0 B9R1.11 CNC(=O)C1=CN=NC1 MB11645 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.11 COC(=O)C1=CN=CC1 AB07842 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.11 COC(=O)C1=CN=NC1 AB44633 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.11 COC(=O)C1=CN=NC1 PB24659 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.11 COC(=O)C1=NC=NC1 PB18686 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.11 COC(=O)C1=NN=CC1 PB10159 [0,0,0,0,0,0|2,0,1]=3 6 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.11 COC(=O)c1cncs1 AB16044 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.11 COC(=O)c1cnoc1 AB39248 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.11 COC(=O)c1cscn1 AB25133 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.11 COC(=O)c1ncco1 AB42108 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.11 c1c(nco1)C(=O)NN AB28148 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.11 c1c(ncs1)C(=O)NN AB06544 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.11 c1c(ocn1)C(=O)NN AB19294 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.11 c1c(scn1)C(=O)NN AB28338 [0,0,0,0,0,0|3,1,0]=4 16 B9R1.11 c1cc(oc1)C(=O)C=O AB04785 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.11 c1cc(oc1)C(=O)C=O AB49990 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.11 c1cc(sc1)C(=O)C=O AB48645 [0,0,0,0,0,0|2,1,0]=3 19 B9R1.11 c1cc(sc1)C(=O)O[Cu] AB11500 [0,0,0,0,0,0|1,1,0]=2 20 B9R1.11 c1coc(n1)C(=O)NN AB19281 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.11 c1cocc1C(=O)NN MB02283 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.11 c1conc1C(=O)NN AB28024 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.11 c1csc(n1)C(=O)NN AB09732 [0,0,0,0,0,0|3,1,0]=4 24 B9R1.11 c1cscc1C(=O)NN MB01758 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.7 B(c1ccc[se]1)(O)O AB08878 [1,0,0,0,0,0|1,1,1]=4 26 B8R1.7 B(c1ccco1)(O)O AB07247 [1,0,0,0,0,0|1,0,1]=3 27 B8R1.7 B(c1cccs1)(O)O AB04002 [1,0,0,0,0,0|1,1,1]=4 28 B8R1.7 C1=NC=NC1C(=O)O AB03082 [1,0,0,0,0,0|2,0,1]=4 29 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 C1C=C(N=N1)C(=O)O AB06191 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 C1C=C(N=N1)C(=O)O PB17100 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.7 C1C=CCC1C(=O)O PB14124 [1,0,0,0,0,0|1,0,2]=4 33 B8R1.7 C1COC=C1C(=O)O PB26262 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 CC(=O)c1cocn1 AB73503 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.7 CC(=O)c1ncco1 AB42105 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.7 CC(c1ccno1)N AB27932 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.7 c1[nH]c(nn1)C(=O)O AB04453 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 c1[nH]nc(n1)C(=O)O AB02998 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 c1c(con1)C(=O)O AB27926 [1,0,0,0,0,0|3,0,0]=4 42 B8R1.7 c1c(csn1)C(=O)O AB48586 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 c1c(nco1)C(=O)O PB14470 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.7 c1c(ncs1)C(=O)N AB06564 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 c1c(ncs1)C(=O)O AB06561 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 c1c(non1)C(=O)O AB06534 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 c1c(nsn1)C(=O)O AB09086 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 c1c(ocn1)C(=O)N AB19298 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.7 c1c(ocn1)C(=O)O AB19293 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.7 c1c(ocn1)C(=S)N AB19301 [1,0,0,0,0,0|2,1,0]=4 52 B8R1.7 c1c(scn1)C(=O)O AB15430 [1,0,0,0,0,0|1,1,0]=3 53 B8R1.7 c1cc(oc1)C(=N)N AB07706 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 c1cnsc1C(=O)O AB32452 [1,0,0,0,0,0|1,1,0]=3 55 B8R1.7 c1coc(n1)C(=O)N AB19289 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.7 c1coc(n1)C(=O)O AB19305 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.7 c1coc(n1)C(=S)N AB19285 [1,0,0,0,0,0|2,1,0]=4 58 B8R1.7 c1cocc1C(=O)O PB30525 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.7 c1conc1C(=O)O PB26232 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 c1csc(n1)C(=O)O AB10888 [1,0,0,0,0,0|1,1,0]=3 61 B8R1.7 c1cscc1C(=O)O PB18386 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 c1csnc1C(=O)O PB34433 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.7 c1nnc(o1)C(=O)O AB57583 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.8 CNCc1cccs1 AB13997 [1,0,0,0,0,0|1,1,1]=4 65 B8R1.8 CNCc1ccno1 AB27949 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.8 COCc1[nH]ccn1 PB20902 [1,0,0,0,0,0|2,0,1]=4 67 B8R1.8 c1cc(oc1)N=C=O AB53758 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.11 CCOC(=O)C1=CN=NC1 PB25908 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.11 CCOC(=O)C1=NC=NC1 AB11920 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.11 CCOC(=O)C1=NN=CC1 AB06196 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.11 CCOC(=O)C1=NN=CC1 PB27452 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.11 CCOC(=O)C1CC=CC1 AB24924 [0,1,0,0,0,0|1,0,2]=4 73 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [0,1,0,0,0,0|2,0,0]=3 74 B10R1.11 CCOC(=O)c1ccon1 PB14547 [0,1,0,0,0,0|2,0,0]=3 75 B10R1.11 CCOC(=O)c1cnco1 AB19292 [0,1,0,0,0,0|1,0,0]=2 76 B10R1.11 CCOC(=O)c1cncs1 PB17345 [0,1,0,0,0,0|1,1,0]=3 77 B10R1.11 CCOC(=O)c1cnoc1 PB30887 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.11 CCOC(=O)c1cocn1 PB21846 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.11 CCOC(=O)c1cscn1 AB16049 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.11 CCOC(=O)c1ncco1 AB19317 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.11 CCOC(=O)c1nccs1 AB23232 [0,1,0,0,0,0|1,1,0]=3 82 B10R1.11 CCOC(=O)c1ncns1 AB77003 [0,1,0,0,0,0|2,1,0]=4 83 B10R1.11 CCOC(=O)c1nnco1 AB58071 [0,1,0,0,0,0|2,0,0]=3 84 B10R1.11 c1cc(sc1)C(=O)CC#N PB12059 [0,1,0,0,0,0|1,1,1]=4 85 B10R1.11 c1cc(sc1)C(=O)CCCl AB24965 [0,1,0,0,0,0|1,1,0]=3 86 B10R1.14 CC1=NC(=NC1)C(=O)OC AB53499 [0,1,0,0,0,0|2,0,1]=4 87 B10R1.14 CNC(=O)c1nc(cs1)Br AB66075 [0,1,0,0,0,0|2,1,0]=4 88 B10R1.14 COC(=O)C1=NC(=CC1)Br MB07693 [0,1,0,0,0,0|1,0,1]=3 89 B10R1.14 COC(=O)C1=NC(=NC1)Br AB75843 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.14 COC(=O)C1=NC=C(C1)Br PB29127 [0,1,0,0,0,0|1,0,1]=3 91 B10R1.14 COC(=O)C1=NN=C(C1)N AB43460 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.14 COC(=O)c1[nH]c(nn1)Br MB13542 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.14 COC(=O)c1[nH]c(nn1)Cl MB15035 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.14 COC(=O)c1cc(cs1)Br PB18709 [0,1,0,0,0,0|0,1,0]=2 95 B10R1.14 COC(=O)c1cc(cs1)Cl PB24460 [0,1,0,0,0,0|0,1,0]=2 96 B10R1.14 COC(=O)c1cc(sc1)Br PB21329 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.14 COC(=O)c1cc(sc1)Cl PB30437 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.14 COC(=O)c1ccc(s1)Br PB24794 [0,1,0,0,0,0|0,1,0]=2 99 B10R1.14 COC(=O)c1ccc(s1)Cl MB03690 [0,1,0,0,0,0|0,1,0]=2 100 B10R1.14 COC(=O)c1cnc(s1)Br AB16048 [0,1,0,0,0,0|1,1,0]=3 101 B10R1.14 COC(=O)c1cnc(s1)N AB16042 [0,1,0,0,0,0|1,1,0]=3 102 B10R1.14 COC(=O)c1csc(n1)Br AB26606 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.14 COC(=O)c1csc(n1)Cl AB26609 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.14 COC(=O)c1csc(n1)N AB06554 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.14 COC(=O)c1nc(cs1)Br MB09382 [0,1,0,0,0,0|1,1,0]=3 106 B10R1.14 COC(=O)c1ncc(s1)Br MB14341 [0,1,0,0,0,0|1,1,0]=3 107 B10R1.14 COC(=O)c1ncc(s1)N PB39132 [0,1,0,0,0,0|1,1,0]=3 108 B10R1.14 Cc1[nH]c(nn1)C(=O)OC AB53506 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,1,0,0,0,0|0,1,0]=2 110 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,1,0,0,0,0|1,1,0]=3 112 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,1,0,0,0,0|1,1,0]=3 113 B10R1.14 Cc1nc(co1)C(=O)OC AB13936 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.14 Cc1nc(no1)C(=O)OC AB44667 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.14 Cn1cnc(n1)C(=O)OC PB21294 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.14 c1cc(oc1C(=O)CBr)Br AB42923 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.14 c1cc(sc1C(=O)C=O)Br AB48670 [0,1,0,0,0,0|2,1,0]=4 119 B10R1.149 CC1=C(C=NC1)C(=O)OC AB56145 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.149 CC1=C(N=CC1)C(=O)OC PB28024 [0,1,0,0,0,0|1,0,1]=3 121 B10R1.149 CC1=NC=NC1C(=O)OC AB66528 [0,1,0,0,0,0|2,0,1]=4 122 B10R1.149 COC(=O)C1=C(N=CC1)N AB55415 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.149 COC(=O)C1=C(N=NC1)N AB12757 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.149 COC(=O)C1=NC=CC1Br PB38397 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.149 COC(=O)C1=NC=CC1Cl PB31974 [0,1,0,0,0,0|1,0,1]=3 126 B10R1.149 COC(=O)C1=NC=NC1N AB66095 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.149 COC(=O)C1=NN=CC1Br AB06264 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.149 COC(=O)C1=NN=CC1N PB23303 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.149 COC(=O)c1c(cco1)N PB25248 [0,1,0,0,0,0|0,0,0]=1 130 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [0,1,0,0,0,0|0,1,0]=2 131 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [0,1,0,0,0,0|0,1,0]=2 132 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [0,1,0,0,0,0|0,1,0]=2 133 B10R1.149 COC(=O)c1c(ncs1)N AB49408 [0,1,0,0,0,0|1,1,0]=3 134 B10R1.149 COC(=O)c1ccsc1N PB30611 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.149 Cn1cccc1C(=O)OC CB10178 [0,1,0,0,0,0|1,0,0]=2 136 B10R1.149 Cn1ccnc1C(=O)OC PB27571 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.149 Cn1cncc1C(=O)OC PB26064 [0,1,0,0,0,0|2,0,0]=3 138 B10R2.32 C1CC(=O)C2=CN=CC21 AB22250 [0,0,0,1,0,0|3,0,0]=4 139 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,0,0,0,1|2,0,0]=3 140 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,0,0,0,0,1|2,0,0]=3 141 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,0,0,0,0,1|2,0,0]=3 142 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,0,0,0,0,1|2,0,0]=3 143 B10R1.15 COC(=O)C1=CCOCC1 PB14958 [0,0,0,0,0,1|1,0,2]=4 144 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,0,0,0,0,1|1,0,0]=2 145 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,0,0,0,0,1|1,0,0]=2 146 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,0,0,0,0,1|2,0,0]=3 147 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,0,0,0,0,1|2,0,0]=3 148 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,0,0,0,0,1|1,0,0]=2 149 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,0,0,0,0,1|3,0,0]=4 150 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,0,0,0,0,1|3,0,0]=4 151 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,0,0,0,0,1|3,0,0]=4 152 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,0,0,0,0,1|3,0,0]=4 153 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,0,0,0,0,1|3,0,0]=4 154 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,0,0,0,0,1|3,0,0]=4 155 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,0,0,0,1|3,0,0]=4 156 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,0,0,0,0,1|3,0,0]=4 157 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,0,0,0,0,1|3,0,0]=4 158 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,0,0,0,0,1|3,0,0]=4 159 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,0,0,0,0,1|3,0,0]=4 160 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,0,0,0,0,1|3,0,0]=4 161 B10R1.15 c1cncnc1C(=O)NN AB28062 [0,0,0,0,0,1|3,0,0]=4 162 B10R1.27 CNC(=O)Cn1cccn1 AB70369 [0,0,0,0,0,1|3,0,0]=4 163 B10R1.27 COC(=O)CC1=NC=NC1 AB44705 [0,0,0,0,0,1|2,0,1]=4 164 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [0,0,0,0,0,1|2,0,0]=3 165 B10R1.27 COC(=O)Cn1ccnn1 AB85363 [0,0,0,0,0,1|3,0,0]=4 166 B7R0.3 COC(=O)CCC=C AB16906 [1,0,1,0,0,0|0,0,2]=4 167 B7R1.1 C1C=CN=C1C=O AB00388 [2,0,0,0,0,0|1,0,1]=4 168 B7R1.1 COc1nccs1 AB09330 [2,0,0,0,0,0|1,1,0]=4 169 B7R1.1 c1c(nco1)C=O PB23292 [2,0,0,0,0,0|2,0,0]=4 170 B7R1.1 c1c(ncs1)C=O AB06592 [2,0,0,0,0,0|2,0,0]=4 171 B7R1.1 c1c(ocn1)C=O AB11283 [2,0,0,0,0,0|1,0,0]=3 172 B7R1.1 c1c(ocn1)CO PB32681 [2,0,0,0,0,0|1,0,1]=4 173 B7R1.1 c1c(scn1)C=O AB11293 [2,0,0,0,0,0|1,1,0]=4 174 B7R1.1 c1cc(oc1)C#N AB00309 [2,0,0,0,0,0|1,0,1]=4 175 B7R1.1 c1cc(oc1)CCl MB06568 [2,0,0,0,0,0|1,0,1]=4 176 B7R1.1 c1cc(sc1)CO PB10001 [2,0,0,0,0,0|0,1,1]=4 177 B7R1.1 c1cnoc1CO AB28102 [2,0,0,0,0,0|1,0,1]=4 178 B7R1.1 c1cnsc1C=O AB32448 [2,0,0,0,0,0|1,1,0]=4 179 B7R1.1 c1coc(n1)C=O AB14413 [2,0,0,0,0,0|1,0,0]=3 180 B7R1.1 c1coc(n1)CO PB27948 [2,0,0,0,0,0|1,0,1]=4 181 B7R1.1 c1conc1C=O PB26237 [2,0,0,0,0,0|2,0,0]=4 182 B7R1.1 c1csc(n1)C=O PB12109 [2,0,0,0,0,0|1,1,0]=4 183 B7R1.1 c1cscc1C=O PB14065 [2,0,0,0,0,0|2,0,0]=4 184 B9R0.27 COC(=O)\C(=C(\C=O)/Br)\Br AB84910 [0,1,1,0,0,0|2,0,0]=4 185 B9R0.35 CCOC(=O)\C(=C\C=O)\Br AB70320 [0,1,1,0,0,0|2,0,0]=4 186 B9R1.19 CS(=O)(=O)c1cccs1 PB14102 [1,1,0,0,0,0|1,1,0]=4 187 B9R1.35 B(c1cc(co1)C)(O)O AB08042 [1,1,0,0,0,0|1,0,1]=4 188 B9R1.35 B(c1cc(co1)Cl)(O)O AB73959 [1,1,0,0,0,0|1,0,1]=4 189 B9R1.35 B(c1cc(co1)F)(O)O AB73962 [1,1,0,0,0,0|1,0,1]=4 190 B9R1.35 B(c1ccc(o1)C)(O)O AB08313 [1,1,0,0,0,0|1,0,1]=4 191 B9R1.35 C1=C(N=CC1N)C(=O)O AB43641 [1,1,0,0,0,0|1,0,1]=4 192 B9R1.35 C1=NC(=O)N=C1C(=O)O AB09197 [1,1,0,0,0,0|2,0,0]=4 193 B9R1.35 C1C=C(N=C1Br)C(=O)O MB19809 [1,1,0,0,0,0|1,0,1]=4 194 B9R1.35 C1CC(=O)C=C1C(=O)O CB11482 [1,1,0,0,0,0|1,0,1]=4 195 B9R1.35 CC(=O)C1=NC=C(C1)Cl AB52884 [1,1,0,0,0,0|1,0,1]=4 196 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [1,1,0,0,0,0|0,1,0]=3 197 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [1,1,0,0,0,0|0,0,0]=2 200 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [1,1,0,0,0,0|0,1,0]=3 201 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [1,1,0,0,0,0|0,1,0]=3 202 B9R1.35 CC(=O)c1cnc(o1)N AB54806 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.35 CC(=O)c1cnc(s1)Br AB69536 [1,1,0,0,0,0|1,1,0]=4 204 B9R1.35 CC(=O)c1cnc(s1)N AB07075 [1,1,0,0,0,0|1,1,0]=4 205 B9R1.35 CC(=O)c1coc(n1)Cl AB77007 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.35 CC(=O)c1nc(cs1)Br AB59795 [1,1,0,0,0,0|1,1,0]=4 207 B9R1.35 CC(=O)c1ncc(s1)Br PB19039 [1,1,0,0,0,0|1,1,0]=4 208 B9R1.35 CC(=O)c1ncc(s1)Cl PB35653 [1,1,0,0,0,0|1,1,0]=4 209 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.35 Cc1[nH]c(cn1)C(=O)O AB05025 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.35 Cc1cc(cs1)C(=O)O PB14265 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.35 Cc1cc(no1)C(=O)O CB10494 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [1,1,0,0,0,0|0,1,0]=3 214 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [1,1,0,0,0,0|0,1,0]=3 215 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [1,1,0,0,0,0|0,1,0]=3 216 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [1,1,0,0,0,0|1,0,0]=3 217 B9R1.35 Cc1cnc(s1)C(=O)O AB43204 [1,1,0,0,0,0|1,1,0]=4 218 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [1,1,0,0,0,0|1,0,0]=3 219 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [1,1,0,0,0,0|1,1,0]=4 220 B9R1.35 Cc1csc(n1)C(=O)O PB26270 [1,1,0,0,0,0|1,1,0]=4 221 B9R1.35 Cc1nc(co1)C(=O)O AB05124 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.35 Cc1nc(cs1)C(=O)O AB14027 [1,1,0,0,0,0|2,0,0]=4 223 B9R1.35 Cc1nc(on1)C(=O)O AB55970 [1,1,0,0,0,0|2,0,0]=4 224 B9R1.35 Cc1ncc(s1)C(=O)O PB12949 [1,1,0,0,0,0|1,1,0]=4 225 B9R1.35 Cn1cc(nc1)C(=O)O PB21172 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.35 Cn1ccc(n1)C(=O)O PB29090 [1,1,0,0,0,0|2,0,0]=4 227 B9R1.35 c1c(coc1Br)C(=O)O AB45895 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [1,1,0,0,0,0|1,0,0]=3 229 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [1,1,0,0,0,0|0,0,0]=2 230 B9R1.35 c1c(csc1Br)C(=O)O PB20302 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.35 c1c(csc1C(=O)N)Br AB53759 [1,1,0,0,0,0|1,1,0]=4 232 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [1,1,0,0,0,0|0,1,0]=3 233 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [1,1,0,0,0,0|0,1,0]=3 234 B9R1.35 c1c(csc1Cl)C(=O)O PB17106 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.35 c1c(csc1F)C(=O)O PB18609 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.35 c1c(nc(o1)Br)C(=O)O PB14959 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.35 c1c(nc(o1)C(=O)O)Br AB59761 [1,1,0,0,0,0|1,0,0]=3 238 B9R1.35 c1c(nc(o1)Cl)C(=O)O PB20528 [1,1,0,0,0,0|2,0,0]=4 239 B9R1.35 c1c(nc(o1)N)C(=O)O PB31410 [1,1,0,0,0,0|2,0,0]=4 240 B9R1.35 c1c(nc(s1)Br)C(=O)O AB20482 [1,1,0,0,0,0|2,0,0]=4 241 B9R1.35 c1c(nc(s1)C(=O)O)Br PB32743 [1,1,0,0,0,0|1,1,0]=4 242 B9R1.35 c1c(nc(s1)Cl)C(=O)O CB11341 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.35 c1c(nc(s1)N)C(=O)O AB07466 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.35 c1c(onc1Br)C(=O)O AB32047 [1,1,0,0,0,0|1,0,0]=3 245 B9R1.35 c1c(sc(n1)Br)C(=O)O PB12322 [1,1,0,0,0,0|1,1,0]=4 246 B9R1.35 c1c(sc(n1)C(=O)O)Br PB31583 [1,1,0,0,0,0|1,1,0]=4 247 B9R1.35 c1c(sc(n1)C(=O)O)Cl PB26550 [1,1,0,0,0,0|1,1,0]=4 248 B9R1.35 c1c(sc(n1)C(=O)O)N PB33442 [1,1,0,0,0,0|1,1,0]=4 249 B9R1.35 c1c(sc(n1)C(=O)O)N PB37974 [1,1,0,0,0,0|1,1,0]=4 250 B9R1.35 c1c(sc(n1)N)C(=O)O AB23200 [1,1,0,0,0,0|1,1,0]=4 251 B9R1.35 c1cc(sc1C(=O)Cl)Cl AB01959 [1,1,0,0,0,0|1,1,0]=4 252 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [1,1,0,0,0,0|0,1,0]=3 253 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [1,1,0,0,0,0|0,1,0]=3 254 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [1,1,0,0,0,0|0,1,0]=3 255 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [1,1,0,0,0,0|0,1,0]=3 256 B9R1.41 B(c1c(cco1)F)(O)O AB73970 [1,1,0,0,0,0|1,0,1]=4 257 B9R1.41 C1C=C(C(=N1)C(=O)O)N AB14781 [1,1,0,0,0,0|1,0,1]=4 258 B9R1.41 CC(=O)C1=NC=CC1N AB66021 [1,1,0,0,0,0|1,0,1]=4 259 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [1,1,0,0,0,0|0,1,0]=3 260 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [1,1,0,0,0,0|0,1,0]=3 261 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [1,1,0,0,0,0|2,0,0]=4 262 B9R1.41 CC(=O)c1ccsc1N AB71423 [1,1,0,0,0,0|2,0,0]=4 263 B9R1.41 CC(=O)c1nccn1C PB12530 [1,1,0,0,0,0|2,0,0]=4 264 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [1,1,0,0,0,0|2,0,0]=4 265 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [1,1,0,0,0,0|2,0,0]=4 266 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [1,1,0,0,0,0|1,0,0]=3 267 B9R1.41 Cc1ccoc1C(=O)O AB01137 [1,1,0,0,0,0|0,0,0]=2 268 B9R1.41 Cc1ccsc1C(=O)O AB00421 [1,1,0,0,0,0|0,1,0]=3 269 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.41 Cn1cccc1C(=O)O CB10008 [1,1,0,0,0,0|1,0,0]=3 271 B9R1.41 Cn1ccnc1C(=O)O PB21787 [1,1,0,0,0,0|2,0,0]=4 272 B9R1.41 Cn1cncc1C(=O)O PB24704 [1,1,0,0,0,0|2,0,0]=4 273 B9R1.41 c1[nH]c(c(n1)C(=O)O)N AB54857 [1,1,0,0,0,0|2,0,0]=4 274 B9R1.41 c1c(c(cs1)Br)C(=O)O PB14213 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.41 c1cc(n(c1)N)C(=O)N PB26616 [1,1,0,0,0,0|2,0,0]=4 276 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [1,1,0,0,0,0|0,0,0]=2 277 B9R1.41 c1coc(c1I)C(=O)O AB85068 [1,1,0,0,0,0|0,0,0]=2 278 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [1,1,0,0,0,0|0,1,0]=3 279 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [1,1,0,0,0,0|0,1,0]=3 280 B9R1.41 c1csc(c1N)C(=O)N AB02202 [1,1,0,0,0,0|1,1,0]=4 281 B9R1.41 c1csc(c1N)C(=O)O AB14784 [1,1,0,0,0,0|0,1,0]=3 282 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,1,0,0,0,1|1,0,0]=3 283 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [0,1,0,0,0,1|1,0,0]=3 284 B11R1.16 CCOC(=O)c1cncnn1 AB72449 [0,1,0,0,0,1|2,0,0]=4 285 B11R1.16 CCOC(=O)c1cnncn1 AB66560 [0,1,0,0,0,1|2,0,0]=4 286 B11R1.16 CCOC(=O)c1nccnn1 AB56211 [0,1,0,0,0,1|2,0,0]=4 287 B11R1.16 CCOC(=O)c1ncncn1 AB66563 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,1,0,0,0,1|1,0,0]=3 290 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,0,1|2,0,0]=4 292 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [0,1,0,0,0,1|2,0,0]=4 294 B11R1.22 CNC(=O)c1ccc(nn1)Cl MB11670 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.22 CNC(=O)c1cnc(cn1)Br MB14257 [0,1,0,0,0,1|2,0,0]=4 296 B11R1.22 COC(=N)c1ccc(cc1)F AB60956 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.22 COC(=N)c1ccc(cc1)N AB60980 [0,1,0,0,0,1|2,0,0]=4 298 B11R1.22 COC(=N)c1ccc(cc1)O AB01949 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,1,0,0,0,1|1,0,0]=3 300 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,1,0,0,0,1|1,0,0]=3 301 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,1,0,0,0,1|1,0,0]=3 302 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,1,0,0,0,1|1,0,0]=3 303 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,1,0,0,0,1|1,0,0]=3 304 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,1,0,0,0,1|1,0,0]=3 305 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,1,0,0,0,1|1,0,0]=3 306 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,1,0,0,0,1|1,0,0]=3 307 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,1,0,0,0,1|1,0,0]=3 308 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,1,0,0,0,1|1,0,0]=3 309 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,1,0,0,0,1|1,0,0]=3 310 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,1,0,0,0,1|1,0,0]=3 311 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,1,0,0,0,1|1,0,0]=3 312 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,1,0,0,0,1|1,0,0]=3 313 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,1,0,0,0,1|1,0,0]=3 314 B11R1.22 COC(=O)c1cnc(nc1)Br MB14326 [0,1,0,0,0,1|2,0,0]=4 315 B11R1.22 COC(=O)c1cnc(nc1)Cl PB17570 [0,1,0,0,0,1|2,0,0]=4 316 B11R1.22 COC(=O)c1cnc(nc1)N PB27896 [0,1,0,0,0,1|2,0,0]=4 317 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [0,1,0,0,0,1|1,0,0]=3 318 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [0,1,0,0,0,1|1,0,0]=3 320 B11R1.22 COS(=O)c1ccc(cc1)Cl AB45287 [0,1,0,0,0,1|2,0,0]=4 321 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,1,0,0,0,1|1,0,0]=3 322 B11R1.22 Cc1ncc(cn1)C(=O)OC PB10888 [0,1,0,0,0,1|2,0,0]=4 323 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,1,0,0,0,1|2,0,0]=4 324 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,1,0,0,0,1|2,0,0]=4 325 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,1,0,0,0,1|2,0,0]=4 326 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,1,0,0,0,1|2,0,0]=4 327 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [0,1,0,0,0,1|2,0,0]=4 328 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [0,1,0,0,0,1|2,0,0]=4 329 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,1,0,0,0,1|2,0,0]=4 330 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,1,0,0,0,1|2,0,0]=4 331 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [0,1,0,0,0,1|2,0,0]=4 332 B11R1.23 CNC(=O)c1cncc(n1)Br MB14297 [0,1,0,0,0,1|2,0,0]=4 333 B11R1.23 COC(=N)c1cccc(c1)Br AB60887 [0,1,0,0,0,1|2,0,0]=4 334 B11R1.23 COC(=N)c1cccc(c1)Cl AB60959 [0,1,0,0,0,1|2,0,0]=4 335 B11R1.23 COC(=N)c1cccc(c1)N AB60976 [0,1,0,0,0,1|2,0,0]=4 336 B11R1.23 COC(=N)c1cccc(c1)O AB60982 [0,1,0,0,0,1|2,0,0]=4 337 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,1,0,0,0,1|1,0,0]=3 338 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,1,0,0,0,1|1,0,0]=3 339 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,1,0,0,0,1|1,0,0]=3 340 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,1,0,0,0,1|1,0,0]=3 341 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,1,0,0,0,1|1,0,0]=3 342 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,1,0,0,0,1|1,0,0]=3 343 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,1,0,0,0,1|1,0,0]=3 344 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,1,0,0,0,1|1,0,0]=3 345 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,1,0,0,0,1|1,0,0]=3 346 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,1,0,0,0,1|1,0,0]=3 347 B11R1.23 COC(=O)c1cc(nnc1)Cl PB31801 [0,1,0,0,0,1|2,0,0]=4 348 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,1,0,0,0,1|1,0,0]=3 349 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,0,0,0,1|1,0,0]=3 350 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [0,1,0,0,0,1|1,0,0]=3 351 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [0,1,0,0,0,1|1,0,0]=3 352 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [0,1,0,0,0,1|1,0,0]=3 353 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [0,1,0,0,0,1|1,0,0]=3 354 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [0,1,0,0,0,1|1,0,0]=3 355 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [0,1,0,0,0,1|1,0,0]=3 356 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [0,1,0,0,0,1|1,0,0]=3 357 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [0,1,0,0,0,1|1,0,0]=3 358 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [0,1,0,0,0,1|1,0,0]=3 359 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [0,1,0,0,0,1|1,0,0]=3 360 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,1,0,0,0,1|1,0,0]=3 361 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,1,0,0,0,1|1,0,0]=3 362 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [0,1,0,0,0,1|1,0,0]=3 363 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,1,0,0,0,1|1,0,0]=3 364 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,1,0,0,0,1|1,0,0]=3 365 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,1,0,0,0,1|1,0,0]=3 366 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [0,1,0,0,0,1|2,0,0]=4 367 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,1|2,0,0]=4 368 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,1,0,0,0,1|2,0,0]=4 369 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,0,1|2,0,0]=4 370 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,1,0,0,0,1|2,0,0]=4 371 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,1,0,0,0,1|2,0,0]=4 372 B11R1.222 COC(=N)c1ccccc1Cl AB60968 [0,1,0,0,0,1|2,0,0]=4 373 B11R1.222 COC(=N)c1ccccc1F AB60966 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.222 COC(=N)c1ccccc1O AB60984 [0,1,0,0,0,1|2,0,0]=4 375 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,1,0,0,0,1|1,0,0]=3 376 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,1,0,0,0,1|1,0,0]=3 377 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,1,0,0,0,1|1,0,0]=3 378 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,1,0,0,0,1|1,0,0]=3 379 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,1,0,0,0,1|1,0,0]=3 380 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,1,0,0,0,1|1,0,0]=3 381 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,1,0,0,0,1|1,0,0]=3 382 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,1,0,0,0,1|1,0,0]=3 383 B11R1.222 COC(=O)c1ccncc1Br PB14358 [0,1,0,0,0,1|1,0,0]=3 384 B11R1.222 COC(=O)c1ccncc1I PB10250 [0,1,0,0,0,1|1,0,0]=3 385 B11R1.222 COC(=O)c1ccncc1N PB21166 [0,1,0,0,0,1|1,0,0]=3 386 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.222 COC(=O)c1cnccc1F AB70564 [0,1,0,0,0,1|1,0,0]=3 388 B11R1.222 COC(=O)c1cnccc1N PB32232 [0,1,0,0,0,1|1,0,0]=3 389 B11R1.222 COC(=O)c1cncnc1N AB70459 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,1,0,0,0,1|1,0,0]=3 391 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,0,0,0,1|1,0,0]=3 392 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,1,0,0,0,1|1,0,0]=3 393 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [0,1,0,0,0,1|1,0,0]=3 394 B11R1.222 Cc1cnncc1C(=O)OC PB35502 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.30 CCOC(=O)CC1=NC=CC1 PB18028 [0,1,0,0,0,1|1,0,1]=4 396 B11R1.30 CCOC(=O)Cc1ncco1 AB62459 [0,1,0,0,0,1|1,0,0]=3 397 B11R1.30 CCOC(=O)Cc1nnco1 AB58072 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.31 CN(C(=O)c1ccco1)OC AB30437 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.31 COC(=O)C(c1ccsc1)N AB20168 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.39 COC(=O)Cc1cnc(o1)N AB61458 [0,1,0,0,0,1|1,0,0]=3 401 B11R1.39 COC(=O)Cc1cnc(s1)N PB16816 [0,1,0,0,0,1|1,1,0]=4 402 B11R1.39 COC(=O)Cc1cnc(s1)N PB32379 [0,1,0,0,0,1|1,1,0]=4 403 B11R1.39 COC(=O)Cc1nc(cs1)Cl PB38828 [0,1,0,0,0,1|1,1,0]=4 404 B11R1.39 COC(=O)Cc1ncc(s1)Cl PB38784 [0,1,0,0,0,1|1,1,0]=4 405 B11R1.15 CCOC(=O)C1=NC(=CC1)Br MB19810 [0,2,0,0,0,0|1,0,1]=4 406 B11R1.15 CCOC(=O)C1=NC(=CC1)C PB30674 [0,2,0,0,0,0|1,0,1]=4 407 B11R1.15 CCOC(=O)C1=NC(=O)N=C1 AB60597 [0,2,0,0,0,0|2,0,0]=4 408 B11R1.15 CCOC(=O)C1=NC=C(C1)Br AB23243 [0,2,0,0,0,0|1,0,1]=4 409 B11R1.15 CCOC(=O)C1=NC=C(C1)F AB68755 [0,2,0,0,0,0|1,0,1]=4 410 B11R1.15 CCOC(=O)C1=NC=C(C1)N MB07081 [0,2,0,0,0,0|1,0,1]=4 411 B11R1.15 CCOC(=O)c1[nH]c(cn1)C AB53501 [0,2,0,0,0,0|2,0,0]=4 412 B11R1.15 CCOC(=O)c1[nH]cc(n1)Br AB53720 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.15 CCOC(=O)c1[nH]cc(n1)N AB50321 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.15 CCOC(=O)c1[nH]cc(n1)N AB59759 [0,2,0,0,0,0|2,0,0]=4 415 B11R1.15 CCOC(=O)c1cc(cs1)Br AB23220 [0,2,0,0,0,0|0,1,0]=3 416 B11R1.15 CCOC(=O)c1cc(no1)C CB11550 [0,2,0,0,0,0|1,0,0]=3 417 B11R1.15 CCOC(=O)c1cc(on1)C CB10213 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.15 CCOC(=O)c1ccc(o1)Br AB03314 [0,2,0,0,0,0|0,0,0]=2 419 B11R1.15 CCOC(=O)c1ccc(s1)Br AB12313 [0,2,0,0,0,0|0,1,0]=3 420 B11R1.15 CCOC(=O)c1cn(cn1)C PB29816 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.15 CCOC(=O)c1cnc(o1)Br AB51143 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.15 CCOC(=O)c1cnc(o1)C MB09197 [0,2,0,0,0,0|1,0,0]=3 423 B11R1.15 CCOC(=O)c1cnc(o1)Cl AB50633 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.15 CCOC(=O)c1cnc(o1)N AB25588 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.15 CCOC(=O)c1cnc(s1)Br PB30639 [0,2,0,0,0,0|1,1,0]=4 426 B11R1.15 CCOC(=O)c1cnc(s1)C PB30777 [0,2,0,0,0,0|1,1,0]=4 427 B11R1.15 CCOC(=O)c1cnc(s1)Cl AB48458 [0,2,0,0,0,0|1,1,0]=4 428 B11R1.15 CCOC(=O)c1cnc(s1)N MB09023 [0,2,0,0,0,0|1,1,0]=4 429 B11R1.15 CCOC(=O)c1cnc(s1)N PB24672 [0,2,0,0,0,0|1,1,0]=4 430 B11R1.15 CCOC(=O)c1coc(n1)Br PB10713 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.15 CCOC(=O)c1coc(n1)C AB31502 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.15 CCOC(=O)c1coc(n1)Cl PB17369 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.15 CCOC(=O)c1coc(n1)N PB12381 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.15 CCOC(=O)c1csc(n1)Br AB16046 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.15 CCOC(=O)c1csc(n1)N AB06547 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.15 CCOC(=O)c1nc(cs1)Br PB13326 [0,2,0,0,0,0|1,1,0]=4 437 B11R1.15 CCOC(=O)c1nc(no1)Br AB29277 [0,2,0,0,0,0|2,0,0]=4 438 B11R1.15 CCOC(=O)c1nc(no1)C AB44610 [0,2,0,0,0,0|2,0,0]=4 439 B11R1.15 CCOC(=O)c1nc(no1)Cl AB84785 [0,2,0,0,0,0|2,0,0]=4 440 B11R1.15 CCOC(=O)c1ncc(o1)C AB53497 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.15 CCOC(=O)c1ncc(s1)C AB53493 [0,2,0,0,0,0|1,1,0]=4 442 B11R1.15 CCOC(=O)c1nnc(o1)C AB48937 [0,2,0,0,0,0|2,0,0]=4 443 B11R1.15 CCOC(=O)c1nnc(o1)Cl AB69554 [0,2,0,0,0,0|2,0,0]=4 444 B11R1.15 CCOC(=O)c1nnc(o1)N AB14575 [0,2,0,0,0,0|2,0,0]=4 445 B11R1.199 CCOC(=O)C1=C(N=CC1)N AB55414 [0,2,0,0,0,0|2,0,0]=4 446 B11R1.199 CCOC(=O)C1=NC=CC1C PB29131 [0,2,0,0,0,0|1,0,1]=4 447 B11R1.199 CCOC(=O)C1=NC=CC1F PB32900 [0,2,0,0,0,0|1,0,1]=4 448 B11R1.199 CCOC(=O)C1=NC=CC1N PB10388 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.199 CCOC(=O)c1c(cco1)N AB55412 [0,2,0,0,0,0|0,0,0]=2 450 B11R1.199 CCOC(=O)c1c(ccs1)Br MB03699 [0,2,0,0,0,0|0,1,0]=3 451 B11R1.199 CCOC(=O)c1c(ccs1)N AB55410 [0,2,0,0,0,0|0,1,0]=3 452 B11R1.199 CCOC(=O)c1c(nco1)C AB02449 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.199 CCOC(=O)c1c(ocn1)C AB03428 [0,2,0,0,0,0|2,0,0]=4 454 B11R1.199 CCOC(=O)c1c(scn1)N AB52764 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.199 CCOC(=O)c1ccsc1C AB70575 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.199 CCOC(=O)c1ccsc1N AB09218 [0,2,0,0,0,0|2,0,0]=4 457 B11R1.199 CCOC(=O)c1cncn1C AB23239 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.44 COC(=O)C1=NC(=CC1)C=O AB53956 [0,2,0,0,0,0|1,0,1]=4 459 B11R1.44 COC(=O)c1cc(sc1)CN AB72617 [0,2,0,0,0,0|2,0,0]=4 460 B11R1.44 COC(=O)c1ccc(s1)CN AB30257 [0,2,0,0,0,0|0,1,0]=3 461 B11R1.44 COC(=O)c1cnc(s1)C#N PB33493 [0,2,0,0,0,0|1,1,0]=4 462 B11R1.44 COC(=O)c1cnc(s1)C=O PB36994 [0,2,0,0,0,0|1,1,0]=4 463 B11R1.44 COC(=O)c1nc(co1)CCl AB77015 [0,2,0,0,0,0|1,0,0]=3 464 B11R1.225 COC(=O)c1c(cc(s1)Br)N PB33047 [0,2,0,0,0,0|0,1,0]=3 465 B11R1.225 COC(=O)c1c(cc(s1)Cl)O MB14682 [0,2,0,0,0,0|0,1,0]=3 466 B11R1.225 COC(=O)c1c(nc(s1)Cl)N AB70261 [0,2,0,0,0,0|1,1,0]=4 467 B11R1.225 COC(=O)c1c(sc(n1)N)Br AB03802 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.225 COC(=O)c1cc(sc1Cl)Br MB19771 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.225 Cc1c(sc(n1)N)C(=O)OC AB10613 [0,2,0,0,0,0|1,1,0]=4 470 B11R1.225 Cc1cc(c(s1)C(=O)OC)N PB15649 [0,2,0,0,0,0|0,1,0]=3 471 B11R1.225 Cc1cc(c(s1)C(=O)OC)O MB02072 [0,2,0,0,0,0|0,1,0]=3 472 B11R1.225 Cn1c(cc(n1)Cl)C(=O)OC PB30502 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.225 Cn1cc(cc1C(=O)OC)Br AB44694 [0,2,0,0,0,0|1,0,0]=3 474 B11R1.225 Cn1cc(nc1C(=O)OC)Br AB69178 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.225 Cn1cc(nc1C(=O)OC)N AB44697 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.226 Cn1c(cc(n1)C(=O)OC)N AB59765 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.865 COC(=O)c1c(c(cs1)Cl)O MB14669 [0,2,0,0,0,0|0,1,0]=3 478 B11R1.865 Cn1c(cnc1Br)C(=O)OC AB11348 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.865 Cn1c(cnc1Cl)C(=O)OC AB56931 [0,2,0,0,0,0|2,0,0]=4 480 B11R1.865 Cn1c(cnc1S)C(=O)OC AB04779 [0,2,0,0,0,0|2,0,0]=4 481 B11R1.357 c1cc(oc1)C(=O)C(F)(F)F AB41888 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.59 COC(=O)c1c(cco1)CBr AB43018 [0,2,0,0,0,0|0,0,0]=2 483 B11R1.59 COC(=O)c1c(ccs1)C#N AB08489 [0,2,0,0,0,0|0,1,0]=3 484 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,0,1,1,0,0|2,0,0]=4 485 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,0,1,1,0,0|2,0,0]=4 486 B9R1.3 Cc1cccc(c1I)O MB23494 [0,0,1,1,0,0|2,0,0]=4 487 B9R1.3 Cn1cccc(c1=O)Br PB32951 [0,0,1,1,0,0|2,0,0]=4 488 B9R1.3 Cn1cccc(c1=O)N PB15071 [0,0,1,1,0,0|2,0,0]=4 489 B9R1.15 CCc1c(cccn1)O MB01433 [0,0,1,1,0,0|2,0,0]=4 490 B9R1.15 COc1c(cccn1)Br PB20024 [0,0,1,1,0,0|2,0,0]=4 491 B9R1.15 COc1c(cccn1)Cl AB13603 [0,0,1,1,0,0|2,0,0]=4 492 B9R1.15 COc1c(cccn1)F AB13397 [0,0,1,1,0,0|2,0,0]=4 493 B9R1.15 COc1c(cccn1)I AB13400 [0,0,1,1,0,0|2,0,0]=4 494 B9R1.15 COc1c(cccn1)N AB07386 [0,0,1,1,0,0|2,0,0]=4 495 B9R1.15 COc1c(cccn1)O AB06074 [0,0,1,1,0,0|1,0,0]=3 496 B9R1.15 COc1cccnc1O AB43293 [0,0,1,1,0,0|2,0,0]=4 497 B9R1.15 COc1ccncc1O MB09117 [0,0,1,1,0,0|2,0,0]=4 498 B9R1.15 COc1cnccc1O MB25455 [0,0,1,1,0,0|2,0,0]=4 499 B9R1.15 CSc1c(cccn1)O MB01598 [0,0,1,1,0,0|1,1,0]=4 500 B9R1.15 Cc1cccnc1OC AB31414 [0,0,1,1,0,0|2,0,0]=4 501 B9R1.2 CNc1cccc(c1)O MB25493 [0,0,1,1,0,0|2,0,0]=4 502 B9R1.2 COc1cc(ccn1)O MB11972 [0,0,1,1,0,0|2,0,0]=4 503 B9R1.2 COc1cc(cnc1)O AB29711 [0,0,1,1,0,0|2,0,0]=4 504 B9R1.2 COc1cccc(n1)Cl AB00671 [0,0,1,1,0,0|2,0,0]=4 505 B9R1.2 COc1cccc(n1)F AB55818 [0,0,1,1,0,0|2,0,0]=4 506 B9R1.2 COc1cccc(n1)I AB31101 [0,0,1,1,0,0|2,0,0]=4 507 B9R1.2 COc1cccc(n1)N AB21183 [0,0,1,1,0,0|2,0,0]=4 508 B9R1.2 COc1cccc(n1)O AB31854 [0,0,1,1,0,0|1,0,0]=3 509 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,1,0,1|1,0,0]=3 510 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,1|2,0,0]=4 511 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,1,0,1|2,0,0]=4 512 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,0,0,1,0,1|2,0,0]=4 513 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,0,0,1,0,1|2,0,0]=4 514 B11R2.2 c1cc(oc1)C2OCCO2 AB06753 [0,1,0,1,0,0|0,0,2]=4 515 B11R2.106 C1COC(=O)C2=CN=CC21 AB50248 [0,1,0,1,0,0|2,0,0]=4 516 B11R2.106 c1cc2n(c1)CCNC2=O AB52677 [0,1,0,1,0,0|2,0,0]=4 517 B11R2.106 c1csc2c1CCNC2=O MB14511 [0,1,0,1,0,0|1,1,0]=4 518 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,1|1,0,0]=3 519 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,1|1,0,0]=3 520 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,0,0,0,1|1,0,0]=3 521 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,1|1,0,0]=3 522 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,0,0,0,1|1,0,0]=3 523 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,0,0,0,1|2,0,0]=4 524 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,0,0,0,1|1,0,0]=3 525 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,0,0,0,1|2,0,0]=4 526 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,0,0,0,1|1,0,0]=3 527 B9R1.6 c1c(cncn1)C(=O)O PB23195 [1,0,0,0,0,1|2,0,0]=4 528 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [1,0,0,0,0,1|2,0,0]=4 529 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [1,0,0,0,0,1|1,0,0]=3 530 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,0,1|1,0,0]=3 531 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,0,0,0,0,1|1,0,0]=3 532 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [1,0,0,0,0,1|1,0,0]=3 533 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,0,0,0,1|1,0,0]=3 534 B9R1.6 c1cncnc1C(=O)O PB29023 [1,0,0,0,0,1|1,0,0]=3 535 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [1,0,0,0,0,1|2,0,0]=4 536 B9R1.6 c1cnncc1C(=O)O PB17054 [1,0,0,0,0,1|2,0,0]=4 537 B9R1.6 c1ncnc(n1)C(=O)O AB60791 [1,0,0,0,0,1|2,0,0]=4 538 B11R1.40 COC(=N)Cc1ccccc1 AB01554 [0,0,0,0,0,2|2,0,0]=4 539 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,0,0,0,0,2|1,0,0]=3 540 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,0,0,0,0,2|1,0,0]=3 541 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,0,0,0,0,2|1,0,0]=3 542 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,0,0,0,0,2|1,0,0]=3 543 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,0,0,0,0,2|1,0,0]=3 544 B11R1.40 COC(=O)Cc1ccnnc1 PB28638 [0,0,0,0,0,2|2,0,0]=4 545 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,0,0,0,0,2|1,0,0]=3