CC(C)Cc1ccccn1 TS36960 [0,1,0,0,0,1|2,0,0]=4 413 B10R1.18 CC(C)Cc1cccnc1 TS06005 [0,1,0,0,0,1|2,0,0]=4 414 B10R1.18 CC(C)Cc1cnccn1 TS06100 [0,1,0,0,0,1|2,0,0]=4 415 B10R1.18 CC(C)Nc1cccnc1 TS64905 [0,1,0,0,0,1|2,0,0]=4 416 B10R1.18 CC(Cc1ccccn1)N TS46983 [0,1,0,0,0,1|2,0,0]=4 417 B10R1.18 CC(Cc1cccnc1)N TS00050 [0,1,0,0,0,1|2,0,0]=4 418 B10R1.14 CCC(C)c1nnc(s1)N TS10887 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.14 COC(=O)c1ncc(s1)N TS92889 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.16 CCCCc1ccc(s1)C TS10505 [0,2,0,0,0,0|2,0,0]=4 421 B10R1.16 CCCCc1nnc(s1)N TS10888 [0,2,0,0,0,0|2,0,0]=4 422 B10R1.16 CCCSc1nnc(s1)S TS17557 [0,2,0,0,0,0|1,1,0]=4 423 B10R1.54 CC(=O)Nc1ncc(s1)Br TS47340 [0,2,0,0,0,0|1,0,1]=4 424 B10R1.54 CC(=O)Nc1ncc(s1)Cl TS46191 [0,2,0,0,0,0|1,0,1]=4 425 B10R1.54 CC(C)Sc1nnc(s1)S TS17558 [0,2,0,0,0,0|1,1,0]=4 426 B10R1.54 Cc1csc(n1)CC(C)C TS41536 [0,2,0,0,0,0|1,0,0]=3 427 B10R1.54 Cc1csc(n1)NC(=O)C TS10706 [0,2,0,0,0,0|1,0,1]=4 428 B10R1.11 CCCC(=O)c1cccs1 TS10473 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.11 CCOC(=O)c1[nH]ccn1 TS64891 [0,2,0,0,0,0|1,0,0]=3 430 B10R1.11 CCOC(=O)c1c[nH]cn1 TS55896 [0,2,0,0,0,0|2,0,0]=4 431 B10R1.11 CCOC(=O)c1cc[nH]n1 TS56156 [0,2,0,0,0,0|2,0,0]=4 432 B10R1.11 CCOC(=O)c1ccc[nH]1 TS55898 [0,2,0,0,0,0|1,0,1]=4 433 B10R1.11 CCOC(=O)c1ccco1 TS06431 [0,2,0,0,0,0|1,1,0]=4 434 B10R1.11 CCOC(=O)c1cccs1 TS74499 [0,2,0,0,0,0|1,0,0]=3 435 B10R1.11 CCOC(=O)c1ccon1 TS86639 [0,2,0,0,0,0|2,0,0]=4 436 B10R1.11 CCOC(=O)c1cncs1 TS55510 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.11 CCOC(=O)c1cocn1 TS06565 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.11 CCOC(=O)c1cscn1 TS01480 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.11 CCOC(=O)c1ncco1 TS06570 [0,2,0,0,0,0|0,1,0]=3 440 B10R1.23 CC(C(=O)c1cccs1)Br TS49560 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.21 CCCCCc1cccs1 TS10504 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.29 Cn1ccnc1SCCO TS11015 [0,2,0,0,0,0|1,1,0]=4 443 B10R1.66 CC(=O)CSc1cccs1 TS13242 [0,2,0,0,0,0|1,1,0]=4 444 B10R1.66 c1csc(n1)CCC(=O)O TS41784 [0,2,0,0,0,0|1,0,1]=4 445 B8R1.2 CCc1ccccn1 TS55316 [0,0,1,1,0,0|2,0,0]=4 446 B8R1.2 CCc1cccnc1 TS04113 [0,0,1,1,0,0|2,0,0]=4 447 B8R1.2 CCc1cnccn1 TS31774 [0,0,1,1,0,0|2,0,0]=4 448 B8R1.4 Cc1ccnc(n1)S TS36140 [0,0,1,1,0,0|1,0,1]=4 449 B10R2.6 c1cnc(nc1)C2CC2 TS89415 [0,0,0,1,0,1|2,0,0]=4 450 B10R2.7 c1cc2c(nc1)CCC2 TS00545 [0,0,0,1,0,1|2,0,0]=4 451 B10R2.7 c1cc2c(nc1)NCC2 TS55646 [0,0,0,1,0,1|2,0,0]=4 452 B10R2.7 c1ccc2c(c1)CCO2 TS00572 [0,0,0,1,0,1|2,0,0]=4 453 B10R2.14 C1CC1c2nnc(s2)N TS37505 [0,1,0,1,0,0|2,0,0]=4