0 B9R1.11 CC(=NO)c1ccco1 TS05079 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.11 CC(c1ccco1)NO TS36224 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.11 CCC(=O)c1ccco1 TS07974 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.11 CCC(=O)c1cccs1 TS37392 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.11 CCC(=O)c1nccs1 TS37503 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.11 CCC(=O)n1ccnc1 TS32614 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.11 COC(=O)C1=CCCC1 TS85230 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.11 COC(=O)C1CC=CC1 TS05159 [0,0,0,0,0,0|1,0,2]=3 8 B9R1.11 COC(=O)C1CCCO1 TS02300 [0,0,0,0,0,0|0,0,4]=4 9 B9R1.11 COC(=O)[C@@H]1C=CCN1 TS11768 [0,0,0,0,0,0|1,0,2]=3 10 B9R1.11 COC(=O)c1[nH]ccn1 TS87683 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.11 COC(=O)c1c[nH]cn1 TS01547 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.11 COC(=O)c1c[nH]nc1 TS36104 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.11 COC(=O)c1cc[nH]n1 TS01548 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.11 COC(=O)c1ccc[nH]1 TS01549 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.11 COC(=O)c1ccco1 TS56258 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.11 COC(=O)c1cccs1 TS37577 [0,0,0,0,0,0|0,1,0]=1 17 B9R1.11 COC(=O)c1cccs1 TS37579 [0,0,0,0,0,0|0,1,0]=1 18 B9R1.11 COC(=O)c1ccns1 TS56200 [0,0,0,0,0,0|1,1,0]=2 19 B9R1.11 COC(=O)c1ccoc1 TS00187 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.11 COC(=O)c1ccsc1 TS37576 [0,0,0,0,0,0|2,0,0]=2 21 B9R1.11 COC(=O)c1cncs1 TS01561 [0,0,0,0,0,0|1,1,0]=2 22 B9R1.11 COC(=O)c1cnoc1 TS05236 [0,0,0,0,0,0|3,0,0]=3 23 B9R1.11 COC(=O)c1cscn1 TS01560 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.11 COC(=O)c1nc[nH]n1 TS01546 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.11 COC(=O)n1cccc1 TS05085 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.11 c1c(nco1)C(=O)NN TS05252 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.11 c1c(ncs1)C(=O)NN TS40077 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.11 c1c(ocn1)C(=O)NN TS05248 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.11 c1c(scn1)C(=O)NN TS40073 [0,0,0,0,0,0|3,1,0]=4 30 B9R1.11 c1cc([nH]c1)C(=O)CCl TS40119 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.11 c1cc(oc1)C(=N)NO TS36105 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.11 c1cc(oc1)C(=O)NN TS36103 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.11 c1cc(oc1)C(CN)O TS36223 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.11 c1cc(oc1)[C@@H](CN)O TS36216 [0,0,0,0,0,0|2,0,2]=4 35 B9R1.11 c1cc(sc1)C(=NO)N TS37586 [0,0,0,0,0,0|3,1,0]=4 36 B9R1.11 c1cc(sc1)C(=O)CBr TS47079 [0,0,0,0,0,0|2,1,0]=3 37 B9R1.11 c1cc(sc1)C(=O)CCl TS42252 [0,0,0,0,0,0|2,1,0]=3 38 B9R1.11 c1cc(sc1)C(=O)NN TS37584 [0,0,0,0,0,0|2,1,0]=3 39 B9R1.11 c1cn[nH]c1C(=O)NN TS86178 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.11 c1coc(n1)C(=O)NN TS05247 [0,0,0,0,0,0|3,0,0]=3 41 B9R1.11 c1csc(n1)C(=O)CBr TS00230 [0,0,0,0,0,0|3,1,0]=4 42 B9R1.11 c1csc(n1)C(=O)NN TS40074 [0,0,0,0,0,0|3,1,0]=4 43 B9R1.11 c1cscc1C(=O)CBr TS09435 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.11 c1cscc1C(=O)NN TS37589 [0,0,0,0,0,0|4,0,0]=4 45 B8R1.7 B(c1ccc[nH]1)(O)O TS07976 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.7 B(c1ccc[se]1)(O)O TS45885 [1,0,0,0,0,0|1,1,1]=4 47 B8R1.7 B(c1ccco1)(O)O TS94317 [1,0,0,0,0,0|1,0,1]=3 48 B8R1.7 C1C(=NC=N1)C(=O)O TS04278 [1,0,0,0,0,0|2,0,1]=4 49 B8R1.7 C1C=CC(N1)C(=O)O TS39629 [1,0,0,0,0,0|1,0,2]=4 50 B8R1.7 C1C=CC(O1)C(=O)O TS32038 [1,0,0,0,0,0|0,0,2]=3 51 B8R1.7 C1C=CCC1C(=O)O TS16735 [1,0,0,0,0,0|1,0,2]=4 52 B8R1.7 C1CC=C(C1)C(=O)O TS60207 [1,0,0,0,0,0|1,0,2]=4 53 B8R1.7 C1COC=C1C(=O)O TS32035 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.7 CC(=C)c1nccs1 TS05103 [1,0,0,0,0,0|2,1,0]=4 55 B8R1.7 CC(=O)C1=CCCC1 TS31835 [1,0,0,0,0,0|1,0,2]=4 56 B8R1.7 CC(=O)[c-]1cccc1 TS30755 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.7 CC(=O)c1[nH]ccn1 TS31817 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 CC(=O)c1c[nH]cn1 TS02951 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 CC(=O)c1cc[nH]c1 TS65832 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 CC(=O)c1ccc[nH]1 TS31792 [1,0,0,0,0,0|1,0,0]=2 61 B8R1.7 CC(=O)c1ccco1 TS04188 [1,0,0,0,0,0|0,0,0]=1 62 B8R1.7 CC(=O)c1cccs1 TS08262 [1,0,0,0,0,0|0,1,0]=2 63 B8R1.7 CC(=O)c1ccn[nH]1 TS07280 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 CC(=O)c1ccns1 TS05261 [1,0,0,0,0,0|1,1,0]=3 65 B8R1.7 CC(=O)c1ccsc1 TS65833 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.7 CC(=O)c1cncs1 TS46736 [1,0,0,0,0,0|1,1,0]=3 67 B8R1.7 CC(=O)c1cnns1 TS05327 [1,0,0,0,0,0|2,1,0]=4 68 B8R1.7 CC(=O)c1nccs1 TS08261 [1,0,0,0,0,0|1,1,0]=3 69 B8R1.7 CC(=O)n1cccn1 TS04194 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.7 CC(=O)n1ccnc1 TS93594 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.7 CC(C)C1=CC=CC1 TS04141 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.7 CC(c1ccco1)N TS04253 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.7 CC(c1ccco1)O TS31898 [1,0,0,0,0,0|0,0,2]=3 74 B8R1.7 CN(C)c1cccs1 TS36249 [1,0,0,0,0,0|2,1,0]=4 75 B8R1.7 C[C@@H](c1cccs1)O TS05368 [1,0,0,0,0,0|0,1,2]=4 76 B8R1.7 C[C@H](c1ccco1)O TS31904 [1,0,0,0,0,0|0,0,2]=3 77 B8R1.7 C[C@H](c1cccs1)O TS08060 [1,0,0,0,0,0|0,1,2]=4 78 B8R1.7 c1[nH]nc(n1)C(=O)O TS46767 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.7 c1c(cn[nH]1)C(=O)O TS00455 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.7 c1c(con1)C(=O)O TS56204 [1,0,0,0,0,0|3,0,0]=4 81 B8R1.7 c1c(nc[nH]1)C(=O)N TS93616 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.7 c1c(nc[nH]1)C(=O)O TS46950 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.7 c1c(nco1)C(=O)O TS00378 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.7 c1c(ncs1)C(=O)N TS01722 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.7 c1c(nn[nH]1)C(=O)O TS32000 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.7 c1c(nns1)C(=O)O TS59879 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.7 c1c(non1)C(=O)O TS59880 [1,0,0,0,0,0|3,0,0]=4 88 B8R1.7 c1c(nsn1)C(=O)O TS46770 [1,0,0,0,0,0|3,0,0]=4 89 B8R1.7 c1c(ocn1)C(=O)N TS04275 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.7 c1c(ocn1)C(=O)O TS01173 [1,0,0,0,0,0|1,0,0]=2 91 B8R1.7 c1c(ocn1)C(=S)N TS05325 [1,0,0,0,0,0|2,1,0]=4 92 B8R1.7 c1c[nH]nc1C(=O)N TS00453 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.7 c1c[nH]nc1C(=O)O TS87268 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.7 c1cc([nH]c1)C(=N)N TS31801 [1,0,0,0,0,0|3,0,0]=4 95 B8R1.7 c1cc([nH]c1)C(=O)N TS31822 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.7 c1cc([nH]c1)C(=O)O TS01673 [1,0,0,0,0,0|1,0,0]=2 97 B8R1.7 c1cc(oc1)C(=N)N TS31821 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.7 c1cc(oc1)C(=O)Cl TS36564 [1,0,0,0,0,0|1,0,0]=2 99 B8R1.7 c1cc(oc1)C(=O)N TS04237 [1,0,0,0,0,0|1,0,0]=2 100 B8R1.7 c1cc(oc1)C(=O)O TS04269 [1,0,0,0,0,0|0,0,0]=1 101 B8R1.7 c1cc(oc1)C(=S)N TS05264 [1,0,0,0,0,0|1,1,0]=3 102 B8R1.7 c1cc(oc1)[N+](=O)[O-] TS07968 [1,0,0,0,0,0|1,0,1]=3 103 B8R1.7 c1cc(sc1)C(=N)N TS08265 [1,0,0,0,0,0|2,1,0]=4 104 B8R1.7 c1cc(sc1)C(=N)N TS36145 [1,0,0,0,0,0|2,1,0]=4 105 B8R1.7 c1cc(sc1)C(=O)Cl TS07285 [1,0,0,0,0,0|1,1,0]=3 106 B8R1.7 c1cc(sc1)C(=O)N TS05268 [1,0,0,0,0,0|1,1,0]=3 107 B8R1.7 c1cc(sc1)C(=O)O TS59443 [1,0,0,0,0,0|0,1,0]=2 108 B8R1.7 c1cc(sc1)C(=O)[O-] TS36230 [1,0,0,0,0,0|0,1,1]=3 109 B8R1.7 c1cc(sc1)C(=O)[O-] TS40815 [1,0,0,0,0,0|0,1,1]=3 110 B8R1.7 c1cc(sc1)[N+](=O)[O-] TS09400 [1,0,0,0,0,0|1,1,1]=4 111 B8R1.7 c1cc[c-](c1)C(=O)O TS24808 [1,0,0,0,0,0|1,0,1]=3 112 B8R1.7 c1cnc([nH]1)C(=O)O TS46948 [1,0,0,0,0,0|2,0,0]=3 113 B8R1.7 c1cnoc1C(=O)Cl TS56205 [1,0,0,0,0,0|2,0,0]=3 114 B8R1.7 c1cnoc1C(=O)N TS04271 [1,0,0,0,0,0|2,0,0]=3 115 B8R1.7 c1cnoc1C(=S)N TS05329 [1,0,0,0,0,0|2,1,0]=4 116 B8R1.7 c1cnsc1C(=O)O TS05447 [1,0,0,0,0,0|1,1,0]=3 117 B8R1.7 c1coc(n1)C(=O)N TS04277 [1,0,0,0,0,0|2,0,0]=3 118 B8R1.7 c1coc(n1)C(=O)O TS39923 [1,0,0,0,0,0|1,0,0]=2 119 B8R1.7 c1coc(n1)C(=S)N TS05328 [1,0,0,0,0,0|2,1,0]=4 120 B8R1.7 c1cocc1C(=O)Cl TS36565 [1,0,0,0,0,0|3,0,0]=4 121 B8R1.7 c1cocc1C(=O)O TS02783 [1,0,0,0,0,0|2,0,0]=3 122 B8R1.7 c1cocc1C(=O)O TS13775 [1,0,0,0,0,0|2,0,0]=3 123 B8R1.7 c1conc1C(=O)O TS00353 [1,0,0,0,0,0|2,0,0]=3 124 B8R1.7 c1csc(n1)C(=O)O TS05448 [1,0,0,0,0,0|1,1,0]=3 125 B8R1.7 c1csc(n1)C(=O)O TS85376 [1,0,0,0,0,0|1,1,0]=3 126 B8R1.7 c1cscc1C(=O)Cl TS22828 [1,0,0,0,0,0|3,0,0]=4 127 B8R1.7 c1cscc1C(=O)O TS59444 [1,0,0,0,0,0|2,0,0]=3 128 B8R1.7 c1csnc1C(=O)O TS91622 [1,0,0,0,0,0|2,0,0]=3 129 B8R1.8 CCCc1ccco1 TS31836 [1,0,0,0,0,0|1,0,1]=3 130 B8R1.8 CCCc1cccs1 TS36171 [1,0,0,0,0,0|1,1,1]=4 131 B8R1.8 CCNc1cccs1 TS36245 [1,0,0,0,0,0|2,1,0]=4 132 B8R1.8 CNCc1ccco1 TS04251 [1,0,0,0,0,0|1,0,1]=3 133 B8R1.8 CNCc1ccco1 TS07391 [1,0,0,0,0,0|1,0,1]=3 134 B8R1.8 CNCc1cccs1 TS01562 [1,0,0,0,0,0|1,1,1]=4 135 B8R1.8 CNCc1cccs1 TS11775 [1,0,0,0,0,0|1,1,1]=4 136 B8R1.8 CNCc1ccno1 TS04292 [1,0,0,0,0,0|2,0,1]=4 137 B8R1.8 COCc1[nH]ccn1 TS88224 [1,0,0,0,0,0|2,0,1]=4 138 B8R1.8 COCc1ccco1 TS31900 [1,0,0,0,0,0|0,0,1]=2 139 B8R1.8 CSCc1ccco1 TS05367 [1,0,0,0,0,0|0,1,1]=3 140 B8R1.8 c1cc([nH]c1)C=NO TS04195 [1,0,0,0,0,0|3,0,0]=4 141 B8R1.8 c1cc(oc1)C=NO TS04241 [1,0,0,0,0,0|2,0,0]=3 142 B8R1.8 c1cc(oc1)CCO TS31915 [1,0,0,0,0,0|2,0,1]=4 143 B8R1.8 c1cc(sc1)C=NO TS05263 [1,0,0,0,0,0|2,1,0]=4 144 B10R1.9 COC(c1ccco1)OC TS06655 [0,1,0,0,0,0|0,0,2]=3 145 B10R1.11 C=COC(=O)c1ccco1 TS06233 [0,1,0,0,0,0|0,0,1]=2 146 B10R1.11 CC(=NOC)c1cccs1 TS10593 [0,1,0,0,0,0|1,1,0]=3 147 B10R1.11 CCCC(=O)c1ccco1 TS06270 [0,1,0,0,0,0|1,0,0]=2 148 B10R1.11 CCCC(=O)c1cccs1 TS10473 [0,1,0,0,0,0|1,1,0]=3 149 B10R1.11 CCCC(c1ccco1)O TS37386 [0,1,0,0,0,0|1,0,2]=4 150 B10R1.11 CCOC(=O)C1CC=CC1 TS32938 [0,1,0,0,0,0|1,0,2]=4 151 B10R1.11 CCOC(=O)c1[nH]ccn1 TS64891 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.11 CCOC(=O)c1c[nH]cn1 TS55896 [0,1,0,0,0,0|2,0,0]=3 153 B10R1.11 CCOC(=O)c1c[nH]nc1 TS55948 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.11 CCOC(=O)c1c[nH]nn1 TS37487 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.11 CCOC(=O)c1cc[nH]n1 TS56156 [0,1,0,0,0,0|2,0,0]=3 156 B10R1.11 CCOC(=O)c1ccc[nH]1 TS55898 [0,1,0,0,0,0|1,0,0]=2 157 B10R1.11 CCOC(=O)c1ccco1 TS06431 [0,1,0,0,0,0|0,0,0]=1 158 B10R1.11 CCOC(=O)c1cccs1 TS74499 [0,1,0,0,0,0|0,1,0]=2 159 B10R1.11 CCOC(=O)c1ccoc1 TS06430 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.11 CCOC(=O)c1ccon1 TS86639 [0,1,0,0,0,0|2,0,0]=3 161 B10R1.11 CCOC(=O)c1ccsc1 TS41625 [0,1,0,0,0,0|2,0,0]=3 162 B10R1.11 CCOC(=O)c1cnco1 TS64893 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.11 CCOC(=O)c1cncs1 TS55510 [0,1,0,0,0,0|1,1,0]=3 164 B10R1.11 CCOC(=O)c1cnns1 TS10966 [0,1,0,0,0,0|2,1,0]=4 165 B10R1.11 CCOC(=O)c1cnoc1 TS06571 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.11 CCOC(=O)c1cocn1 TS06565 [0,1,0,0,0,0|2,0,0]=3 167 B10R1.11 CCOC(=O)c1cscn1 TS01480 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.11 CCOC(=O)c1csnn1 TS10971 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.11 CCOC(=O)c1ncco1 TS06570 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.11 CCOC(=O)n1ccnc1 TS37348 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.11 c1cc(oc1)C(=O)CC#N TS05974 [0,1,0,0,0,0|1,0,1]=3 172 B10R1.11 c1cc(oc1)C(=O)N=C=S TS41265 [0,1,0,0,0,0|1,0,1]=3 173 B10R1.11 c1cc(sc1)C(=O)CC#N TS10061 [0,1,0,0,0,0|1,1,1]=4 174 B10R1.11 c1cc(sc1)C(=O)CC#N TS45765 [0,1,0,0,0,0|1,1,1]=4 175 B10R1.14 CCC(=O)c1ccc(o1)C TS06262 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.14 COC(=O)c1cc(c[nH]1)Br TS56284 [0,1,0,0,0,0|1,0,0]=2 177 B10R1.14 COC(=O)c1cc(c[nH]1)I TS28133 [0,1,0,0,0,0|1,0,0]=2 178 B10R1.14 COC(=O)c1cc(cs1)Br TS87681 [0,1,0,0,0,0|0,1,0]=2 179 B10R1.14 COC(=O)c1cc(cs1)Cl TS89093 [0,1,0,0,0,0|0,1,0]=2 180 B10R1.14 COC(=O)c1cc(cs1)N TS65120 [0,1,0,0,0,0|0,1,0]=2 181 B10R1.14 COC(=O)c1cc(no1)O TS59694 [0,1,0,0,0,0|1,0,0]=2 182 B10R1.14 COC(=O)c1cc(sc1)Br TS88321 [0,1,0,0,0,0|2,0,0]=3 183 B10R1.14 COC(=O)c1cc(sc1)Cl TS90596 [0,1,0,0,0,0|2,0,0]=3 184 B10R1.14 COC(=O)c1ccc(o1)Br TS56303 [0,1,0,0,0,0|0,0,0]=1 185 B10R1.14 COC(=O)c1ccc(s1)Br TS89180 [0,1,0,0,0,0|0,1,0]=2 186 B10R1.14 COC(=O)c1cnc(s1)Br TS93874 [0,1,0,0,0,0|1,1,0]=3 187 B10R1.14 COC(=O)c1cnc(s1)N TS08549 [0,1,0,0,0,0|1,1,0]=3 188 B10R1.14 COC(=O)c1csc(n1)Br TS23389 [0,1,0,0,0,0|2,0,0]=3 189 B10R1.14 COC(=O)c1csc(n1)Br TS85380 [0,1,0,0,0,0|2,0,0]=3 190 B10R1.14 COC(=O)c1csc(n1)Cl TS56249 [0,1,0,0,0,0|2,0,0]=3 191 B10R1.14 COC(=O)c1csc(n1)N TS08548 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.14 COC(=O)c1nc([nH]n1)N TS37541 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.14 COC(=O)c1ncc(s1)N TS92889 [0,1,0,0,0,0|1,1,0]=3 194 B10R1.14 Cc1cc([nH]c1)C(=O)OC TS02309 [0,1,0,0,0,0|1,0,0]=2 195 B10R1.14 Cc1cc(co1)C(=O)OC TS01149 [0,1,0,0,0,0|2,0,0]=3 196 B10R1.14 Cc1cc(no1)C(=O)OC TS37467 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.14 Cc1cc(sc1)C(=O)OC TS10694 [0,1,0,0,0,0|0,1,0]=2 198 B10R1.14 Cc1ccc(o1)C(=O)OC TS37341 [0,1,0,0,0,0|0,0,0]=1 199 B10R1.14 Cc1ccc(s1)C(=O)NN TS10710 [0,1,0,0,0,0|2,1,0]=4 200 B10R1.14 Cc1nc(co1)C(=O)OC TS06566 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.14 Cc1nc(co1)C(=O)OC TS41497 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.14 Cc1ncc(o1)C(=O)OC TS55460 [0,1,0,0,0,0|1,0,0]=2 203 B10R1.14 Cn1cc(nc1)C(=O)OC TS33076 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.14 Cn1cnc(n1)C(=O)OC TS88313 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.14 c1cc(oc1C(=O)NN)Br TS19887 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.14 c1cc(sc1C(=O)CBr)Br TS00842 [0,1,0,0,0,0|2,1,0]=4 207 B10R1.14 c1cc(sc1C(=O)CBr)Cl TS59946 [0,1,0,0,0,0|2,1,0]=4 208 B10R1.14 c1cc(sc1C(=O)CCl)Br TS26406 [0,1,0,0,0,0|2,1,0]=4 209 B10R1.14 c1cc(sc1C(=O)NN)Br TS49903 [0,1,0,0,0,0|2,1,0]=4 210 B10R1.14 c1cc(sc1C(=O)NN)Cl TS46192 [0,1,0,0,0,0|2,1,0]=4 211 B10R1.23 CC(C(=O)c1cccs1)Br TS49560 [0,1,0,0,0,0|1,1,0]=3 212 B10R1.23 CN(C(=O)c1ccco1)O TS37472 [0,1,0,0,0,0|1,0,0]=2 213 B10R1.23 c1cc(oc1)C(=O)C(=O)N TS06348 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.23 c1cc(oc1)C(=O)C(=O)O TS02176 [0,1,0,0,0,0|2,0,0]=3 215 B10R1.23 c1cc(oc1)C(=O)C(O)O TS00444 [0,1,0,0,0,0|2,0,0]=3 216 B10R1.23 c1cc(sc1)C(=O)C(=O)O TS10665 [0,1,0,0,0,0|2,1,0]=4 217 B10R1.149 COC(=O)c1c(c[nH]n1)N TS88806 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.149 COC(=O)c1c(cc[nH]1)Br TS92650 [0,1,0,0,0,0|1,0,0]=2 219 B10R1.149 COC(=O)c1c(cc[nH]1)Cl TS91006 [0,1,0,0,0,0|1,0,0]=2 220 B10R1.149 COC(=O)c1c(cco1)N TS89296 [0,1,0,0,0,0|0,0,0]=1 221 B10R1.149 COC(=O)c1c(ccs1)Br TS56270 [0,1,0,0,0,0|0,1,0]=2 222 B10R1.149 COC(=O)c1c(ccs1)Cl TS46190 [0,1,0,0,0,0|0,1,0]=2 223 B10R1.149 COC(=O)c1c(ccs1)N TS08569 [0,1,0,0,0,0|0,1,0]=2 224 B10R1.149 COC(=O)c1c(ccs1)O TS10959 [0,1,0,0,0,0|0,1,0]=2 225 B10R1.149 COC(=O)c1c(ncs1)N TS70927 [0,1,0,0,0,0|1,1,0]=3 226 B10R1.149 COC(=O)c1c(nsn1)Br TS50257 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.149 COC(=O)c1c(scn1)Br TS56307 [0,1,0,0,0,0|2,0,0]=3 228 B10R1.149 COC(=O)c1cccn1N TS37356 [0,1,0,0,0,0|1,0,0]=2 229 B10R1.149 COC(=O)c1ccsc1N TS08550 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.149 COC(=O)c1cn[nH]c1N TS37482 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.149 COC(=O)c1cscc1N TS41782 [0,1,0,0,0,0|2,0,0]=3 232 B10R1.149 COC(=O)c1cscc1N TS56281 [0,1,0,0,0,0|2,0,0]=3 233 B10R1.149 Cc1c(cco1)C(=O)OC TS06434 [0,1,0,0,0,0|2,0,0]=3 234 B10R1.149 Cc1c(ccs1)C(=O)OC TS39900 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.149 Cc1c(nco1)C(=O)OC TS37468 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.149 Cc1c(scn1)C(=O)OC TS16575 [0,1,0,0,0,0|1,1,0]=3 237 B10R1.149 Cc1cc[nH]c1C(=O)OC TS89995 [0,1,0,0,0,0|1,0,0]=2 238 B10R1.149 Cc1ccoc1C(=O)OC TS06432 [0,1,0,0,0,0|0,0,0]=1 239 B10R1.149 Cc1ccsc1C(=O)OC TS56278 [0,1,0,0,0,0|0,1,0]=2 240 B10R1.149 Cn1cccc1C(=O)OC TS37280 [0,1,0,0,0,0|1,0,0]=2 241 B10R1.149 Cn1ccnc1C(=O)OC TS89892 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.149 Cn1cncc1C(=O)OC TS06437 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.149 c1csc(c1Br)C(=O)CBr TS34687 [0,1,0,0,0,0|2,1,0]=4 244 B8R0.6 CC=CC=CC(=O)NO TS36227 [0,0,1,0,0,0|3,0,0]=4 245 B8R0.6 CC=CC=CC(=O)OC TS05163 [0,0,1,0,0,0|1,0,0]=2 246 B8R0.6 CCCC=CC(=O)OC TS36302 [0,0,1,0,0,0|1,0,2]=4 247 B8R0.6 COC(=O)CCCC=C TS36304 [0,0,1,0,0,0|1,0,2]=4 248 B8R0.6 COC(=O)CSCC=C TS40451 [0,0,1,0,0,0|0,1,2]=4 249 B10R2.32 c1c2c(c[nH]1)C(=O)CC2 TS04860 [0,0,0,1,0,0|3,0,0]=4 250 B10R1.15 CC=C(C)c1ccccc1 TS36697 [0,0,0,0,0,1|3,0,0]=4 251 B10R1.15 CCC(=C)c1ccccc1 TS36703 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.15 CCC(=O)c1ccccc1 TS00059 [0,0,0,0,0,1|2,0,0]=3 253 B10R1.15 CCC(=O)c1ccccn1 TS36934 [0,0,0,0,0,1|2,0,0]=3 254 B10R1.15 CCC(=O)c1cccnc1 TS36927 [0,0,0,0,0,1|2,0,0]=3 255 B10R1.15 CCC(=O)c1ccncc1 TS36919 [0,0,0,0,0,1|2,0,0]=3 256 B10R1.15 CCC(=O)c1cnccn1 TS88981 [0,0,0,0,0,1|2,0,0]=3 257 B10R1.15 CNC(=O)c1ccccc1 TS01597 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.15 CNC(=O)c1cccnc1 TS06060 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.15 COC(=N)c1ccccc1 TS45386 [0,0,0,0,0,1|2,0,0]=3 260 B10R1.15 COC(=N)c1ccccn1 TS02314 [0,0,0,0,0,1|2,0,0]=3 261 B10R1.15 COC(=N)c1cnccn1 TS06178 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.15 COC(=O)C1=CCCCC1 TS37383 [0,0,0,0,0,1|1,0,2]=4 263 B10R1.15 COC(=O)C1=CCCNC1 TS23394 [0,0,0,0,0,1|1,0,2]=4 264 B10R1.15 COC(=O)C1=CCOCC1 TS06658 [0,0,0,0,0,1|1,0,2]=4 265 B10R1.15 COC(=O)N1CC=CC=C1 TS06359 [0,0,0,0,0,1|2,0,0]=3 266 B10R1.15 COC(=O)c1ccccc1 TS00163 [0,0,0,0,0,1|1,0,0]=2 267 B10R1.15 COC(=O)c1ccccn1 TS06161 [0,0,0,0,0,1|1,0,0]=2 268 B10R1.15 COC(=O)c1cccnc1 TS37100 [0,0,0,0,0,1|1,0,0]=2 269 B10R1.15 COC(=O)c1cccnn1 TS90030 [0,0,0,0,0,1|1,0,0]=2 270 B10R1.15 COC(=O)c1ccncc1 TS06163 [0,0,0,0,0,1|1,0,0]=2 271 B10R1.15 COC(=O)c1ccncn1 TS59823 [0,0,0,0,0,1|1,0,0]=2 272 B10R1.15 COC(=O)c1ccnnc1 TS90861 [0,0,0,0,0,1|2,0,0]=3 273 B10R1.15 COC(=O)c1cncnc1 TS01558 [0,0,0,0,0,1|2,0,0]=3 274 B10R1.15 COC(=O)c1ncccn1 TS01557 [0,0,0,0,0,1|1,0,0]=2 275 B10R1.15 COS(=O)c1ccccc1 TS10693 [0,0,0,0,0,1|2,0,0]=3 276 B10R1.15 c1cc(cnc1)C(=O)CBr TS09434 [0,0,0,0,0,1|3,0,0]=4 277 B10R1.15 c1cc(cnc1)C(=O)CCl TS94820 [0,0,0,0,0,1|3,0,0]=4 278 B10R1.15 c1cc(cnc1)C(=O)NN TS56400 [0,0,0,0,0,1|3,0,0]=4 279 B10R1.15 c1cc(cnc1)C(=O)NO TS37159 [0,0,0,0,0,1|3,0,0]=4 280 B10R1.15 c1ccc(cc1)C(=O)C#N TS05650 [0,0,0,0,0,1|3,0,0]=4 281 B10R1.15 c1ccc(cc1)C(=O)C=O TS36799 [0,0,0,0,0,1|3,0,0]=4 282 B10R1.15 c1ccc(cc1)C(=O)CBr TS55148 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.15 c1ccc(cc1)C(=O)CCl TS10529 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.15 c1ccc(cc1)C(=O)CN TS47462 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.15 c1ccc(cc1)C(=O)CO TS55394 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.15 c1ccc(cc1)C(=O)NN TS55745 [0,0,0,0,0,1|3,0,0]=4 287 B10R1.15 c1ccc(cc1)C(=O)NO TS37093 [0,0,0,0,0,1|3,0,0]=4 288 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS11100 [0,0,0,0,0,1|3,0,0]=4 289 B10R1.15 c1ccc(cc1)C(=O)N[O-] TS13711 [0,0,0,0,0,1|3,0,0]=4 290 B10R1.15 c1ccnc(c1)C(=O)CBr TS18939 [0,0,0,0,0,1|3,0,0]=4 291 B10R1.15 c1ccnc(c1)C(=O)CBr TS55077 [0,0,0,0,0,1|3,0,0]=4 292 B10R1.15 c1ccnc(c1)C(=O)NN TS06175 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.15 c1cnc(cn1)C(=O)CBr TS08470 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.15 c1cnc(cn1)C(=O)NN TS37166 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.15 c1cnccc1C(=O)CBr TS16896 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.15 c1cnccc1C(=O)NN TS06172 [0,0,0,0,0,1|3,0,0]=4 297 B10R1.15 c1cncnc1C(=O)NN TS37167 [0,0,0,0,0,1|3,0,0]=4 298 B10R1.27 COC(=O)C=C1CCCO1 TS06661 [0,0,0,0,0,1|0,0,3]=4 299 B10R1.27 COC(=O)Cc1cccs1 TS01563 [0,0,0,0,0,1|0,1,0]=2 300 B10R1.27 COC(=O)Cc1ccsc1 TS10692 [0,0,0,0,0,1|2,0,0]=3 301 B10R1.27 COC(=O)Cn1cncn1 TS37478 [0,0,0,0,0,1|3,0,0]=4 302 B7R0.3 CCC(=O)OCC=C TS04450 [1,0,1,0,0,0|1,0,1]=4 303 B7R0.3 CCC=CC(=O)OC TS56262 [1,0,1,0,0,0|0,0,2]=4 304 B7R0.3 COC(=O)C=CC=C TS31908 [1,0,1,0,0,0|0,0,0]=2 305 B7R0.3 COC(=O)C=CC=O TS04424 [1,0,1,0,0,0|0,0,1]=3 306 B7R0.3 COC(=O)C=CCBr TS47660 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.3 COC(=O)C=CCBr TS93086 [1,0,1,0,0,0|1,0,1]=4 308 B7R0.3 COC(=O)OCC=C TS94827 [1,0,1,0,0,0|0,0,1]=3 309 B7R0.3 COC=CC(=O)OC TS32188 [1,0,1,0,0,0|1,0,1]=4 310 B7R0.5 CC(=C)C(=O)OC=C TS31917 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.7 CC=CC(=O)OC=C TS31901 [1,0,1,0,0,0|2,0,0]=4 312 B7R0.10 CC=C(C(=O)OC)Br TS47656 [1,0,1,0,0,0|1,0,1]=4 313 B7R0.10 CC=C(C)C(=O)OC TS32064 [1,0,1,0,0,0|0,0,2]=4 314 B7R0.10 CC=C(C)C(=O)OC TS32066 [1,0,1,0,0,0|0,0,2]=4 315 B7R0.10 COC(=O)C(=C)C#N TS04236 [1,0,1,0,0,0|1,0,1]=4 316 B7R0.10 COC(=O)C(=C)CBr TS47657 [1,0,1,0,0,0|1,0,1]=4 317 B7R0.10 COC(=O)C(=O)OC TS39853 [1,0,1,0,0,0|1,0,1]=4 318 B7R0.10 COC(=O)C(C=C)O TS32185 [1,0,1,0,0,0|0,0,1]=3 319 B7R0.1 CCC=CC=CC=O TS04199 [1,0,1,0,0,0|1,0,1]=4 320 B7R0.1 CCC=CC=CCO TS31934 [1,0,1,0,0,0|1,0,1]=4 321 B7R0.4 CC(=O)OC=CC=C TS31913 [1,0,1,0,0,0|2,0,0]=4 322 B7R0.4 CC=CC=CC(=O)C TS31841 [1,0,1,0,0,0|1,0,0]=3 323 B7R0.4 CC=CC=CC(=O)O TS31914 [1,0,1,0,0,0|1,0,0]=3 324 B7R0.4 CC=CC=CC(=O)[O-] TS09910 [1,0,1,0,0,0|1,0,1]=4 325 B7R0.4 CC=CC=CC(=O)[O-] TS29798 [1,0,1,0,0,0|1,0,1]=4 326 B7R1.1 CCc1ccc[nH]1 TS03700 [2,0,0,0,0,0|1,0,1]=4 327 B7R1.1 CCc1ccco1 TS31365 [2,0,0,0,0,0|0,0,1]=3 328 B7R1.1 CCc1cccs1 TS04335 [2,0,0,0,0,0|0,1,1]=4 329 B7R1.1 CNc1cnco1 TS01626 [2,0,0,0,0,0|2,0,0]=4 330 B7R1.1 CNc1ncco1 TS05943 [2,0,0,0,0,0|2,0,0]=4 331 B7R1.1 COc1ccco1 TS03757 [2,0,0,0,0,0|0,0,0]=2 332 B7R1.1 COc1cccs1 TS39279 [2,0,0,0,0,0|0,1,0]=3 333 B7R1.1 COc1ccsc1 TS70649 [2,0,0,0,0,0|2,0,0]=4 334 B7R1.1 CSc1cccs1 TS05614 [2,0,0,0,0,0|0,2,0]=4 335 B7R1.1 c1c(nc[nH]1)C=O TS01483 [2,0,0,0,0,0|2,0,0]=4 336 B7R1.1 c1c(nco1)C=O TS71269 [2,0,0,0,0,0|2,0,0]=4 337 B7R1.1 c1c(ncs1)C=O TS01721 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.1 c1c(ocn1)C=O TS01172 [2,0,0,0,0,0|1,0,0]=3 339 B7R1.1 c1c(ocn1)CO TS91185 [2,0,0,0,0,0|1,0,1]=4 340 B7R1.1 c1c(scn1)C=O TS55509 [2,0,0,0,0,0|1,1,0]=4 341 B7R1.1 c1c[nH]cc1C=O TS00457 [2,0,0,0,0,0|2,0,0]=4 342 B7R1.1 c1c[nH]nc1C=O TS59363 [2,0,0,0,0,0|2,0,0]=4 343 B7R1.1 c1cc([nH]c1)C=O TS01672 [2,0,0,0,0,0|1,0,0]=3 344 B7R1.1 c1cc(oc1)C#N TS71874 [2,0,0,0,0,0|1,0,1]=4 345 B7R1.1 c1cc(oc1)C=O TS03712 [2,0,0,0,0,0|0,0,0]=2 346 B7R1.1 c1cc(oc1)CN TS03749 [2,0,0,0,0,0|1,0,1]=4 347 B7R1.1 c1cc(oc1)CO TS03766 [2,0,0,0,0,0|0,0,1]=3 348 B7R1.1 c1cc(oc1)CS TS32087 [2,0,0,0,0,0|0,1,1]=4 349 B7R1.1 c1cc(sc1)C=O TS65660 [2,0,0,0,0,0|0,1,0]=3 350 B7R1.1 c1cc(sc1)CO TS32088 [2,0,0,0,0,0|0,1,1]=4 351 B7R1.1 c1cc[c-](c1)C=O TS21602 [2,0,0,0,0,0|1,0,1]=4 352 B7R1.1 c1cn[nH]c1C=O TS85315 [2,0,0,0,0,0|2,0,0]=4 353 B7R1.1 c1cnc([nH]1)C=O TS77140 [2,0,0,0,0,0|2,0,0]=4 354 B7R1.1 c1cnoc1C=O TS03746 [2,0,0,0,0,0|1,0,0]=3 355 B7R1.1 c1cnoc1CO TS31470 [2,0,0,0,0,0|1,0,1]=4 356 B7R1.1 c1cnsc1C=O TS04385 [2,0,0,0,0,0|1,1,0]=4 357 B7R1.1 c1coc(n1)C=O TS09404 [2,0,0,0,0,0|1,0,0]=3 358 B7R1.1 c1coc(n1)CO TS89980 [2,0,0,0,0,0|1,0,1]=4 359 B7R1.1 c1cocc1C=O TS02781 [2,0,0,0,0,0|2,0,0]=4 360 B7R1.1 c1conc1C=O TS56203 [2,0,0,0,0,0|2,0,0]=4 361 B7R1.1 c1csc(n1)C=O TS19605 [2,0,0,0,0,0|1,1,0]=4 362 B7R1.1 c1csc(n1)C=O TS65653 [2,0,0,0,0,0|1,1,0]=4 363 B7R1.1 c1cscc1C=O TS70719 [2,0,0,0,0,0|2,0,0]=4 364 B7R1.1 c1nnc(o1)C=O TS03752 [2,0,0,0,0,0|2,0,0]=4 365 B9R0.23 CC(=O)NC(=C)C(=O)OC TS06829 [0,1,1,0,0,0|1,0,1]=4 366 B9R0.23 COC(=O)C(=C)CC(=O)O TS06930 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.5 CCOC(=O)C=CC=CC TS37387 [0,1,1,0,0,0|1,0,0]=3 368 B9R0.24 COC(=O)C=CC(=O)OC TS06931 [0,1,1,0,0,0|2,0,0]=4 369 B9R0.24 COC(=O)C=CC(=O)OC TS33235 [0,1,1,0,0,0|2,0,0]=4 370 B9R0.46 COC(=O)CCC=CC=C TS37385 [0,1,1,0,0,0|1,0,1]=4 371 B9R1.19 CC(C)(C)c1ccco1 TS36002 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.19 CS(=O)(=O)c1cccs1 TS42490 [1,1,0,0,0,0|1,1,0]=4 373 B9R1.19 CS(=O)(=O)c1cccs1 TS61524 [1,1,0,0,0,0|1,1,0]=4 374 B9R1.35 B(c1ccc(o1)C)(O)O TS01154 [1,1,0,0,0,0|1,0,1]=4 375 B9R1.35 CC(=O)c1cc(c[nH]1)I TS25669 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.35 CC(=O)c1cc(cs1)Br TS38755 [1,1,0,0,0,0|0,1,0]=3 377 B9R1.35 CC(=O)c1cc(cs1)Cl TS42250 [1,1,0,0,0,0|0,1,0]=3 378 B9R1.35 CC(=O)c1cc(sc1)Cl TS42251 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.35 CC(=O)c1ccc(o1)Br TS16113 [1,1,0,0,0,0|0,0,0]=2 380 B9R1.35 CC(=O)c1ccc(s1)Br TS38753 [1,1,0,0,0,0|0,1,0]=3 381 B9R1.35 CC(=O)c1ccc(s1)Cl TS42247 [1,1,0,0,0,0|0,1,0]=3 382 B9R1.35 CC(=O)c1ccc(s1)I TS63069 [1,1,0,0,0,0|0,1,0]=3 383 B9R1.35 CC(=O)c1ccn(c1)C TS04957 [1,1,0,0,0,0|2,0,0]=4 384 B9R1.35 CC(=O)c1csc(n1)N TS37585 [1,1,0,0,0,0|2,0,0]=4 385 B9R1.35 CC(=O)c1ncc(s1)Br TS87763 [1,1,0,0,0,0|1,1,0]=4 386 B9R1.35 CC(=O)c1ncc(s1)Cl TS91945 [1,1,0,0,0,0|1,1,0]=4 387 B9R1.35 Cc1[nH]cc(n1)C(=O)C TS05016 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.35 Cc1cc([nH]c1)C(=O)O TS05086 [1,1,0,0,0,0|1,0,0]=3 389 B9R1.35 Cc1cc([nH]n1)C(=O)O TS05140 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.35 Cc1cc(cs1)C(=O)O TS86569 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.35 Cc1cc(n[nH]1)C(=O)O TS39782 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.35 Cc1cc(no1)C(=O)O TS08888 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.35 Cc1cc(on1)C(=O)C TS05075 [1,1,0,0,0,0|1,0,0]=3 394 B9R1.35 Cc1cc(on1)C(=O)O TS70668 [1,1,0,0,0,0|1,0,0]=3 395 B9R1.35 Cc1cc(sc1)C(=O)C TS37391 [1,1,0,0,0,0|0,1,0]=3 396 B9R1.35 Cc1cc(sc1)C(=O)Cl TS11337 [1,1,0,0,0,0|1,1,0]=4 397 B9R1.35 Cc1cc(sc1)C(=O)O TS37578 [1,1,0,0,0,0|0,1,0]=3 398 B9R1.35 Cc1ccc([nH]1)C(=O)O TS05087 [1,1,0,0,0,0|1,0,0]=3 399 B9R1.35 Cc1ccc(o1)C(=O)C TS32605 [1,1,0,0,0,0|0,0,0]=2 400 B9R1.35 Cc1ccc(o1)C(=O)Cl TS40261 [1,1,0,0,0,0|1,0,0]=3 401 B9R1.35 Cc1ccc(o1)C(=O)O TS39783 [1,1,0,0,0,0|0,0,0]=2 402 B9R1.35 Cc1ccc(s1)C(=O)C TS08249 [1,1,0,0,0,0|0,1,0]=3 403 B9R1.35 Cc1ccc(s1)C(=O)O TS55485 [1,1,0,0,0,0|0,1,0]=3 404 B9R1.35 Cc1cnc(s1)C(=O)O TS55483 [1,1,0,0,0,0|1,1,0]=4 405 B9R1.35 Cc1csc(n1)C(=O)O TS71242 [1,1,0,0,0,0|1,1,0]=4 406 B9R1.35 Cc1nc(co1)C(=O)O TS05235 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.35 Cc1nc(cs1)C(=O)O TS46423 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.35 Cc1ncc(s1)C(=O)O TS55463 [1,1,0,0,0,0|1,1,0]=4 409 B9R1.35 Cc1ncc(s1)C(=O)O TS60684 [1,1,0,0,0,0|1,1,0]=4 410 B9R1.35 Cc1nnc(o1)C(=O)O TS29444 [1,1,0,0,0,0|2,0,0]=4 411 B9R1.35 Cn1cc(nc1)C(=O)O TS00491 [1,1,0,0,0,0|2,0,0]=4 412 B9R1.35 Cn1ccc(n1)C(=O)O TS17342 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.35 Cn1ccc(n1)C(=O)O TS90252 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.35 c1c([nH]c(=O)[nH]1)C(=O)O TS05309 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.35 c1c(c[nH]c1C(=O)O)Br TS70941 [1,1,0,0,0,0|1,0,0]=3 416 B9R1.35 c1c(csc1Br)C(=O)O TS88084 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.35 c1c(csc1C(=O)Cl)Br TS24055 [1,1,0,0,0,0|1,1,0]=4 418 B9R1.35 c1c(csc1C(=O)O)Br TS56357 [1,1,0,0,0,0|0,1,0]=3 419 B9R1.35 c1c(csc1C(=O)O)Cl TS42530 [1,1,0,0,0,0|0,1,0]=3 420 B9R1.35 c1c(csc1C(=O)O)F TS09710 [1,1,0,0,0,0|0,1,0]=3 421 B9R1.35 c1c(csc1C(=O)O)N TS14480 [1,1,0,0,0,0|0,1,0]=3 422 B9R1.35 c1c(csc1Cl)C(=O)O TS71528 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.35 c1c(csc1F)C(=O)O TS87661 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.35 c1c(n[nH]c1N)C(=O)O TS05251 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.35 c1c(nc([nH]1)C(=O)O)N TS05239 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.35 c1c(nc(o1)Br)C(=O)O TS86742 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.35 c1c(nc(o1)Cl)C(=O)O TS07386 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.35 c1c(nc(s1)Br)C(=O)O TS55110 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.35 c1c(nc(s1)C(=O)O)Br TS91199 [1,1,0,0,0,0|1,1,0]=4 430 B9R1.35 c1c(nc(s1)N)C(=O)O TS08270 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.35 c1c(nc(s1)N)C(=O)O TS55048 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.35 c1c(sc(n1)Br)C(=O)O TS55178 [1,1,0,0,0,0|1,1,0]=4 433 B9R1.35 c1c(sc(n1)C(=O)O)Br TS90897 [1,1,0,0,0,0|1,1,0]=4 434 B9R1.35 c1c(sc(n1)C(=O)O)Cl TS89631 [1,1,0,0,0,0|1,1,0]=4 435 B9R1.35 c1c(sc(n1)C(=O)O)N TS91372 [1,1,0,0,0,0|1,1,0]=4 436 B9R1.35 c1c(sc(n1)C(=O)O)N TS92537 [1,1,0,0,0,0|1,1,0]=4 437 B9R1.35 c1c(sc(n1)N)C(=O)O TS55050 [1,1,0,0,0,0|1,1,0]=4 438 B9R1.35 c1cc([nH]c1C(=O)N)Br TS91618 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.35 c1cc(oc1C(=O)Cl)Br TS20789 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.35 c1cc(oc1C(=O)O)Br TS71460 [1,1,0,0,0,0|0,0,0]=2 441 B9R1.35 c1cc(oc1C(=O)O)Cl TS65152 [1,1,0,0,0,0|0,0,0]=2 442 B9R1.35 c1cc(oc1C(=O)O)N TS05237 [1,1,0,0,0,0|0,0,0]=2 443 B9R1.35 c1cc(oc1[N+](=O)[O-])Br TS17400 [1,1,0,0,0,0|1,0,1]=4 444 B9R1.35 c1cc(sc1C(=O)Cl)Cl TS48026 [1,1,0,0,0,0|1,1,0]=4 445 B9R1.35 c1cc(sc1C(=O)N)Cl TS42360 [1,1,0,0,0,0|1,1,0]=4 446 B9R1.35 c1cc(sc1C(=O)O)Br TS57243 [1,1,0,0,0,0|0,1,0]=3 447 B9R1.35 c1cc(sc1C(=O)O)Br TS71471 [1,1,0,0,0,0|0,1,0]=3 448 B9R1.35 c1cc(sc1C(=O)O)Cl TS71525 [1,1,0,0,0,0|0,1,0]=3 449 B9R1.35 c1cc(sc1C(=O)O)F TS40370 [1,1,0,0,0,0|0,1,0]=3 450 B9R1.41 CC(=O)c1c(ccs1)Br TS38751 [1,1,0,0,0,0|0,1,0]=3 451 B9R1.41 CC(=O)c1c(ccs1)Cl TS42249 [1,1,0,0,0,0|0,1,0]=3 452 B9R1.41 CC(=O)c1c(ccs1)N TS47344 [1,1,0,0,0,0|0,1,0]=3 453 B9R1.41 CC(=O)c1cccn1C TS04953 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.41 CC(=O)c1nccn1C TS86142 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.41 Cc1c(cco1)C(=O)O TS05139 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.41 Cc1c(nco1)C(=O)O TS55474 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.41 Cc1c(ncs1)C(=O)O TS55484 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.41 Cc1c(ocn1)C(=O)C TS46731 [1,1,0,0,0,0|1,0,0]=3 459 B9R1.41 Cc1c(ocn1)C(=O)Cl TS07135 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.41 Cc1c(ocn1)C(=O)N TS05146 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.41 Cc1c(ocn1)C(=O)O TS03173 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.41 Cc1c(scn1)C(=O)C TS37499 [1,1,0,0,0,0|1,1,0]=4 463 B9R1.41 Cc1c(scn1)C(=O)O TS71243 [1,1,0,0,0,0|1,1,0]=4 464 B9R1.41 Cc1c[nH]cc1C(=O)C TS01987 [1,1,0,0,0,0|2,0,0]=4 465 B9R1.41 Cc1ccoc1C(=O)Cl TS40264 [1,1,0,0,0,0|1,0,0]=3 466 B9R1.41 Cc1ccoc1C(=O)O TS70657 [1,1,0,0,0,0|0,0,0]=2 467 B9R1.41 Cc1ccsc1C(=O)C TS37389 [1,1,0,0,0,0|0,1,0]=3 468 B9R1.41 Cc1ccsc1C(=O)Cl TS42248 [1,1,0,0,0,0|1,1,0]=4 469 B9R1.41 Cc1ccsc1C(=O)N TS37501 [1,1,0,0,0,0|1,1,0]=4 470 B9R1.41 Cc1ccsc1C(=O)O TS70685 [1,1,0,0,0,0|0,1,0]=3 471 B9R1.41 Cc1cnoc1C(=O)O TS03172 [1,1,0,0,0,0|1,0,0]=3 472 B9R1.41 Cc1conc1C(=O)O TS05238 [1,1,0,0,0,0|2,0,0]=4 473 B9R1.41 Cn1c(ccn1)C(=O)O TS16656 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.41 Cn1cccc1C(=O)O TS46984 [1,1,0,0,0,0|1,0,0]=3 475 B9R1.41 Cn1ccnc1C(=O)O TS00468 [1,1,0,0,0,0|2,0,0]=4 476 B9R1.41 Cn1cncc1C(=O)O TS00470 [1,1,0,0,0,0|2,0,0]=4 477 B9R1.41 c1c(c(cs1)Br)C(=O)O TS09619 [1,1,0,0,0,0|2,0,0]=4 478 B9R1.41 c1c(c(n[nH]1)C(=O)O)Br TS17204 [1,1,0,0,0,0|2,0,0]=4 479 B9R1.41 c1cc(n(c1)N)C(=O)N TS89649 [1,1,0,0,0,0|2,0,0]=4 480 B9R1.41 c1coc(c1Br)C(=O)O TS51224 [1,1,0,0,0,0|0,0,0]=2 481 B9R1.41 c1coc(c1C(=O)O)Br TS17203 [1,1,0,0,0,0|2,0,0]=4 482 B9R1.41 c1csc(c1Br)C(=O)Cl TS24054 [1,1,0,0,0,0|1,1,0]=4 483 B9R1.41 c1csc(c1Br)C(=O)N TS20092 [1,1,0,0,0,0|1,1,0]=4 484 B9R1.41 c1csc(c1Br)C(=O)O TS09502 [1,1,0,0,0,0|0,1,0]=3 485 B9R1.41 c1csc(c1C(=O)O)Br TS08315 [1,1,0,0,0,0|2,0,0]=4 486 B9R1.41 c1csc(c1C(=O)O)Cl TS00972 [1,1,0,0,0,0|2,0,0]=4 487 B9R1.41 c1csc(c1C(=O)O)F TS07162 [1,1,0,0,0,0|2,0,0]=4 488 B9R1.41 c1csc(c1C(=O)O)N TS55051 [1,1,0,0,0,0|2,0,0]=4 489 B9R1.41 c1csc(c1Cl)C(=O)Cl TS48025 [1,1,0,0,0,0|1,1,0]=4 490 B9R1.41 c1csc(c1Cl)C(=O)N TS42361 [1,1,0,0,0,0|1,1,0]=4 491 B9R1.41 c1csc(c1Cl)C(=O)O TS42529 [1,1,0,0,0,0|0,1,0]=3 492 B9R1.41 c1csc(c1F)C(=O)O TS70577 [1,1,0,0,0,0|0,1,0]=3 493 B9R1.41 c1csc(c1I)C(=O)O TS28552 [1,1,0,0,0,0|0,1,0]=3 494 B9R1.41 c1csc(c1N)C(=O)N TS37588 [1,1,0,0,0,0|1,1,0]=4 495 B9R1.41 c1csc(c1N)C(=O)O TS14481 [1,1,0,0,0,0|0,1,0]=3 496 B9R1.41 c1csc(c1N)C(=O)O TS40071 [1,1,0,0,0,0|0,1,0]=3 497 B9R1.41 c1csc(c1O)C(=O)O TS40161 [1,1,0,0,0,0|0,1,0]=3 498 B9R1.41 c1nc(c(s1)Br)C(=O)O TS71468 [1,1,0,0,0,0|2,0,0]=4 499 B9R1.41 c1nc(c(s1)C(=O)O)Cl TS71047 [1,1,0,0,0,0|1,1,0]=4 500 B9R1.7 Cc1ccc(o1)C=NO TS05082 [1,1,0,0,0,0|2,0,0]=4 501 B9R1.12 CCCCc1ccco1 TS35998 [1,1,0,0,0,0|1,0,1]=4 502 B9R1.12 CCSCc1ccco1 TS37624 [1,1,0,0,0,0|0,1,1]=4 503 B9R1.12 CSSCc1ccco1 TS42220 [1,1,0,0,0,0|0,1,1]=4 504 B9R1.12 c1cc(oc1)C=CC#N TS32391 [1,1,0,0,0,0|1,0,1]=4 505 B9R1.12 c1cc(oc1)C=CC=O TS32492 [1,1,0,0,0,0|1,0,1]=4 506 B9R1.12 c1cc(oc1)COC=S TS37580 [1,1,0,0,0,0|0,0,2]=4 507 B9R1.13 CC(=O)Cc1ccco1 TS32606 [1,1,0,0,0,0|1,0,1]=4 508 B9R1.13 CN(C)C=C1C=CC=C1 TS04871 [1,1,0,0,0,0|2,0,0]=4 509 B11R1.7 COP(=O)(C)c1ccccc1 TS45092 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.7 COS(=O)(=O)c1ccccc1 TS39807 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.16 C=COC(=O)c1ccccc1 TS07417 [0,1,0,0,0,1|1,0,1]=4 512 B11R1.16 CC=CC(=O)c1ccccc1 TS07230 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.16 CCCC(=O)c1ccccc1 TS40658 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.16 CCCC(=O)c1ccccn1 TS07574 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.16 CCNC(=O)c1ccccc1 TS07570 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.16 CCNC(=O)c1cccnc1 TS40872 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.16 CCOC(=N)c1ccccc1 TS39808 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.16 CCOC(=O)c1ccccc1 TS40849 [0,1,0,0,0,1|1,0,0]=3 519 B11R1.16 CCOC(=O)c1ccccn1 TS08499 [0,1,0,0,0,1|1,0,0]=3 520 B11R1.16 CCOC(=O)c1cccnc1 TS41007 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.16 CCOC(=O)c1ccncc1 TS01460 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.16 CCOC(=O)c1ccncn1 TS55949 [0,1,0,0,0,1|1,0,0]=3 523 B11R1.16 CCOC(=O)c1cnccn1 TS41125 [0,1,0,0,0,1|1,0,0]=3 524 B11R1.16 CNCC(=O)c1ccccc1 TS15529 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.16 COCC(=O)c1ccccc1 TS09863 [0,1,0,0,0,1|1,0,0]=3 526 B11R1.16 c1cc(cnc1)C(=O)NCO TS41113 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.16 c1ccc(cc1)C(=O)CCCl TS12618 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.16 c1ccc(cc1)C(=O)NCO TS41014 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.16 c1ccc(cc1)C(=O)OCCl TS12930 [0,1,0,0,0,1|1,0,0]=3 530 B11R1.16 c1ccc(cc1)C(=O)SCO TS44889 [0,1,0,0,0,1|1,1,0]=4 531 B11R1.22 CCC(=O)c1ccc(cc1)Br TS21445 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.22 CCC(=O)c1ccc(cc1)C TS03180 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.22 CCC(=O)c1ccc(cc1)Cl TS44952 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.22 CCC(=O)c1ccc(cc1)F TS10167 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.22 CCC(=O)c1ccc(cc1)N TS70916 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.22 CCC(=O)c1ccc(cc1)O TS03135 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.22 CNC(=O)c1ccc(cc1)N TS70781 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.22 COC(=N)c1ccc(cc1)O TS15875 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.22 COC(=O)c1ccc(=O)oc1 TS10386 [0,1,0,0,0,1|0,0,0]=2 540 B11R1.22 COC(=O)c1ccc(cc1)Br TS56290 [0,1,0,0,0,1|1,0,0]=3 541 B11R1.22 COC(=O)c1ccc(cc1)Cl TS12922 [0,1,0,0,0,1|1,0,0]=3 542 B11R1.22 COC(=O)c1ccc(cc1)F TS16564 [0,1,0,0,0,1|1,0,0]=3 543 B11R1.22 COC(=O)c1ccc(cc1)I TS16571 [0,1,0,0,0,1|1,0,0]=3 544 B11R1.22 COC(=O)c1ccc(cc1)N TS08594 [0,1,0,0,0,1|1,0,0]=3 545 B11R1.22 COC(=O)c1ccc(cc1)N TS50621 [0,1,0,0,0,1|1,0,0]=3 546 B11R1.22 COC(=O)c1ccc(cc1)O TS10133 [0,1,0,0,0,1|1,0,0]=3 547 B11R1.22 COC(=O)c1ccc(cc1)O TS13446 [0,1,0,0,0,1|1,0,0]=3 548 B11R1.22 COC(=O)c1ccc(cc1)O TS51124 [0,1,0,0,0,1|1,0,0]=3 549 B11R1.22 COC(=O)c1ccc(cn1)Br TS56306 [0,1,0,0,0,1|1,0,0]=3 550 B11R1.22 COC(=O)c1ccc(cn1)Cl TS85378 [0,1,0,0,0,1|1,0,0]=3 551 B11R1.22 COC(=O)c1ccc(cn1)N TS89566 [0,1,0,0,0,1|1,0,0]=3 552 B11R1.22 COC(=O)c1ccc(cn1)O TS89919 [0,1,0,0,0,1|1,0,0]=3 553 B11R1.22 COC(=O)c1ccc(nc1)Br TS16473 [0,1,0,0,0,1|1,0,0]=3 554 B11R1.22 COC(=O)c1ccc(nc1)Cl TS59656 [0,1,0,0,0,1|1,0,0]=3 555 B11R1.22 COC(=O)c1ccc(nc1)F TS32946 [0,1,0,0,0,1|1,0,0]=3 556 B11R1.22 COC(=O)c1ccc(nc1)N TS16592 [0,1,0,0,0,1|1,0,0]=3 557 B11R1.22 COC(=O)c1ccc(nc1)O TS91589 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.22 COC(=O)c1ccc(nn1)Cl TS16595 [0,1,0,0,0,1|1,0,0]=3 559 B11R1.22 COC(=O)c1ccc(nn1)N TS91351 [0,1,0,0,0,1|1,0,0]=3 560 B11R1.22 COC(=O)c1ccc(nn1)O TS86427 [0,1,0,0,0,1|1,0,0]=3 561 B11R1.22 COC(=O)c1ccn(=O)cc1 TS41255 [0,1,0,0,0,1|1,0,0]=3 562 B11R1.22 COC(=O)c1cnc(cn1)Cl TS03262 [0,1,0,0,0,1|1,0,0]=3 563 B11R1.22 COC(=O)c1cnc(cn1)Cl TS91500 [0,1,0,0,0,1|1,0,0]=3 564 B11R1.22 COC(=O)c1cnc(cn1)O TS16585 [0,1,0,0,0,1|1,0,0]=3 565 B11R1.22 COC(=O)c1cnc(nc1)Cl TS87390 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.22 COC(=O)c1cnc(nc1)N TS89966 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.22 COC(=O)c1ncc(cn1)Br TS89654 [0,1,0,0,0,1|1,0,0]=3 568 B11R1.22 COC(=O)c1ncc(cn1)N TS85632 [0,1,0,0,0,1|1,0,0]=3 569 B11R1.22 COC(=O)c1ncc(cn1)N TS92309 [0,1,0,0,0,1|1,0,0]=3 570 B11R1.22 COS(=O)c1ccc(cc1)Cl TS51207 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.22 Cc1ccc(cc1)C(=O)NC TS40742 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.22 Cc1ccc(cc1)C(=O)OC TS40843 [0,1,0,0,0,1|1,0,0]=3 573 B11R1.22 Cc1ccc(cc1)S(=O)OC TS12833 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.22 Cc1ccc(cn1)C(=O)OC TS56309 [0,1,0,0,0,1|1,0,0]=3 575 B11R1.22 Cc1cnc(cn1)C(=O)OC TS16587 [0,1,0,0,0,1|1,0,0]=3 576 B11R1.22 Cc1cnc(nc1)C(=O)OC TS90131 [0,1,0,0,0,1|1,0,0]=3 577 B11R1.22 Cc1ncc(cn1)C(=O)OC TS85722 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.23 CCC(=O)c1cccc(c1)C TS40654 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.23 CCC(=O)c1cccc(c1)Cl TS12612 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.23 CCC(=O)c1cccc(c1)F TS02767 [0,1,0,0,0,1|2,0,0]=4 581 B11R1.23 CCC(=O)c1cccc(c1)N TS40743 [0,1,0,0,0,1|2,0,0]=4 582 B11R1.23 CCC(=O)c1cccc(c1)O TS02798 [0,1,0,0,0,1|2,0,0]=4 583 B11R1.23 CNC(=O)c1cc(ccn1)Cl TS85370 [0,1,0,0,0,1|2,0,0]=4 584 B11R1.23 CNC(=O)c1cccc(c1)N TS02663 [0,1,0,0,0,1|2,0,0]=4 585 B11R1.23 CNC(=O)c1ccnc(c1)Br TS44645 [0,1,0,0,0,1|2,0,0]=4 586 B11R1.23 COC(=O)c1cc(ccn1)Br TS56287 [0,1,0,0,0,1|1,0,0]=3 587 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56293 [0,1,0,0,0,1|1,0,0]=3 588 B11R1.23 COC(=O)c1cc(ccn1)Cl TS56295 [0,1,0,0,0,1|1,0,0]=3 589 B11R1.23 COC(=O)c1cc(ccn1)F TS09129 [0,1,0,0,0,1|1,0,0]=3 590 B11R1.23 COC(=O)c1cc(ccn1)I TS68677 [0,1,0,0,0,1|1,0,0]=3 591 B11R1.23 COC(=O)c1cc(cnc1)Br TS44779 [0,1,0,0,0,1|1,0,0]=3 592 B11R1.23 COC(=O)c1cc(cnc1)Br TS85527 [0,1,0,0,0,1|1,0,0]=3 593 B11R1.23 COC(=O)c1cc(cnc1)F TS86193 [0,1,0,0,0,1|1,0,0]=3 594 B11R1.23 COC(=O)c1cc(cnc1)N TS56298 [0,1,0,0,0,1|1,0,0]=3 595 B11R1.23 COC(=O)c1cc(cnc1)O TS59798 [0,1,0,0,0,1|1,0,0]=3 596 B11R1.23 COC(=O)c1cc(nnc1)Cl TS90959 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 TS41248 [0,1,0,0,0,1|1,0,0]=3 598 B11R1.23 COC(=O)c1cccc(c1)Br TS56266 [0,1,0,0,0,1|1,0,0]=3 599 B11R1.23 COC(=O)c1cccc(c1)Cl TS12918 [0,1,0,0,0,1|1,0,0]=3 600 B11R1.23 COC(=O)c1cccc(c1)F TS41351 [0,1,0,0,0,1|1,0,0]=3 601 B11R1.23 COC(=O)c1cccc(c1)I TS70627 [0,1,0,0,0,1|1,0,0]=3 602 B11R1.23 COC(=O)c1cccc(c1)N TS10028 [0,1,0,0,0,1|1,0,0]=3 603 B11R1.23 COC(=O)c1cccc(c1)O TS10128 [0,1,0,0,0,1|1,0,0]=3 604 B11R1.23 COC(=O)c1cccc(n1)Br TS16475 [0,1,0,0,0,1|1,0,0]=3 605 B11R1.23 COC(=O)c1cccc(n1)Cl TS34580 [0,1,0,0,0,1|1,0,0]=3 606 B11R1.23 COC(=O)c1cccc(n1)F TS85361 [0,1,0,0,0,1|1,0,0]=3 607 B11R1.23 COC(=O)c1cccc(n1)I TS68680 [0,1,0,0,0,1|1,0,0]=3 608 B11R1.23 COC(=O)c1cccc(n1)N TS01210 [0,1,0,0,0,1|1,0,0]=3 609 B11R1.23 COC(=O)c1ccnc(c1)Br TS00847 [0,1,0,0,0,1|1,0,0]=3 610 B11R1.23 COC(=O)c1ccnc(c1)Cl TS56251 [0,1,0,0,0,1|1,0,0]=3 611 B11R1.23 COC(=O)c1ccnc(c1)F TS32975 [0,1,0,0,0,1|1,0,0]=3 612 B11R1.23 COC(=O)c1ccnc(c1)I TS68679 [0,1,0,0,0,1|1,0,0]=3 613 B11R1.23 COC(=O)c1ccnc(c1)N TS10155 [0,1,0,0,0,1|1,0,0]=3 614 B11R1.23 COC(=O)c1ccnc(n1)Cl TS88958 [0,1,0,0,0,1|1,0,0]=3 615 B11R1.23 COC(=O)c1cncc(n1)Cl TS16593 [0,1,0,0,0,1|1,0,0]=3 616 B11R1.23 COC(=O)c1cncc(n1)N TS01211 [0,1,0,0,0,1|1,0,0]=3 617 B11R1.23 COC(=O)c1nccc(n1)N TS56280 [0,1,0,0,0,1|1,0,0]=3 618 B11R1.23 Cc1cc(cnc1)C(=O)OC TS02310 [0,1,0,0,0,1|1,0,0]=3 619 B11R1.23 Cc1cc(ncn1)C(=O)OC TS90103 [0,1,0,0,0,1|1,0,0]=3 620 B11R1.23 Cc1cccc(c1)C(=O)OC TS09871 [0,1,0,0,0,1|1,0,0]=3 621 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO TS02719 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.36 CC(=O)C(=O)c1ccccc1 TS00506 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.36 CC(C(=O)c1ccccc1)Br TS21451 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.36 CC(C(=O)c1ccccc1)Cl TS00953 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.36 CC(C)C(=O)c1ccccc1 TS07468 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.36 CC(C)C(=O)c1ccccn1 TS07567 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.36 CN(C)C(=O)c1ccccc1 TS40744 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.36 CN(C)C(=O)c1cccnc1 TS09883 [0,1,0,0,0,1|2,0,0]=4 629 B11R1.222 CCC(=O)c1ccccc1F TS01035 [0,1,0,0,0,1|2,0,0]=4 630 B11R1.222 CCC(=O)c1ccccc1O TS09859 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.222 CNC(=O)c1ccccc1Br TS44448 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.222 CNC(=O)c1ccccc1N TS00814 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.222 CNC(=O)c1ccccc1O TS41017 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.222 CNC(=O)c1cccnc1N TS10047 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.222 COC(=O)c1c(cccn1)Br TS86373 [0,1,0,0,0,1|1,0,0]=3 636 B11R1.222 COC(=O)c1c(cccn1)Cl TS56271 [0,1,0,0,0,1|1,0,0]=3 637 B11R1.222 COC(=O)c1c(cccn1)F TS02769 [0,1,0,0,0,1|1,0,0]=3 638 B11R1.222 COC(=O)c1c(cccn1)N TS08576 [0,1,0,0,0,1|1,0,0]=3 639 B11R1.222 COC(=O)c1c(cccn1)O TS02799 [0,1,0,0,0,1|1,0,0]=3 640 B11R1.222 COC(=O)c1c(nccn1)Br TS87022 [0,1,0,0,0,1|1,0,0]=3 641 B11R1.222 COC(=O)c1c(nccn1)Cl TS16646 [0,1,0,0,0,1|1,0,0]=3 642 B11R1.222 COC(=O)c1c(nccn1)N TS08547 [0,1,0,0,0,1|1,0,0]=3 643 B11R1.222 COC(=O)c1c(nccn1)O TS41332 [0,1,0,0,0,1|1,0,0]=3 644 B11R1.222 COC(=O)c1ccc[nH]c1=O TS56261 [0,1,0,0,0,1|1,0,0]=3 645 B11R1.222 COC(=O)c1ccccc1Br TS44643 [0,1,0,0,0,1|1,0,0]=3 646 B11R1.222 COC(=O)c1ccccc1Cl TS12913 [0,1,0,0,0,1|1,0,0]=3 647 B11R1.222 COC(=O)c1ccccc1F TS56255 [0,1,0,0,0,1|1,0,0]=3 648 B11R1.222 COC(=O)c1ccccc1I TS29742 [0,1,0,0,0,1|1,0,0]=3 649 B11R1.222 COC(=O)c1ccccc1N TS56313 [0,1,0,0,0,1|1,0,0]=3 650 B11R1.222 COC(=O)c1ccccc1O TS10129 [0,1,0,0,0,1|1,0,0]=3 651 B11R1.222 COC(=O)c1ccccc1S TS44891 [0,1,0,0,0,1|1,0,0]=3 652 B11R1.222 COC(=O)c1cccnc1Br TS59949 [0,1,0,0,0,1|1,0,0]=3 653 B11R1.222 COC(=O)c1cccnc1Cl TS56252 [0,1,0,0,0,1|1,0,0]=3 654 B11R1.222 COC(=O)c1cccnc1F TS01029 [0,1,0,0,0,1|1,0,0]=3 655 B11R1.222 COC(=O)c1cccnc1N TS08546 [0,1,0,0,0,1|1,0,0]=3 656 B11R1.222 COC(=O)c1cccnc1O TS41251 [0,1,0,0,0,1|1,0,0]=3 657 B11R1.222 COC(=O)c1ccn[nH]c1=O TS89730 [0,1,0,0,0,1|2,0,0]=4 658 B11R1.222 COC(=O)c1ccncc1Br TS86589 [0,1,0,0,0,1|1,0,0]=3 659 B11R1.222 COC(=O)c1ccncc1I TS70635 [0,1,0,0,0,1|1,0,0]=3 660 B11R1.222 COC(=O)c1ccncc1N TS41123 [0,1,0,0,0,1|1,0,0]=3 661 B11R1.222 COC(=O)c1ccncc1O TS41246 [0,1,0,0,0,1|1,0,0]=3 662 B11R1.222 COC(=O)c1ccnnc1N TS94860 [0,1,0,0,0,1|2,0,0]=4 663 B11R1.222 COC(=O)c1cnccc1Cl TS09678 [0,1,0,0,0,1|1,0,0]=3 664 B11R1.222 COC(=O)c1cnccc1N TS08595 [0,1,0,0,0,1|1,0,0]=3 665 B11R1.222 COC(=O)c1cnccc1O TS16569 [0,1,0,0,0,1|1,0,0]=3 666 B11R1.222 Cc1c(cccn1)C(=O)OC TS56260 [0,1,0,0,0,1|1,0,0]=3 667 B11R1.222 Cc1ccccc1C(=O)NC TS40759 [0,1,0,0,0,1|2,0,0]=4 668 B11R1.222 Cc1ccccc1C(=O)OC TS09866 [0,1,0,0,0,1|1,0,0]=3 669 B11R1.222 Cc1cccnc1C(=O)OC TS10019 [0,1,0,0,0,1|1,0,0]=3 670 B11R1.222 Cc1ccncc1C(=O)OC TS16573 [0,1,0,0,0,1|1,0,0]=3 671 B11R1.222 Cc1cnccc1C(=O)OC TS90300 [0,1,0,0,0,1|1,0,0]=3 672 B11R1.222 Cc1cnncc1C(=O)OC TS91909 [0,1,0,0,0,1|2,0,0]=4 673 B11R1.30 CCOC(=O)Cc1ccc[nH]1 TS87512 [0,1,0,0,0,1|1,0,0]=3 674 B11R1.30 CCOC(=O)Cc1cccs1 TS12824 [0,1,0,0,0,1|0,1,0]=3 675 B11R1.30 CCOC(=O)Cc1ccsc1 TS12827 [0,1,0,0,0,1|2,0,0]=4 676 B11R1.30 CCOC(=O)Cn1cccn1 TS33044 [0,1,0,0,0,1|2,0,0]=4 677 B11R1.30 CCOC(=O)Nc1cccs1 TS13018 [0,1,0,0,0,1|0,1,0]=3 678 B11R1.31 CN(C(=O)c1ccco1)OC TS39913 [0,1,0,0,0,1|2,0,0]=4 679 B11R1.39 COC(=O)Cc1cnc(s1)N TS45461 [0,1,0,0,0,1|1,1,0]=4 680 B11R1.39 COC(=O)Cc1cnc(s1)N TS87195 [0,1,0,0,0,1|1,1,0]=4 681 B11R1.39 COC(=O)Cc1csc(n1)N TS45463 [0,1,0,0,0,1|2,0,0]=4 682 B11R1.39 COC(=O)Cc1nc(cs1)Cl TS92770 [0,1,0,0,0,1|1,1,0]=4 683 B11R1.39 COC(=O)Cc1ncc(s1)Cl TS92754 [0,1,0,0,0,1|1,1,0]=4 684 B11R1.228 Cn1cccc1CC(=O)OC TS47004 [0,1,0,0,0,1|1,0,0]=3 685 B11R1.15 CCOC(=O)c1c[nH]c(n1)S TS45470 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.15 CCOC(=O)c1cc([nH]n1)N TS55952 [0,2,0,0,0,0|2,0,0]=4 687 B11R1.15 CCOC(=O)c1cc(c[nH]1)Br TS16548 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.15 CCOC(=O)c1cc(c[nH]1)C TS32819 [0,2,0,0,0,0|1,0,0]=3 689 B11R1.15 CCOC(=O)c1cc(c[nH]1)N TS65113 [0,2,0,0,0,0|1,0,0]=3 690 B11R1.15 CCOC(=O)c1cc(cs1)C TS94883 [0,2,0,0,0,0|0,1,0]=3 691 B11R1.15 CCOC(=O)c1cc(n[nH]1)C TS41374 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.15 CCOC(=O)c1cc(on1)C TS08518 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.15 CCOC(=O)c1cc(sc1)Br TS56618 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.15 CCOC(=O)c1ccc([nH]1)C TS02261 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.15 CCOC(=O)c1ccc(s1)Br TS71472 [0,2,0,0,0,0|0,1,0]=3 696 B11R1.15 CCOC(=O)c1ccc(s1)Cl TS60123 [0,2,0,0,0,0|0,1,0]=3 697 B11R1.15 CCOC(=O)c1ccn(n1)C TS41371 [0,2,0,0,0,0|2,0,0]=4 698 B11R1.15 CCOC(=O)c1cn(cn1)C TS90436 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.15 CCOC(=O)c1cnc([nH]1)N TS10576 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.15 CCOC(=O)c1cnc(o1)N TS41587 [0,2,0,0,0,0|1,0,0]=3 701 B11R1.15 CCOC(=O)c1cnc(s1)Br TS55908 [0,2,0,0,0,0|1,1,0]=4 702 B11R1.15 CCOC(=O)c1cnc(s1)C TS55922 [0,2,0,0,0,0|1,1,0]=4 703 B11R1.15 CCOC(=O)c1cnc(s1)Cl TS55917 [0,2,0,0,0,0|1,1,0]=4 704 B11R1.15 CCOC(=O)c1cnc(s1)N TS08495 [0,2,0,0,0,0|1,1,0]=4 705 B11R1.15 CCOC(=O)c1coc(n1)Br TS85680 [0,2,0,0,0,0|2,0,0]=4 706 B11R1.15 CCOC(=O)c1coc(n1)Cl TS55915 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.15 CCOC(=O)c1coc(n1)N TS08494 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.15 CCOC(=O)c1csc(n1)Br TS55907 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.15 CCOC(=O)c1csc(n1)C TS13011 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.15 CCOC(=O)c1csc(n1)N TS93873 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.15 CCOC(=O)c1nc(co1)C TS55941 [0,2,0,0,0,0|1,0,0]=3 712 B11R1.15 CCOC(=O)c1nc(cs1)Br TS86329 [0,2,0,0,0,0|1,1,0]=4 713 B11R1.15 CCOC(=O)c1nc(cs1)C TS45326 [0,2,0,0,0,0|1,1,0]=4 714 B11R1.15 CCOC(=O)c1nc(no1)Br TS23220 [0,2,0,0,0,0|2,0,0]=4 715 B11R1.15 CCOC(=O)c1nnc(o1)C TS41591 [0,2,0,0,0,0|2,0,0]=4 716 B11R1.29 C=CCOC(=O)c1ccco1 TS10141 [0,2,0,0,0,0|0,0,0]=2 717 B11R1.29 CCCOC(=O)c1ccco1 TS10415 [0,2,0,0,0,0|0,0,0]=2 718 B11R1.29 c1cc(sc1)C(=O)CCCCl TS16095 [0,2,0,0,0,0|1,1,0]=4 719 B11R1.77 CC(=O)CC(=O)c1ccco1 TS10127 [0,2,0,0,0,0|1,0,0]=3 720 B11R1.199 CCOC(=O)c1c([nH]cn1)C TS55475 [0,2,0,0,0,0|2,0,0]=4 721 B11R1.199 CCOC(=O)c1c(c[nH]n1)Br TS86708 [0,2,0,0,0,0|2,0,0]=4 722 B11R1.199 CCOC(=O)c1c(c[nH]n1)I TS92592 [0,2,0,0,0,0|2,0,0]=4 723 B11R1.199 CCOC(=O)c1c(cc[nH]1)C TS85098 [0,2,0,0,0,0|1,0,0]=3 724 B11R1.199 CCOC(=O)c1c(cc[nH]1)F TS91242 [0,2,0,0,0,0|1,0,0]=3 725 B11R1.199 CCOC(=O)c1c(cc[nH]1)N TS08506 [0,2,0,0,0,0|1,0,0]=3 726 B11R1.199 CCOC(=O)c1c(ccs1)Br TS25690 [0,2,0,0,0,0|0,1,0]=3 727 B11R1.199 CCOC(=O)c1c(con1)C TS41491 [0,2,0,0,0,0|2,0,0]=4 728 B11R1.199 CCOC(=O)c1c(nco1)C TS33048 [0,2,0,0,0,0|1,0,0]=3 729 B11R1.199 CCOC(=O)c1c(ncs1)Br TS70982 [0,2,0,0,0,0|1,1,0]=4 730 B11R1.199 CCOC(=O)c1c(ocn1)C TS41504 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.199 CCOC(=O)c1c(scn1)Br TS08516 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.199 CCOC(=O)c1c[nH]cc1C TS10314 [0,2,0,0,0,0|2,0,0]=4 733 B11R1.199 CCOC(=O)c1cc[nH]c1C TS55201 [0,2,0,0,0,0|2,0,0]=4 734 B11R1.199 CCOC(=O)c1ccnn1C TS41376 [0,2,0,0,0,0|2,0,0]=4 735 B11R1.199 CCOC(=O)c1ccoc1C TS10403 [0,2,0,0,0,0|2,0,0]=4 736 B11R1.199 CCOC(=O)c1ccsc1C TS12835 [0,2,0,0,0,0|2,0,0]=4 737 B11R1.199 CCOC(=O)c1ccsc1N TS08473 [0,2,0,0,0,0|2,0,0]=4 738 B11R1.199 CCOC(=O)c1cncn1C TS10428 [0,2,0,0,0,0|2,0,0]=4 739 B11R1.199 CCOC(=O)c1nccn1C TS55899 [0,2,0,0,0,0|2,0,0]=4 740 B11R1.44 CCc1cc([nH]n1)C(=O)OC TS70558 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.44 COC(=O)c1cc(sc1)C=O TS56256 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.44 COC(=O)c1ccc(o1)CBr TS22522 [0,2,0,0,0,0|0,0,0]=2 743 B11R1.44 COC(=O)c1ccc(o1)CCl TS45864 [0,2,0,0,0,0|0,0,0]=2 744 B11R1.44 COC(=O)c1ccc(s1)C=O TS45123 [0,2,0,0,0,0|0,1,0]=3 745 B11R1.44 COC(=O)c1cnc(s1)C#N TS91385 [0,2,0,0,0,0|1,1,0]=4 746 B11R1.44 COC(=O)c1cnc(s1)C=O TS92282 [0,2,0,0,0,0|1,1,0]=4 747 B11R1.44 COC(=O)c1coc(n1)CBr TS49697 [0,2,0,0,0,0|2,0,0]=4 748 B11R1.44 COC(=O)c1coc(n1)CCl TS56231 [0,2,0,0,0,0|2,0,0]=4 749 B11R1.44 COC(=O)c1coc(n1)CI TS30365 [0,2,0,0,0,0|2,0,0]=4 750 B11R1.44 COC(=O)c1csc(n1)CCl TS51369 [0,2,0,0,0,0|2,0,0]=4 751 B11R1.225 COC(=O)c1c(cc(s1)Br)N TS56744 [0,2,0,0,0,0|0,1,0]=3 752 B11R1.225 COC(=O)c1c(sc(n1)N)Br TS08544 [0,2,0,0,0,0|2,0,0]=4 753 B11R1.225 COC(=O)c1c(sc(n1)N)Cl TS00780 [0,2,0,0,0,0|2,0,0]=4 754 B11R1.225 COC(=O)c1cc(sc1Cl)Cl TS43941 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.225 Cc1c(sc(n1)N)C(=O)OC TS45462 [0,2,0,0,0,0|1,1,0]=4 756 B11R1.225 Cc1cc(c([nH]1)C)C(=O)OC TS41269 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.225 Cc1cc(c(s1)C(=O)OC)N TS86914 [0,2,0,0,0,0|0,1,0]=3 758 B11R1.225 Cn1c(cc(n1)Cl)C(=O)OC TS90613 [0,2,0,0,0,0|2,0,0]=4 759 B11R1.225 Cn1c(cc(n1)N)C(=O)OC TS08566 [0,2,0,0,0,0|2,0,0]=4 760 B11R1.225 Cn1c(cc(n1)O)C(=O)OC TS10663 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.226 COC(=O)c1cc(c([nH]1)Br)Br TS34488 [0,2,0,0,0,0|1,0,0]=3 762 B11R1.226 COC(=O)c1cc(c(s1)Br)F TS57189 [0,2,0,0,0,0|0,1,0]=3 763 B11R1.226 COC(=O)c1cc(c(s1)Cl)N TS02984 [0,2,0,0,0,0|0,1,0]=3 764 B11R1.226 Cn1c(cc(n1)C(=O)OC)O TS32995 [0,2,0,0,0,0|2,0,0]=4 765 B11R1.865 COC(=O)c1c(c(cs1)Br)F TS57187 [0,2,0,0,0,0|0,1,0]=3 766 B11R1.865 COC(=O)c1c(c(cs1)Br)O TS56898 [0,2,0,0,0,0|0,1,0]=3 767 B11R1.865 COC(=O)c1c(c(sn1)Cl)Cl TS21251 [0,2,0,0,0,0|2,0,0]=4 768 B11R1.865 Cc1csc(c1Cl)C(=O)OC TS51205 [0,2,0,0,0,0|0,1,0]=3 769 B11R1.865 Cc1csc(c1N)C(=O)OC TS08572 [0,2,0,0,0,0|0,1,0]=3 770 B11R1.865 Cn1c(cnc1S)C(=O)OC TS13166 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.357 CC(C)(C)C(=O)c1cccs1 TS12581 [0,2,0,0,0,0|1,1,0]=4 772 B11R1.59 COC(=O)c1c([nH]cn1)CO TS41583 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.59 COC(=O)c1c(ccs1)CBr TS56620 [0,2,0,0,0,0|0,1,0]=3 774 B11R1.59 COC(=O)c1ccoc1CN TS10562 [0,2,0,0,0,0|2,0,0]=4 775 B11R1.59 COc1ccsc1C(=O)OC TS45455 [0,2,0,0,0,0|0,1,0]=3 776 B11R1.59 COc1cscc1C(=O)OC TS45456 [0,2,0,0,0,0|2,0,0]=4 777 B11R1.875 COC(=O)N1C(=O)C=CC1=O TS10553 [0,2,0,0,0,0|2,0,0]=4 778 B9R1.3 Cc1cccc(c1C)O TS07901 [0,0,1,1,0,0|2,0,0]=4 779 B9R1.3 Cc1cccc(c1F)O TS08401 [0,0,1,1,0,0|2,0,0]=4 780 B9R1.3 Cc1cccc(c1N)O TS47377 [0,0,1,1,0,0|2,0,0]=4 781 B9R1.3 Cc1cccc(c1O)O TS32601 [0,0,1,1,0,0|1,0,1]=4 782 B9R1.3 Cn1cccc(c1=O)Br TS91255 [0,0,1,1,0,0|2,0,0]=4 783 B9R1.3 Cn1cccc(c1=O)N TS86768 [0,0,1,1,0,0|2,0,0]=4 784 B9R1.5 c1ccc(c(=O)cc1)O TS32491 [0,0,1,1,0,0|1,0,1]=4 785 B9R1.15 CCc1ccccc1O TS04900 [0,0,1,1,0,0|2,0,0]=4 786 B9R1.15 CNc1ccccc1O TS04968 [0,0,1,1,0,0|2,0,0]=4 787 B9R1.15 COc1c(cccn1)Br TS65905 [0,0,1,1,0,0|2,0,0]=4 788 B9R1.15 COc1c(cccn1)Cl TS65976 [0,0,1,1,0,0|2,0,0]=4 789 B9R1.15 COc1c(cccn1)F TS36212 [0,0,1,1,0,0|2,0,0]=4 790 B9R1.15 COc1c(cccn1)I TS02808 [0,0,1,1,0,0|2,0,0]=4 791 B9R1.15 COc1c(cccn1)N TS02635 [0,0,1,1,0,0|2,0,0]=4 792 B9R1.15 COc1ccccc1Br TS00023 [0,0,1,1,0,0|2,0,0]=4 793 B9R1.15 COc1ccccc1Cl TS37688 [0,0,1,1,0,0|2,0,0]=4 794 B9R1.15 COc1ccccc1F TS60288 [0,0,1,1,0,0|2,0,0]=4 795 B9R1.15 COc1ccccc1I TS09308 [0,0,1,1,0,0|2,0,0]=4 796 B9R1.15 COc1ccccc1N TS29238 [0,0,1,1,0,0|2,0,0]=4 797 B9R1.15 COc1ccccc1N TS59329 [0,0,1,1,0,0|2,0,0]=4 798 B9R1.15 COc1ccccc1P TS06425 [0,0,1,1,0,0|2,0,0]=4 799 B9R1.15 COc1ccccc1S TS37393 [0,0,1,1,0,0|1,1,0]=4 800 B9R1.15 COc1ccccc1[Zn+] TS74540 [0,0,1,1,0,0|2,0,0]=4 801 B9R1.15 COc1cccnc1O TS55383 [0,0,1,1,0,0|2,0,0]=4 802 B9R1.15 CSc1ccccc1O TS37395 [0,0,1,1,0,0|1,1,0]=4 803 B9R1.15 Cc1ccccc1OC TS32508 [0,0,1,1,0,0|2,0,0]=4 804 B9R1.15 Cc1cccnc1OC TS04965 [0,0,1,1,0,0|2,0,0]=4 805 B9R1.2 CCc1cccc(c1)O TS04895 [0,0,1,1,0,0|2,0,0]=4 806 B9R1.2 COc1cc(cnc1)O TS55469 [0,0,1,1,0,0|2,0,0]=4 807 B9R1.2 COc1cccc(c1)Br TS00028 [0,0,1,1,0,0|2,0,0]=4 808 B9R1.2 COc1cccc(c1)Cl TS37686 [0,0,1,1,0,0|2,0,0]=4 809 B9R1.2 COc1cccc(c1)F TS70591 [0,0,1,1,0,0|2,0,0]=4 810 B9R1.2 COc1cccc(c1)I TS39445 [0,0,1,1,0,0|2,0,0]=4 811 B9R1.2 COc1cccc(c1)N TS02081 [0,0,1,1,0,0|2,0,0]=4 812 B9R1.2 COc1cccc(c1)N TS11191 [0,0,1,1,0,0|2,0,0]=4 813 B9R1.2 COc1cccc(c1)O TS39714 [0,0,1,1,0,0|1,0,0]=3 814 B9R1.2 COc1cccc(c1)S TS70650 [0,0,1,1,0,0|1,1,0]=4 815 B9R1.2 COc1cccc(c1)[Zn+] TS74541 [0,0,1,1,0,0|2,0,0]=4 816 B9R1.2 COc1cccc(n1)Br TS08366 [0,0,1,1,0,0|2,0,0]=4 817 B9R1.2 COc1cccc(n1)Cl TS55270 [0,0,1,1,0,0|2,0,0]=4 818 B9R1.2 COc1cccc(n1)I TS56597 [0,0,1,1,0,0|2,0,0]=4 819 B9R1.2 COc1cccc(n1)O TS05074 [0,0,1,1,0,0|1,0,0]=3 820 B9R1.2 Cc1cccc(c1)OC TS32509 [0,0,1,1,0,0|2,0,0]=4 821 B9R1.2 Cc1cccc(n1)OC TS00087 [0,0,1,1,0,0|2,0,0]=4 822 B11R2.1 c1cc2c(nc1)C(=O)CC2 TS71343 [0,0,0,1,0,1|2,0,0]=4 823 B11R2.1 c1cc2c(nc1)CCC2=O TS01198 [0,0,0,1,0,1|2,0,0]=4 824 B11R2.1 c1cc2c(nc1)COC2=O TS05972 [0,0,0,1,0,1|1,0,0]=3 825 B11R2.1 c1ccc2c(c1)CCC2=O TS46969 [0,0,0,1,0,1|2,0,0]=4 826 B11R2.1 c1ccc2c(c1)COC2=O TS36800 [0,0,0,1,0,1|1,0,0]=3 827 B11R2.1 c1ccc2c(c1)COC2=O TS94299 [0,0,0,1,0,1|1,0,0]=3 828 B11R2.1 c1cncc2c1CNC2=O TS91296 [0,0,0,1,0,1|2,0,0]=4 829 B11R2.1 c1cncc2c1COC2=O TS05973 [0,0,0,1,0,1|1,0,0]=3 830 B11R2.2 c1cc(oc1)c2cnco2 TS05965 [0,1,0,1,0,0|1,0,1]=4 831 B11R2.106 c1c[nH]c(=O)c2c1cco2 TS91070 [0,1,0,1,0,0|1,0,1]=4 832 B11R2.106 c1csc2c1CCCC2=O TS41165 [0,1,0,1,0,0|1,1,0]=4 833 B11R2.202 c1csc2c1C(CC2=O)N TS50989 [0,1,0,1,0,0|1,1,0]=4 834 B11R2.1031 c1cc(sc1)C(=O)C2CC2 TS41169 [0,1,0,1,0,0|1,1,0]=4 835 B7R1.22 COC(=O)[C@@H]1CO1 TS31582 [0,0,0,0,2,0|0,0,2]=4 836 B7R1.22 COC(=O)[C@H]1CO1 TS46617 [0,0,0,0,2,0|0,0,2]=4 837 B9R1.6 C1CC(OC=C1)C(=O)O TS36279 [1,0,0,0,0,1|0,0,2]=4 838 B9R1.6 CC(=C)c1ccccc1 TS32349 [1,0,0,0,0,1|2,0,0]=4 839 B9R1.6 CC(=O)c1ccccc1 TS32455 [1,0,0,0,0,1|1,0,0]=3 840 B9R1.6 CC(=O)c1ccccc1 TS32456 [1,0,0,0,0,1|1,0,0]=3 841 B9R1.6 CC(=O)c1ccccc1 TS38236 [1,0,0,0,0,1|1,0,0]=3 842 B9R1.6 CC(=O)c1ccccc1 TS55713 [1,0,0,0,0,1|1,0,0]=3 843 B9R1.6 CC(=O)c1ccccn1 TS04861 [1,0,0,0,0,1|1,0,0]=3 844 B9R1.6 CC(=O)c1cccnc1 TS65831 [1,0,0,0,0,1|1,0,0]=3 845 B9R1.6 CC(=O)c1cccnn1 TS87133 [1,0,0,0,0,1|1,0,0]=3 846 B9R1.6 CC(=O)c1ccncc1 TS02952 [1,0,0,0,0,1|1,0,0]=3 847 B9R1.6 CC(=O)c1ccncn1 TS87400 [1,0,0,0,0,1|1,0,0]=3 848 B9R1.6 CC(=O)c1ccnnc1 TS89714 [1,0,0,0,0,1|2,0,0]=4 849 B9R1.6 CC(=O)c1cnccn1 TS55718 [1,0,0,0,0,1|1,0,0]=3 850 B9R1.6 CC(=O)c1cncnc1 TS46735 [1,0,0,0,0,1|2,0,0]=4 851 B9R1.6 CC(=O)c1ncccn1 TS91588 [1,0,0,0,0,1|1,0,0]=3 852 B9R1.6 c1c(cncn1)C(=O)O TS11330 [1,0,0,0,0,1|2,0,0]=4 853 B9R1.6 c1c(cncn1)C(=O)O TS88781 [1,0,0,0,0,1|2,0,0]=4 854 B9R1.6 c1cc(cnc1)C(=O)Cl TS01937 [1,0,0,0,0,1|2,0,0]=4 855 B9R1.6 c1cc(cnc1)C(=O)Cl TS56401 [1,0,0,0,0,1|2,0,0]=4 856 B9R1.6 c1cc(cnc1)C(=O)N TS32591 [1,0,0,0,0,1|2,0,0]=4 857 B9R1.6 c1cc(cnc1)C(=O)N TS62787 [1,0,0,0,0,1|2,0,0]=4 858 B9R1.6 c1cc(cnc1)C(=O)N TS65239 [1,0,0,0,0,1|2,0,0]=4 859 B9R1.6 c1cc(cnc1)C(=O)O TS36046 [1,0,0,0,0,1|1,0,0]=3 860 B9R1.6 c1cc(cnc1)C(=O)[O-] TS07068 [1,0,0,0,0,1|1,0,1]=4 861 B9R1.6 c1cc(cnc1)C(=O)[O-] TS73812 [1,0,0,0,0,1|1,0,1]=4 862 B9R1.6 c1cc(cnc1)C(=O)[O-] TS81627 [1,0,0,0,0,1|1,0,1]=4 863 B9R1.6 c1cc(cnc1)C(=S)O TS37303 [1,0,0,0,0,1|1,1,0]=4 864 B9R1.6 c1cc(nnc1)C(=O)O TS59367 [1,0,0,0,0,1|1,0,0]=3 865 B9R1.6 c1ccc(cc1)C(=O)Br TS15413 [1,0,0,0,0,1|2,0,0]=4 866 B9R1.6 c1ccc(cc1)C(=O)Cl TS37445 [1,0,0,0,0,1|2,0,0]=4 867 B9R1.6 c1ccc(cc1)C(=O)F TS32590 [1,0,0,0,0,1|2,0,0]=4 868 B9R1.6 c1ccc(cc1)C(=O)N TS04862 [1,0,0,0,0,1|2,0,0]=4 869 B9R1.6 c1ccc(cc1)C(=O)O TS20747 [1,0,0,0,0,1|1,0,0]=3 870 B9R1.6 c1ccc(cc1)C(=O)O TS21872 [1,0,0,0,0,1|1,0,0]=3 871 B9R1.6 c1ccc(cc1)C(=O)O TS32552 [1,0,0,0,0,1|1,0,0]=3 872 B9R1.6 c1ccc(cc1)C(=O)O TS46282 [1,0,0,0,0,1|1,0,0]=3 873 B9R1.6 c1ccc(cc1)C(=O)O TS93416 [1,0,0,0,0,1|1,0,0]=3 874 B9R1.6 c1ccc(cc1)C(=O)[O-] TS05306 [1,0,0,0,0,1|1,0,1]=4 875 B9R1.6 c1ccc(cc1)C(=O)[O-] TS06916 [1,0,0,0,0,1|1,0,1]=4 876 B9R1.6 c1ccc(cc1)C(=O)[O-] TS30348 [1,0,0,0,0,1|1,0,1]=4 877 B9R1.6 c1ccc(cc1)C(=O)[O-] TS42179 [1,0,0,0,0,1|1,0,1]=4 878 B9R1.6 c1ccc(cc1)C(=O)[O-] TS52761 [1,0,0,0,0,1|1,0,1]=4 879 B9R1.6 c1ccc(cc1)C(=S)O TS06290 [1,0,0,0,0,1|1,1,0]=4 880 B9R1.6 c1ccc(cc1)P(=O)O TS59341 [1,0,0,0,0,1|2,0,0]=4 881 B9R1.6 c1ccnc(c1)C(=O)Cl TS46362 [1,0,0,0,0,1|2,0,0]=4 882 B9R1.6 c1ccnc(c1)C(=O)N TS32493 [1,0,0,0,0,1|2,0,0]=4 883 B9R1.6 c1ccnc(c1)C(=O)O TS02470 [1,0,0,0,0,1|1,0,0]=3 884 B9R1.6 c1ccnc(c1)C(=O)[O-] TS07067 [1,0,0,0,0,1|1,0,1]=4 885 B9R1.6 c1ccnc(c1)C(=O)[O-] TS58877 [1,0,0,0,0,1|1,0,1]=4 886 B9R1.6 c1ccnc(c1)C(=O)[O-] TS76363 [1,0,0,0,0,1|1,0,1]=4 887 B9R1.6 c1ccnc(c1)C(=O)[O-] TS81628 [1,0,0,0,0,1|1,0,1]=4 888 B9R1.6 c1ccnc(c1)C(=O)[O-] TS93320 [1,0,0,0,0,1|1,0,1]=4 889 B9R1.6 c1cnc(cn1)C(=O)Cl TS37679 [1,0,0,0,0,1|2,0,0]=4 890 B9R1.6 c1cnc(cn1)C(=O)O TS59361 [1,0,0,0,0,1|1,0,0]=3 891 B9R1.6 c1cnc(nc1)C(=O)O TS87638 [1,0,0,0,0,1|1,0,0]=3 892 B9R1.6 c1cnccc1C(=O)Cl TS46358 [1,0,0,0,0,1|2,0,0]=4 893 B9R1.6 c1cnccc1C(=O)N TS74511 [1,0,0,0,0,1|2,0,0]=4 894 B9R1.6 c1cnccc1C(=O)O TS01508 [1,0,0,0,0,1|1,0,0]=3 895 B9R1.6 c1cnccc1C(=O)[O-] TS07066 [1,0,0,0,0,1|1,0,1]=4 896 B9R1.6 c1cncnc1C(=O)O TS90236 [1,0,0,0,0,1|1,0,0]=3 897 B9R1.6 c1cnnc(n1)C(=O)O TS36044 [1,0,0,0,0,1|2,0,0]=4 898 B9R1.6 c1cnncc1C(=O)O TS59368 [1,0,0,0,0,1|2,0,0]=4 899 B9R1.8 CC=Cc1ccccc1 TS32346 [1,0,0,0,0,1|2,0,0]=4 900 B9R1.8 COCc1ccccc1 TS04897 [1,0,0,0,0,1|1,0,1]=4 901 B9R1.8 COCc1ccccn1 TS00518 [1,0,0,0,0,1|1,0,1]=4 902 B11R1.40 CCC(=O)Cc1ccccc1 TS07483 [0,0,0,0,0,2|2,0,0]=4 903 B11R1.40 CCC(=O)Nc1ccccc1 TS29506 [0,0,0,0,0,2|2,0,0]=4 904 B11R1.40 CNC(=O)Nc1ccccc1 TS09898 [0,0,0,0,0,2|2,0,0]=4 905 B11R1.40 COC(=O)Cc1ccccc1 TS00242 [0,0,0,0,0,2|1,0,0]=3 906 B11R1.40 COC(=O)Cc1ccccn1 TS39400 [0,0,0,0,0,2|1,0,0]=3 907 B11R1.40 COC(=O)Cc1cccnc1 TS90627 [0,0,0,0,0,2|1,0,0]=3 908 B11R1.40 COC(=O)Cc1cccnn1 TS85573 [0,0,0,0,0,2|1,0,0]=3 909 B11R1.40 COC(=O)Cc1ccncc1 TS10039 [0,0,0,0,0,2|1,0,0]=3 910 B11R1.40 COC(=O)Cc1ccncn1 TS88322 [0,0,0,0,0,2|1,0,0]=3 911 B11R1.40 COC(=O)Cc1ccnnc1 TS90137 [0,0,0,0,0,2|2,0,0]=4 912 B11R1.40 COC(=O)Cc1cnccn1 TS88028 [0,0,0,0,0,2|1,0,0]=3 913 B11R1.40 COC(=O)Nc1ccccc1 TS41003 [0,0,0,0,0,2|1,0,0]=3 914 B11R1.25 C=CC(=O)OCc1ccco1 TS10140 [0,0,0,0,0,2|1,0,1]=4 915 B11R1.25 CCC(=O)OCc1ccco1 TS41356 [0,0,0,0,0,2|1,0,0]=3 916 B11R1.25 CCC(=S)OCc1ccco1 TS12832 [0,0,0,0,0,2|1,1,0]=4 917 B11R1.25 COC(=O)C=Cc1cccs1 TS44888 [0,0,0,0,0,2|0,1,0]=3 918 B11R1.25 COC(=O)CCc1cccs1 TS45152 [0,0,0,0,0,2|0,1,0]=3 919 B11R1.25 c1cc(oc1)CCC(=O)NN TS41373 [0,0,0,0,0,2|2,0,0]=4 920 B11R1.25 c1cc(oc1)CNC(=O)CCl TS13409 [0,0,0,0,0,2|2,0,0]=4