0 B8R0.7 CCO\C=C\C=[N+](C)C AB72038 [0,1,0,0,0,0|3,0,0]=4 1 B8R1.2 C#Cc1ccccn1 PB17077 [0,0,0,1,0,0|1,0,2]=4 2 B8R1.2 C1CC(OC=C1)C=O PB24581 [0,0,0,1,0,0|1,0,1]=3 3 B8R1.2 CNc1cccnc1 AB09114 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.2 CNc1ccncn1 AB60623 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.2 CNc1ncccn1 AB05135 [0,0,0,1,0,0|3,0,0]=4 6 B8R1.2 COc1cccnc1 AB06864 [0,0,0,1,0,0|3,0,0]=4 7 B8R1.2 COc1cccnn1 AB05130 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.2 c1c(cncn1)C=O PB32342 [0,0,0,1,0,0|2,0,1]=4 9 B8R1.2 c1cc(cnc1)C=O AB00744 [0,0,0,1,0,0|1,0,1]=3 10 B8R1.2 c1cc(cnc1)CCl AB01984 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.2 c1cc(cnc1)CN AB00752 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.2 c1cc(nnc1)C=O PB20119 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.2 c1cc(nnc1)CCl PB28814 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.2 c1cc(nnc1)CN PB29341 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.2 c1cc(nnc1)CO PB30818 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.2 c1ccnc(c1)C=O AB00680 [0,0,0,1,0,0|1,0,1]=3 17 B8R1.2 c1ccnc(c1)CBr MB02148 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.2 c1ccnc(c1)CCl AB22495 [0,0,0,1,0,0|2,0,0]=3 19 B8R1.2 c1ccnc(c1)CN AB00731 [0,0,0,1,0,0|2,0,0]=3 20 B8R1.2 c1cnc(cn1)C=O PB19982 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.2 c1cnc(cn1)CCl PB20483 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.2 c1cnc(cn1)CN PB14180 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.2 c1cnc(cn1)CO PB21779 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.2 c1cnc(nc1)C=O PB34235 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.2 c1cnc(nc1)CCl PB20403 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.2 c1cnc(nc1)CN CB11589 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.2 c1cnc(nc1)CN PB23443 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.2 c1cnc(nc1)CO PB12410 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.2 c1cnccc1C=O AB00754 [0,0,0,1,0,0|1,0,2]=4 30 B8R1.2 c1cnccc1CCl AB15539 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.2 c1cnccc1CN AB00767 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.2 c1cncnc1C=O AB16150 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.2 c1cncnc1CCl AB58895 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.2 c1cncnc1CN PB10439 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.2 c1cncnc1CO PB12296 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.2 c1cnncc1C=O PB17346 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.5 CC1C=CN=NC1=O PB32620 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.5 Cc1c(cccn1)Br PB27472 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.5 Cc1c(cccn1)Cl AB17903 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.5 Cc1c(cccn1)F AB48604 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.5 Cc1c(cccn1)N PB33695 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.5 Cc1c(cccn1)O PB18442 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.5 Cc1cccnc1Br AB05448 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.5 Cc1cccnc1Cl AB05179 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.5 Cc1cccnc1N AB17908 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.5 Cc1cccnc1O AB03538 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.5 Cc1ccncc1Br AB03104 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.5 Cc1ccncc1Cl AB18019 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.5 Cc1ccncc1F AB18002 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.5 Cc1ccncc1N PB14127 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.5 Cc1ccncc1O PB23391 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.5 Cc1cnccc1Br AB20846 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.5 Cc1cnccc1Br PB23248 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.5 Cc1cnccc1Cl AB11511 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.5 Cc1cnccc1F AB18013 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.5 Cc1cnccc1N PB17234 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [0,0,0,1,0,0|2,1,0]=4 59 B8R1.8 C1C=NC(=N1)CC=O AB45831 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.8 CNCc1cccs1 AB13997 [0,0,0,1,0,0|1,1,1]=4 61 B8R1.8 c1cc(sc1)CCN PB12982 [0,0,0,1,0,0|1,1,1]=4 62 B8R1.8 c1cc(sc1)CCO PB32074 [0,0,0,1,0,0|1,1,1]=4 63 B8R1.11 C1CC(=O)C(=C1)CO MB05797 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.11 CC1=C(N=CC1)C=O AB01496 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.11 CCn1c(ccn1)N PB15601 [0,0,0,1,0,0|3,0,0]=4 66 B8R1.11 Cc1c(ccs1)C=O AB53893 [0,0,0,1,0,0|1,0,1]=3 67 B8R1.11 Cc1c(ccs1)CCl AB76281 [0,0,0,1,0,0|3,0,0]=4 68 B8R1.11 Cc1c(nco1)C=O AB62633 [0,0,0,1,0,0|2,0,1]=4 69 B8R1.11 Cc1c(ncs1)C=O AB62627 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.11 Cc1c(scn1)C=O CB10986 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.11 Cn1c(ccn1)C=O PB21218 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.11 Cn1c(cnn1)C=O AB57107 [0,0,0,1,0,0|3,0,0]=4 73 B8R1.11 Cn1cccc1C#N AB12660 [0,0,0,1,0,0|2,0,1]=4 74 B8R1.11 Cn1ccnc1C=O PB12922 [0,0,0,1,0,0|2,0,0]=3 75 B8R1.11 Cn1cncc1C=O PB21631 [0,0,0,1,0,0|2,0,0]=3 76 B8R1.11 Cn1cnnc1C=O AB57353 [0,0,0,1,0,0|3,0,0]=4 77 B8R1.11 c1c(c(cs1)Br)C=O AB08778 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.11 c1coc(c1Br)C=O AB31934 [0,0,0,1,0,0|2,0,1]=4 79 B8R1.11 c1csc(c1Br)C=O PB25976 [0,0,0,1,0,0|2,0,1]=4 80 B8R1.11 c1csc(c1Br)CN PB34113 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.11 c1csc(c1Br)CO PB27714 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.11 c1csc(c1CBr)Br PB14291 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.11 c1csc(c1Cl)C=O PB32269 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.11 c1csc(c1Cl)CN PB11803 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.11 c1csc(c1Cl)CO PB23440 [0,0,0,1,0,0|3,0,0]=4 86 B9R0.35 CCOC(=O)\C(=C\C=O)\Br AB70320 [0,2,0,0,0,0|1,0,0]=3 87 B7R1.1 C1C=C(C=N1)C=O AB15013 [1,0,0,1,0,0|1,0,1]=4 88 B7R1.1 C1C=CCC1C=O AB76805 [1,0,0,1,0,0|0,0,2]=4 89 B7R1.1 C1C=CN=C1C=O AB00388 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.1 CCC1=CN=CC1 AB31265 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.1 c1c(nco1)C=O PB23292 [1,0,0,1,0,0|2,0,0]=4 92 B7R1.1 c1c(ncs1)C=O AB06592 [1,0,0,1,0,0|2,0,0]=4 93 B7R1.1 c1c(ocn1)C=O AB11283 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.1 c1c(scn1)C=O AB11293 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.1 c1cc(oc1)CCl MB06568 [1,0,0,1,0,0|1,0,1]=4 96 B7R1.1 c1cc(sc1)CN PB17027 [1,0,0,1,0,0|1,1,0]=4 97 B7R1.1 c1cc(sc1)CO PB10001 [1,0,0,1,0,0|1,1,0]=4 98 B7R1.1 c1cnsc1C=O AB32448 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.1 c1coc(n1)C=O AB14413 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.1 c1conc1C=O PB26237 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.1 c1csc(n1)C=O PB12109 [1,0,0,1,0,0|2,0,0]=4 102 B7R1.1 c1cscc1C=O PB14065 [1,0,0,1,0,0|1,0,1]=4 103 B7R1.1 c1cscc1CN AB13999 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.1 c1cscc1CN PB12237 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.1 c1cscc1CO PB10036 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.3 Cc1cccnn1 PB33649 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.3 Cc1ccncn1 PB17038 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.3 c1ccnc(c1)Br AB00627 [1,0,0,1,0,0|2,0,0]=4 109 B7R1.4 Cc1c(cco1)N AB71442 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.4 Cc1ccsc1Br PB25943 [1,0,0,1,0,0|2,0,0]=4 111 B9R1.2 C1C(=CC=NC1=O)CCl AB59907 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.2 C1C(=CC=NC1=O)CN PB31062 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.2 C1C(=CC=NC1=O)CO PB31863 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.2 CCc1cc(ccn1)O MB11624 [0,1,0,1,0,0|1,0,0]=3 116 B9R1.2 CCc1cc(cnc1)Br PB34416 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.2 CCc1cc(cnc1)O MB12329 [0,1,0,1,0,0|1,0,1]=4 118 B9R1.2 CCc1cc(ncn1)Br MB09510 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.2 CCc1cc(ncn1)Cl AB51253 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.2 CCc1cc(ncn1)N AB54955 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.2 CCc1cc(ncn1)O AB54953 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.2 CCc1nccc(n1)Cl AB51249 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.2 CNc1cc(ccn1)Br MB07801 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.2 CNc1cc(ccn1)O MB29569 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.2 CNc1cc[nH]c(=O)n1 AB60627 [0,1,0,1,0,0|2,0,0]=4 127 B9R1.2 CNc1cccc(c1)O MB25493 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.2 CNc1cccc(n1)Br AB50070 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.2 COc1cc(ccn1)Br AB44876 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.2 COc1cc(ccn1)Cl AB27571 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.2 COc1cc(ccn1)F AB53299 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.2 COc1cc(ccn1)I MB06098 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.2 COc1cc(ccn1)N PB20942 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.2 COc1cc(ccn1)O MB11972 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.2 COc1cccc(n1)Cl AB00671 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.2 COc1cccc(n1)F AB55818 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.2 COc1cccc(n1)I AB31101 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.2 COc1cccc(n1)N AB21183 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.2 COc1cccc(n1)O AB31854 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.2 CSc1cc(ccn1)Br MB09718 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.2 CSc1cc(ccn1)O MB36936 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.2 CSc1cccc(n1)Br MB07302 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.2 Cc1cc(ccn1)C=O AB24827 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.2 Cc1cc(cnc1)C=O PB18860 [0,1,0,1,0,0|1,0,1]=4 147 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,1,0,1,0,0|0,0,1]=3 148 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.2 Cc1cccc(n1)NC AB60602 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.2 Cc1ccnc(n1)C=O PB28177 [0,1,0,1,0,0|1,0,1]=4 154 B9R1.2 Cc1cncc(n1)C=O AB62637 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.2 Cc1nccc(n1)C=O AB52721 [0,1,0,1,0,0|1,0,1]=4 156 B9R1.2 c1c(cncc1Br)C=O PB10234 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.2 c1c(cncc1Cl)C=O PB29540 [0,1,0,1,0,0|1,0,1]=4 158 B9R1.2 c1c(cncc1F)C=O PB12469 [0,1,0,1,0,0|1,0,1]=4 159 B9R1.2 c1c(cncc1I)C=O AB45533 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.2 c1c(cncc1N)C=O AB67741 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.2 c1c(cncc1O)C=O AB67779 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.2 c1cc(nc(c1)Br)C=O PB27582 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,1,0,0|2,0,0]=4 168 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.2 c1cc(nc(c1)Cl)C=O AB52723 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.2 c1cc(nc(c1)F)C=O AB13533 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.2 c1cnc(cc1Br)C=O PB10584 [0,1,0,1,0,0|1,0,1]=4 179 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.2 c1cnc(cc1Cl)C=O PB32513 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.2 c1cnc(cc1F)C=O AB68024 [0,1,0,1,0,0|1,0,1]=4 188 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.2 c1cnc(cc1F)CN AB65162 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.2 c1cnc(cc1N)C=O AB68102 [0,1,0,1,0,0|1,0,1]=4 191 B9R1.2 c1cnc(cc1O)C=O AB68125 [0,1,0,1,0,0|1,0,1]=4 192 B9R1.2 c1cnc(cc1O)CN MB14853 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.8 C#CCc1ccccn1 AB73234 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.8 CNCc1ccccn1 AB10674 [0,1,0,1,0,0|1,0,0]=3 195 B9R1.8 CNCc1cccnc1 AB01384 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.8 CNCc1ccncc1 AB02721 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.8 CNCc1cnccn1 PB18749 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.8 CNCc1ncccn1 PB29842 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.8 c1cc(cnc1)CCN AB04606 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.8 c1cc(nnc1)CCN AB61130 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.8 c1ccnc(c1)CC#N AB00727 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.8 c1ccnc(c1)CC=O AB61426 [0,1,0,1,0,0|1,0,1]=4 203 B9R1.8 c1ccnc(c1)CCN AB00732 [0,1,0,1,0,0|1,0,0]=3 204 B9R1.8 c1ccnc(c1)CNN PB19014 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.8 c1cnc(cn1)CCN AB22666 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.8 c1cnc(nc1)CCN AB55156 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.8 c1cnccc1CCN AB01702 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.8 c1cncnc1CCN PB14818 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.12 CNCCc1cccs1 AB18501 [0,1,0,1,0,0|0,1,1]=4 210 B9R1.15 CCc1c(cccn1)Br AB68544 [0,1,0,1,0,0|1,0,0]=3 211 B9R1.15 CCc1c(cccn1)O MB01433 [0,1,0,1,0,0|0,0,1]=3 212 B9R1.15 CCc1c(cncn1)F PB21906 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.15 CCc1ccncc1O MB12325 [0,1,0,1,0,0|0,0,1]=3 214 B9R1.15 CCc1cnccc1Br PB37149 [0,1,0,1,0,0|1,0,0]=3 215 B9R1.15 CCc1cnccc1O MB24095 [0,1,0,1,0,0|0,0,1]=3 216 B9R1.15 CCc1cncnc1Cl AB62552 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.15 CNc1cccnc1Br AB39252 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.15 CNc1ccncc1O MB27525 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.15 CNc1cnccc1O MB29366 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.15 COc1c(cccn1)Br PB20024 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.15 COc1c(cccn1)Cl AB13603 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.15 COc1c(cccn1)F AB13397 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.15 COc1c(cccn1)I AB13400 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.15 COc1c(cccn1)N AB07386 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.15 COc1c(cccn1)O AB06074 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.15 COc1cccnc1Br PB29151 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.15 COc1cccnc1Cl AB14749 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.15 COc1cccnc1I AB05182 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.15 COc1cccnc1N AB40614 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.15 COc1cccnc1O AB43293 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.15 COc1ccncc1Br AB22230 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.15 COc1ccncc1Cl AB51203 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.15 COc1ccncc1F AB66775 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.15 COc1ccncc1I AB09106 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.15 COc1ccncc1N AB40817 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.15 COc1ccncc1O MB09117 [0,1,0,1,0,0|1,0,1]=4 237 B9R1.15 COc1cnccc1Br AB43705 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.15 COc1cnccc1Br MB09674 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.15 COc1cnccc1Cl AB66368 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.15 COc1cnccc1F AB66590 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.15 COc1cnccc1N AB55709 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.15 COc1cnccc1O MB25455 [0,1,0,1,0,0|1,0,1]=4 243 B9R1.15 CSc1c(cccn1)O MB01598 [0,1,0,1,0,0|1,0,1]=4 244 B9R1.15 CSc1cccnc1Br MB13966 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.15 CSc1ccncc1O MB25632 [0,1,0,1,0,0|1,0,1]=4 246 B9R1.15 CSc1cnccc1O MB31499 [0,1,0,1,0,0|1,0,1]=4 247 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,1,0,1,0,0|0,0,1]=3 248 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.15 Cc1c(cccn1)CN AB14093 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.15 Cc1c(cccn1)CO AB01512 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.15 Cc1c(cccn1)OC AB03569 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.15 Cc1c(nccn1)C=O PB13166 [0,1,0,1,0,0|1,0,1]=4 255 B9R1.15 Cc1cccnc1C=O PB14292 [0,1,0,1,0,0|0,0,1]=3 256 B9R1.15 Cc1cccnc1CCl PB32645 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.15 Cc1cccnc1CN AB20671 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.15 Cc1cccnc1CO AB12590 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.15 Cc1cccnc1OC AB31414 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.15 Cc1ccncc1C=O PB23498 [0,1,0,1,0,0|0,0,1]=3 261 B9R1.15 Cc1ccncc1CCl PB22427 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.15 Cc1ccncc1CN PB14440 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.15 Cc1ccncc1CO PB21746 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.15 Cc1cnccc1C=O AB11481 [0,1,0,1,0,0|0,0,1]=3 265 B9R1.15 Cc1cnccc1CCl PB24122 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.15 Cc1cnccc1CN AB17090 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.15 Cc1cnccc1CO PB32359 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [0,1,0,1,0,0|1,0,1]=4 274 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [0,1,0,1,0,0|1,0,1]=4 275 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [0,1,0,1,0,0|1,0,1]=4 276 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [0,1,0,1,0,0|1,0,1]=4 277 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,1,0,1,0,0|1,0,1]=4 288 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,1,0,1,0,0|1,0,1]=4 292 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [0,1,0,1,0,0|1,0,1]=4 293 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [0,1,0,1,0,0|1,0,1]=4 299 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [0,1,0,1,0,0|1,0,1]=4 302 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.15 c1cc[n+](c(c1)CCl)[O-] AB59958 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [0,1,0,1,0,0|0,0,2]=4 305 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,1,0,1,0,0|0,0,2]=4 306 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,1,0,1,0,0|0,0,2]=4 307 B9R1.15 c1cn[nH]c(=O)c1CN PB11396 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.15 c1cncc(c1Br)C=O AB25683 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.15 c1cncc(c1Br)C=O AB53933 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.15 c1cncc(c1Br)CCl AB67965 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.15 c1cncc(c1Br)CN AB67954 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.15 c1cncc(c1C=O)Br PB17335 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.15 c1cncc(c1C=O)Cl AB23043 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.15 c1cncc(c1C=O)F PB32422 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.15 c1cncc(c1C=O)N PB20170 [0,1,0,1,0,0|1,0,1]=4 316 B9R1.15 c1cncc(c1C=O)O AB08714 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.15 c1cncc(c1CCl)Br AB67648 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.15 c1cncc(c1CCl)Cl AB67608 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.15 c1cncc(c1CCl)F AB67665 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.15 c1cncc(c1CN)Br AB63141 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.15 c1cncc(c1CN)Cl AB63139 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.15 c1cncc(c1CN)F AB63136 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.15 c1cncc(c1CN)N AB49287 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.15 c1cncc(c1CN)O MB09249 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.15 c1cncc(c1CO)Br PB19192 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.15 c1cncc(c1CO)F PB29849 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.15 c1cncc(c1CO)N AB25787 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.15 c1cncc(c1Cl)C=O AB17590 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.15 c1cncc(c1Cl)CCl AB60091 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.15 c1cncc(c1Cl)CN AB49675 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.15 c1cncc(c1F)C=O AB32109 [0,1,0,1,0,0|1,0,1]=4 332 B9R1.15 c1cncc(c1F)CCl AB68054 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.15 c1cncc(c1F)CN AB68023 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.15 c1cncc(c1N)C=O AB12471 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.15 c1cncc(c1N)C=O PB27639 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.15 c1cncc(c1N)CCl AB31893 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.15 c1cncc(c1N)CO PB14435 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.15 c1cncc(c1O)C=O AB59870 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.15 c1cncc(c1O)CN MB35531 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.22 Cc1cc(n(n1)C)C=O AB12155 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.22 Cc1cc(sc1C=O)Br AB55882 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.27 CCC1=C(CNC1=O)C AB04375 [0,1,0,1,0,0|1,0,1]=4 343 B9R1.27 Cc1c(n(cn1)C)C=O AB62625 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.27 Cc1cnn(c1C=O)C AB64141 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.27 Cn1cnc(c1C=O)Br PB33964 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.27 Cn1cnc(c1C=O)I PB21761 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.33 CNCc1cccn1C AB22465 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.69 CC1C=C(N=NC1=O)C PB18522 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.69 Cc1ccc(cc1I)O MB07177 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.69 Cc1ccc(cc1O)Br MB05210 [0,1,0,1,0,0|0,0,2]=4 352 B9R1.69 Cc1ccc(cc1O)I MB12091 [0,1,0,1,0,0|0,0,2]=4 353 B9R1.69 Cn1c(=O)cc(cn1)I PB36201 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.69 Cn1c(=O)cc(cn1)N PB19682 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.69 Cn1c(=O)ccc(n1)Cl MB02254 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.69 Cn1cc(ccc1=O)Br PB32830 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.69 Cn1cc(ccc1=O)N PB19693 [0,1,0,1,0,0|1,0,0]=3 358 B9R1.69 Cn1cc(ncc1=O)Br MB15013 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.69 Cn1ccc(cc1=O)Br PB26645 [0,1,0,1,0,0|1,0,0]=3 360 B9R1.69 Cn1ccc(cc1=O)Cl MB19760 [0,1,0,1,0,0|1,0,0]=3 361 B9R1.69 Cn1ccc(cc1=O)I MB14735 [0,1,0,1,0,0|1,0,0]=3 362 B9R1.69 Cn1ccc(cc1=O)N PB11442 [0,1,0,1,0,0|1,0,0]=3 363 B9R1.69 Cn1cnc(cc1=O)Cl MB01596 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.14 CCn1c(ccn1)C=O AB13772 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.14 CCn1c(cnn1)C=O AB84659 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.14 CCn1cncc1C=O AB30574 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.1 C1C(=O)N=CC(=N1)C=O AB60510 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.1 CCc1ccc(cn1)N AB63590 [0,1,0,1,0,0|1,0,0]=3 369 B9R1.1 CCc1ccc(cn1)O MB03842 [0,1,0,1,0,0|1,0,0]=3 370 B9R1.1 CCc1ccc(nc1)Br MB10294 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.1 CCc1cnc(cn1)Br AB64001 [0,1,0,1,0,0|2,0,0]=4 372 B9R1.1 CCc1cnc(cn1)Cl AB73111 [0,1,0,1,0,0|2,0,0]=4 373 B9R1.1 CCc1cnc(cn1)N AB60527 [0,1,0,1,0,0|2,0,0]=4 374 B9R1.1 CCc1ncc(cn1)N PB12017 [0,1,0,1,0,0|2,0,0]=4 375 B9R1.1 CNc1ccc(cn1)Br AB44353 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.1 CNc1ccc(cn1)Cl AB07756 [0,1,0,1,0,0|2,0,0]=4 377 B9R1.1 CNc1ccc(cn1)O AB69733 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.1 COc1ccc(cn1)Br AB08771 [0,1,0,1,0,0|2,0,0]=4 379 B9R1.1 COc1ccc(cn1)Cl AB23682 [0,1,0,1,0,0|2,0,0]=4 380 B9R1.1 COc1ccc(cn1)F AB13611 [0,1,0,1,0,0|2,0,0]=4 381 B9R1.1 COc1ccc(cn1)N PB27370 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.1 COc1ccc(cn1)O CB10969 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.1 CSc1ccc(cn1)Br AB14151 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.1 CSc1ccc(cn1)O MB25590 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.1 Cc1ccc(cn1)C=O PB17503 [0,1,0,1,0,0|1,0,1]=4 386 B9R1.1 Cc1ccc(nc1)C=O AB31466 [0,1,0,1,0,0|1,0,1]=4 387 B9R1.1 Cc1ccc(nc1)CCl AB59994 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.1 Cc1ccc(nc1)CN AB48926 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.1 Cc1ccc(nn1)C=O AB44106 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.1 c1cc(ccc1CBr)Br AB00113 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.1 c1cc(ccc1CBr)Cl AB01810 [0,1,0,1,0,0|2,0,0]=4 392 B9R1.1 c1cc(ccc1CI)O MB06957 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.1 c1cc(ccc1CN)O AB11678 [0,1,0,1,0,0|2,0,0]=4 394 B9R1.1 c1cc(ncc1Br)C=O PB30785 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.1 c1cc(ncc1Br)CCl AB60010 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.1 c1cc(ncc1Br)CN AB23456 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.1 c1cc(ncc1Br)CO AB66533 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.1 c1cc(ncc1Br)CO PB18645 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.1 c1cc(ncc1C=O)Br PB27654 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.1 c1cc(ncc1C=O)Cl PB18586 [0,1,0,1,0,0|1,0,1]=4 401 B9R1.1 c1cc(ncc1C=O)F PB23560 [0,1,0,1,0,0|1,0,1]=4 402 B9R1.1 c1cc(ncc1C=O)N PB19003 [0,1,0,1,0,0|1,0,1]=4 403 B9R1.1 c1cc(ncc1Cl)C=O AB44880 [0,1,0,1,0,0|1,0,1]=4 404 B9R1.1 c1cc(ncc1Cl)CCl PB17759 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.1 c1cc(ncc1Cl)CN AB60187 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.1 c1cc(ncc1Cl)CO AB56068 [0,1,0,1,0,0|2,0,0]=4 407 B9R1.1 c1cc(ncc1F)C=O AB42648 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.1 c1cc(ncc1F)CCl AB62501 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.1 c1cc(ncc1F)CN AB60189 [0,1,0,1,0,0|2,0,0]=4 410 B9R1.1 c1cc(ncc1F)CO PB22210 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.1 c1cc(ncc1N)C=O AB67740 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.1 c1cc(ncc1N)CN AB23447 [0,1,0,1,0,0|2,0,0]=4 413 B9R1.1 c1cc(ncc1N)CO AB31872 [0,1,0,1,0,0|2,0,0]=4 414 B9R1.1 c1cc(ncc1O)C=O AB59867 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.1 c1cc(ncc1O)CN MB14856 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.1 c1cc(nnc1C=O)Cl PB13298 [0,1,0,1,0,0|2,0,0]=4 417 B9R1.3 Cc1c(cccc1Br)O MB09253 [0,1,0,1,0,0|0,0,2]=4 418 B9R1.3 Cc1c(cccc1I)O MB23347 [0,1,0,1,0,0|0,0,2]=4 419 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,1,0,1,0,0|1,0,1]=4 420 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,1,0,1,0,0|1,0,1]=4 421 B9R1.3 Cc1cccc(c1F)N AB25121 [0,1,0,1,0,0|1,0,1]=4 422 B9R1.3 Cc1cccc(c1I)O MB23494 [0,1,0,1,0,0|1,0,1]=4 423 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,1,0,1,0,0|1,0,1]=4 424 B9R1.3 Cc1cccc(c1N)F MB03934 [0,1,0,1,0,0|1,0,1]=4 425 B9R1.3 Cc1cccc(c1O)F MB11516 [0,1,0,1,0,0|0,0,2]=4 426 B9R1.3 Cc1cccc(c1O)I MB23471 [0,1,0,1,0,0|0,0,2]=4 427 B9R1.3 Cc1cccc(c1O)N MB02950 [0,1,0,1,0,0|0,0,2]=4 428 B9R1.3 Cn1c(=O)cccc1Br MB01001 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.3 Cn1c(ccnc1=O)Cl MB19859 [0,1,0,1,0,0|2,0,0]=4 430 B9R1.3 Cn1ccc[n+](c1=O)C AB09988 [0,1,0,1,0,0|2,0,0]=4 431 B9R1.3 Cn1cccc(c1=O)Br PB32951 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.3 Cn1cccc(c1=O)N PB15071 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,1,0,1,0,0|1,0,1]=4 435 B9R1.11 c1cc(sc1)C(=O)C=O AB48645 [0,1,0,1,0,0|1,0,1]=4 436 B9R1.21 CCC1=NN=C(C1)C=O AB60562 [0,1,0,1,0,0|2,0,0]=4 437 B9R1.21 CCc1[nH]c(cn1)C=O AB08501 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.21 CCc1[nH]c(nn1)C=O AB57357 [0,1,0,1,0,0|2,0,0]=4 439 B9R1.21 CCc1nc(on1)C=O AB57239 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.21 CCc1nnc(o1)C=O AB57527 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.21 COc1[nH]cc(n1)C=O AB57915 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.21 COc1ncc(s1)C=O AB50989 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.21 CSc1[nH]c(cn1)C=O AB56996 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.21 c1c(nc(o1)C=O)CCl AB71576 [0,1,0,1,0,0|2,0,0]=4 445 B9R1.21 c1cc(oc1C=O)C#N AB44041 [0,1,0,1,0,0|1,0,1]=4 446 B9R1.132 Cc1cnc(n1C)C=O AB62623 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.132 Cn1c(cnc1Br)C=O AB56934 [0,1,0,1,0,0|2,0,0]=4 448 B9R1.132 Cn1c(cnc1Cl)C=O AB56928 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.6 C1C[C@@H](CC=C1)C(=O)O PB18863 [0,1,0,1,0,0|0,0,2]=4 450 B9R1.6 C1C[C@H](CC=C1)C(=O)O PB29511 [0,1,0,1,0,0|0,0,2]=4 451 B9R1.6 CC(=O)c1ccccn1 AB00686 [0,1,0,1,0,0|1,0,1]=4 452 B9R1.6 CC(=O)c1cccnc1 AB00750 [0,1,0,1,0,0|1,0,1]=4 453 B9R1.6 CC(=O)c1cccnn1 PB16551 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.6 CC(C)c1ccccn1 PB21659 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.6 CC(c1ccccc1)Cl AB01249 [0,1,0,1,0,0|1,0,0]=3 456 B9R1.6 CC(c1ccccn1)N AB21604 [0,1,0,1,0,0|1,0,0]=3 457 B9R1.6 CC(c1cccnc1)N AB09764 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.6 CC(c1ccncc1)N AB11609 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.6 CC(c1ccncn1)N PB34498 [0,1,0,1,0,0|2,0,0]=4 460 B9R1.6 CC(c1cnccn1)N PB14922 [0,1,0,1,0,0|2,0,0]=4 461 B9R1.6 CC(c1ncccn1)N AB59468 [0,1,0,1,0,0|2,0,0]=4 462 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.6 C[C@@H](c1ccncc1)N AB49749 [0,1,0,1,0,0|2,0,0]=4 464 B9R1.6 C[C@H](c1cccnc1)N AB49734 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.6 C[C@H](c1ccncc1)N AB49745 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [0,1,0,1,0,0|1,0,1]=4 468 B9R1.6 c1ccnc(c1)C(F)F AB64042 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.41 CC(=O)C1=NC=CC1N AB66021 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.41 CC(=O)c1nccn1C PB12530 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.41 Cc1ccsc1C(=O)O AB00421 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.41 Cn1cccc1C(=O)O CB10008 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.41 Cn1ccnc1C(=O)O PB21787 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.41 Cn1cncc1C(=O)O PB24704 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.41 c1cc(n(c1)N)C(=O)N PB26616 [0,1,0,1,0,0|2,0,0]=4