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|2,1,0]=3 2 B9R1.11 COC(=O)C1=CN=NC1 AB44633 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.11 COC(=O)C1=CN=NC1 PB24659 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.11 COC(=O)C1=NC=NC1 PB18686 [0,0,0,0,0,0|2,1,1]=4 5 B9R1.11 COC(=O)C1=NN=CC1 PB10159 [0,0,0,0,0,0|2,1,1]=4 6 B9R1.11 COC(=O)c1[nH]ccn1 PB18713 [0,0,0,0,0,0|2,1,0]=3 7 B9R1.11 COC(=O)c1ccsc1 PB18711 [0,0,0,0,0,0|2,1,0]=3 8 B9R1.11 COC(=O)c1cncs1 AB16044 [0,0,0,0,0,0|1,2,0]=3 9 B9R1.11 COC(=O)c1cnoc1 AB39248 [0,0,0,0,0,0|3,1,0]=4 10 B9R1.11 COC(=O)c1cscn1 AB25133 [0,0,0,0,0,0|2,1,0]=3 11 B9R1.11 COC(=O)c1ncco1 AB42108 [0,0,0,0,0,0|1,1,0]=2 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|1,2,0]=3 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(c1ccco1)(O)O AB07247 [1,0,0,0,0,0|1,1,1]=4 26 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,0,0,0|2,0,0]=3 28 B8R1.7 CC(=O)c1cocn1 AB73503 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.7 CC(=O)c1ncco1 AB42105 [1,0,0,0,0,0|1,0,0]=2 30 B8R1.7 CC(c1ccno1)N AB27932 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.7 c1c(nco1)C(=O)O PB14470 [1,0,0,0,0,0|2,1,0]=4 32 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [1,0,0,0,0,0|2,1,0]=4 33 B8R1.7 c1c(ncs1)C(=O)N AB06564 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.7 c1c(ncs1)C(=O)O AB06561 [1,0,0,0,0,0|2,1,0]=4 35 B8R1.7 c1c(ocn1)C(=O)N AB19298 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.7 c1c(ocn1)C(=O)O AB19293 [1,0,0,0,0,0|1,1,0]=3 37 B8R1.7 c1c(ocn1)C(=S)N AB19301 [1,0,0,0,0,0|2,0,1]=4 38 B8R1.7 c1c(scn1)C(=O)O AB15430 [1,0,0,0,0,0|1,2,0]=4 39 B8R1.7 c1cc(oc1)C(=N)N AB07706 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.7 c1cnsc1C(=O)O AB32452 [1,0,0,0,0,0|1,2,0]=4 41 B8R1.7 c1coc(n1)C(=O)N AB19289 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.7 c1coc(n1)C(=O)O AB19305 [1,0,0,0,0,0|1,1,0]=3 43 B8R1.7 c1coc(n1)C(=S)N AB19285 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.7 c1cocc1C(=O)O PB30525 [1,0,0,0,0,0|2,1,0]=4 45 B8R1.7 c1conc1C(=O)O PB26232 [1,0,0,0,0,0|2,1,0]=4 46 B8R1.7 c1csc(n1)C(=O)O AB10888 [1,0,0,0,0,0|1,2,0]=4 47 B8R1.7 c1cscc1C(=O)O PB18386 [1,0,0,0,0,0|2,1,0]=4 48 B8R1.7 c1csnc1C(=O)O PB34433 [1,0,0,0,0,0|2,1,0]=4 49 B8R1.7 c1nnc(o1)C(=O)O AB57583 [1,0,0,0,0,0|2,1,0]=4 50 B8R1.8 CNCc1cccs1 AB13997 [1,0,0,0,0,0|1,1,1]=4 51 B8R1.8 CNCc1ccno1 AB27949 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.8 c1cc(oc1)N=C=O AB53758 [1,0,0,0,0,0|3,0,0]=4 53 B10R1.11 CCOC(=O)c1[nH]ccn1 AB14751 [0,1,0,0,0,0|2,1,0]=4 54 B10R1.11 CCOC(=O)c1ccon1 PB14547 [0,1,0,0,0,0|2,1,0]=4 55 B10R1.11 CCOC(=O)c1cnco1 AB19292 [0,1,0,0,0,0|1,1,0]=3 56 B10R1.11 CCOC(=O)c1cncs1 PB17345 [0,1,0,0,0,0|1,2,0]=4 57 B10R1.11 CCOC(=O)c1cocn1 PB21846 [0,1,0,0,0,0|2,1,0]=4 58 B10R1.11 CCOC(=O)c1cscn1 AB16049 [0,1,0,0,0,0|2,1,0]=4 59 B10R1.11 CCOC(=O)c1ncco1 AB19317 [0,1,0,0,0,0|1,1,0]=3 60 B10R1.11 CCOC(=O)c1nccs1 AB23232 [0,1,0,0,0,0|1,2,0]=4 61 B10R1.11 CCOC(=O)c1nnco1 AB58071 [0,1,0,0,0,0|2,1,0]=4 62 B10R1.11 c1cc(sc1)C(=O)CC#N PB12059 [0,1,0,0,0,0|1,1,1]=4 63 B10R1.11 c1cc(sc1)C(=O)CCCl AB24965 [0,1,0,0,0,0|1,1,0]=3 64 B10R1.14 CNC(=O)c1nc(cs1)Br AB66075 [0,1,0,0,0,0|2,1,0]=4 65 B10R1.14 COC(=O)C1=NC(=CC1)Br MB07693 [0,1,0,0,0,0|1,1,1]=4 66 B10R1.14 COC(=O)C1=NC=C(C1)Br PB29127 [0,1,0,0,0,0|1,1,1]=4 67 B10R1.14 COC(=O)c1cc(cs1)Br PB18709 [0,1,0,0,0,0|0,2,0]=3 68 B10R1.14 COC(=O)c1cc(cs1)Cl PB24460 [0,1,0,0,0,0|0,2,0]=3 69 B10R1.14 COC(=O)c1cc(sc1)Br PB21329 [0,1,0,0,0,0|2,1,0]=4 70 B10R1.14 COC(=O)c1cc(sc1)Cl PB30437 [0,1,0,0,0,0|2,1,0]=4 71 B10R1.14 COC(=O)c1ccc(s1)Br PB24794 [0,1,0,0,0,0|0,2,0]=3 72 B10R1.14 COC(=O)c1ccc(s1)Cl MB03690 [0,1,0,0,0,0|0,2,0]=3 73 B10R1.14 COC(=O)c1cnc(s1)Br AB16048 [0,1,0,0,0,0|1,2,0]=4 74 B10R1.14 COC(=O)c1cnc(s1)N AB16042 [0,1,0,0,0,0|1,2,0]=4 75 B10R1.14 COC(=O)c1csc(n1)Br AB26606 [0,1,0,0,0,0|2,1,0]=4 76 B10R1.14 COC(=O)c1csc(n1)Cl AB26609 [0,1,0,0,0,0|2,1,0]=4 77 B10R1.14 COC(=O)c1csc(n1)N AB06554 [0,1,0,0,0,0|2,1,0]=4 78 B10R1.14 COC(=O)c1nc(cs1)Br MB09382 [0,1,0,0,0,0|1,2,0]=4 79 B10R1.14 COC(=O)c1ncc(s1)Br MB14341 [0,1,0,0,0,0|1,2,0]=4 80 B10R1.14 COC(=O)c1ncc(s1)N PB39132 [0,1,0,0,0,0|1,2,0]=4 81 B10R1.14 Cc1ccc(s1)C(=O)OC AB23205 [0,1,0,0,0,0|0,2,0]=3 82 B10R1.14 Cc1cnc(o1)C(=O)OC AB53495 [0,1,0,0,0,0|1,1,0]=3 83 B10R1.14 Cc1cnc(s1)C(=O)OC AB10517 [0,1,0,0,0,0|1,2,0]=4 84 B10R1.14 Cc1csc(n1)C(=O)OC AB44701 [0,1,0,0,0,0|1,2,0]=4 85 B10R1.14 Cc1nc(co1)C(=O)OC AB13936 [0,1,0,0,0,0|2,1,0]=4 86 B10R1.14 Cc1ncc(o1)C(=O)OC AB27653 [0,1,0,0,0,0|1,1,0]=3 87 B10R1.14 c1cc(oc1C(=O)CBr)Br AB42923 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.14 c1cc(sc1C(=O)C=O)Br AB48670 [0,1,0,0,0,0|2,1,0]=4 89 B10R1.149 CC1=C(N=CC1)C(=O)OC PB28024 [0,1,0,0,0,0|1,1,1]=4 90 B10R1.149 COC(=O)C1=C(N=CC1)N AB55415 [0,1,0,0,0,0|2,1,0]=4 91 B10R1.149 COC(=O)C1=NC=CC1Br PB38397 [0,1,0,0,0,0|1,1,1]=4 92 B10R1.149 COC(=O)C1=NC=CC1Cl PB31974 [0,1,0,0,0,0|1,1,1]=4 93 B10R1.149 COC(=O)c1c(cco1)N PB25248 [0,1,0,0,0,0|0,1,0]=2 94 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [0,1,0,0,0,0|0,2,0]=3 95 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [0,1,0,0,0,0|0,2,0]=3 96 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [0,1,0,0,0,0|0,2,0]=3 97 B10R1.149 COC(=O)c1c(ncs1)N AB49408 [0,1,0,0,0,0|1,2,0]=4 98 B10R1.149 COC(=O)c1ccsc1N PB30611 [0,1,0,0,0,0|2,1,0]=4 99 B10R1.149 Cn1cccc1C(=O)OC CB10178 [0,1,0,0,0,0|1,1,0]=3 100 B10R1.149 Cn1ccnc1C(=O)OC PB27571 [0,1,0,0,0,0|2,1,0]=4 101 B10R1.149 Cn1cncc1C(=O)OC PB26064 [0,1,0,0,0,0|2,1,0]=4 102 B10R2.32 C1CC(=O)C2=CN=CC21 AB22250 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.15 CCC(=O)c1ccccn1 AB01373 [0,0,0,0,0,1|2,0,0]=3 104 B10R1.15 CCC(=O)c1cnccn1 PB23991 [0,0,0,0,0,1|2,0,0]=3 105 B10R1.15 CNC(=O)c1cnccn1 AB70331 [0,0,0,0,0,1|2,0,0]=3 106 B10R1.15 COC(=N)c1cnccn1 AB61004 [0,0,0,0,0,1|2,1,0]=4 107 B10R1.15 COC(=O)c1cccnn1 PB28168 [0,0,0,0,0,1|1,1,0]=3 108 B10R1.15 COC(=O)c1ccncn1 PB15680 [0,0,0,0,0,1|1,1,0]=3 109 B10R1.15 COC(=O)c1ccnnc1 PB31452 [0,0,0,0,0,1|2,1,0]=4 110 B10R1.15 COC(=O)c1cncnc1 PB15822 [0,0,0,0,0,1|2,1,0]=4 111 B10R1.15 COC(=O)c1ncccn1 PB20045 [0,0,0,0,0,1|1,1,0]=3 112 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [0,0,0,0,0,1|3,0,0]=4 113 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [0,0,0,0,0,1|3,0,0]=4 114 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [0,0,0,0,0,1|3,0,0]=4 115 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [0,0,0,0,0,1|3,0,0]=4 116 B10R1.15 c1ccc(cc1)C(=O)C=O AB00817 [0,0,0,0,0,1|3,0,0]=4 117 B10R1.15 c1ccc(cc1)C(=O)C=O AB03966 [0,0,0,0,0,1|3,0,0]=4 118 B10R1.15 c1ccc(cc1)C(=O)NN AB00887 [0,0,0,0,0,1|3,0,0]=4 119 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [0,0,0,0,0,1|3,0,0]=4 121 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [0,0,0,0,0,1|3,0,0]=4 122 B10R1.15 c1cnccc1C(=O)C=O AB62328 [0,0,0,0,0,1|3,0,0]=4 123 B10R1.15 c1cnccc1C(=O)CBr AB12154 [0,0,0,0,0,1|3,0,0]=4 124 B10R1.15 c1cncnc1C(=O)NN AB28062 [0,0,0,0,0,1|3,0,0]=4 125 B10R1.27 CNC(=O)Cn1cccn1 AB70369 [0,0,0,0,0,1|3,0,0]=4 126 B10R1.27 COC(=O)Cc1ccsc1 PB15626 [0,0,0,0,0,1|2,1,0]=4 127 B7R1.1 C1C=CN=C1C=O AB00388 [2,0,0,0,0,0|1,0,1]=4 128 B7R1.1 c1c(nco1)C=O PB23292 [2,0,0,0,0,0|2,0,0]=4 129 B7R1.1 c1c(ncs1)C=O AB06592 [2,0,0,0,0,0|2,0,0]=4 130 B7R1.1 c1c(ocn1)C=O AB11283 [2,0,0,0,0,0|1,0,0]=3 131 B7R1.1 c1c(scn1)C=O AB11293 [2,0,0,0,0,0|1,1,0]=4 132 B7R1.1 c1cc(oc1)C#N AB00309 [2,0,0,0,0,0|1,0,1]=4 133 B7R1.1 c1cc(oc1)CCl MB06568 [2,0,0,0,0,0|1,0,1]=4 134 B7R1.1 c1cnsc1C=O AB32448 [2,0,0,0,0,0|1,1,0]=4 135 B7R1.1 c1coc(n1)C=O AB14413 [2,0,0,0,0,0|1,0,0]=3 136 B7R1.1 c1conc1C=O PB26237 [2,0,0,0,0,0|2,0,0]=4 137 B7R1.1 c1csc(n1)C=O PB12109 [2,0,0,0,0,0|1,1,0]=4 138 B7R1.1 c1cscc1C=O PB14065 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.19 CS(=O)(=O)c1cccs1 PB14102 [1,1,0,0,0,0|1,1,0]=4 140 B9R1.35 CC(=O)C1=NC=C(C1)Cl AB52884 [1,1,0,0,0,0|1,0,1]=4 141 B9R1.35 CC(=O)c1cc(cs1)Cl PB13009 [1,1,0,0,0,0|0,1,0]=3 142 B9R1.35 CC(=O)c1cc(sc1)Br AB71462 [1,1,0,0,0,0|2,0,0]=4 143 B9R1.35 CC(=O)c1cc(sc1)Cl PB18443 [1,1,0,0,0,0|2,0,0]=4 144 B9R1.35 CC(=O)c1ccc(o1)Br AB25597 [1,1,0,0,0,0|0,0,0]=2 145 B9R1.35 CC(=O)c1ccc(s1)Br PB24550 [1,1,0,0,0,0|0,1,0]=3 146 B9R1.35 CC(=O)c1ccc(s1)Cl PB11578 [1,1,0,0,0,0|0,1,0]=3 147 B9R1.35 CC(=O)c1cnc(o1)N AB54806 [1,1,0,0,0,0|1,0,0]=3 148 B9R1.35 CC(=O)c1cnc(s1)Br AB69536 [1,1,0,0,0,0|1,1,0]=4 149 B9R1.35 CC(=O)c1cnc(s1)N AB07075 [1,1,0,0,0,0|1,1,0]=4 150 B9R1.35 CC(=O)c1coc(n1)Cl AB77007 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.35 CC(=O)c1nc(cs1)Br AB59795 [1,1,0,0,0,0|1,1,0]=4 152 B9R1.35 CC(=O)c1ncc(s1)Br PB19039 [1,1,0,0,0,0|1,1,0]=4 153 B9R1.35 CC(=O)c1ncc(s1)Cl PB35653 [1,1,0,0,0,0|1,1,0]=4 154 B9R1.35 Cc1[nH]c(cn1)C(=O)C AB51549 [1,1,0,0,0,0|2,0,0]=4 155 B9R1.35 Cc1cc(sc1)C(=O)O PB14117 [1,1,0,0,0,0|0,2,0]=4 156 B9R1.35 Cc1ccc(s1)C(=O)C AB01148 [1,1,0,0,0,0|0,1,0]=3 157 B9R1.35 Cc1ccc(s1)C(=O)O AB00425 [1,1,0,0,0,0|0,2,0]=4 158 B9R1.35 Cc1cnc(o1)C(=O)O AB53258 [1,1,0,0,0,0|1,1,0]=4 159 B9R1.35 Cc1coc(n1)C(=O)O PB31618 [1,1,0,0,0,0|1,1,0]=4 160 B9R1.35 Cc1csc(n1)C(=O)C AB32246 [1,1,0,0,0,0|1,1,0]=4 161 B9R1.35 c1c(coc1C(=O)N)Br AB65725 [1,1,0,0,0,0|1,0,0]=3 162 B9R1.35 c1c(coc1C(=O)O)Br AB03318 [1,1,0,0,0,0|0,1,0]=3 163 B9R1.35 c1c(csc1C(=O)N)Br AB53759 [1,1,0,0,0,0|1,1,0]=4 164 B9R1.35 c1c(csc1C(=O)O)Br PB29256 [1,1,0,0,0,0|0,2,0]=4 165 B9R1.35 c1c(csc1C(=O)O)Cl PB25964 [1,1,0,0,0,0|0,2,0]=4 166 B9R1.35 c1c(nc(o1)C(=O)O)Br AB59761 [1,1,0,0,0,0|1,1,0]=4 167 B9R1.35 c1c(onc1Br)C(=O)O AB32047 [1,1,0,0,0,0|1,1,0]=4 168 B9R1.35 c1cc(sc1C(=O)Cl)Cl AB01959 [1,1,0,0,0,0|1,1,0]=4 169 B9R1.35 c1cc(sc1C(=O)O)Br PB21666 [1,1,0,0,0,0|0,2,0]=4 170 B9R1.35 c1cc(sc1C(=O)O)Cl PB12047 [1,1,0,0,0,0|0,2,0]=4 171 B9R1.35 c1cc(sc1C(=O)O)F PB22097 [1,1,0,0,0,0|0,2,0]=4 172 B9R1.35 c1cc(sc1C(=O)O)N MB07244 [1,1,0,0,0,0|0,2,0]=4 173 B9R1.41 CC(=O)C1=NC=CC1N AB66021 [1,1,0,0,0,0|1,0,1]=4 174 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [1,1,0,0,0,0|0,1,0]=3 175 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [1,1,0,0,0,0|0,1,0]=3 176 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.41 CC(=O)c1ccsc1N AB71423 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.41 CC(=O)c1nccn1C PB12530 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [1,1,0,0,0,0|1,1,0]=4 180 B9R1.41 Cc1ccoc1C(=O)O AB01137 [1,1,0,0,0,0|0,1,0]=3 181 B9R1.41 Cc1ccsc1C(=O)O AB00421 [1,1,0,0,0,0|0,2,0]=4 182 B9R1.41 Cn1cccc1C(=O)O CB10008 [1,1,0,0,0,0|1,1,0]=4 183 B9R1.41 c1cc(n(c1)N)C(=O)N PB26616 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [1,1,0,0,0,0|0,1,0]=3 185 B9R1.41 c1coc(c1I)C(=O)O AB85068 [1,1,0,0,0,0|0,1,0]=3 186 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [1,1,0,0,0,0|0,2,0]=4 187 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [1,1,0,0,0,0|0,2,0]=4 188 B9R1.41 c1csc(c1N)C(=O)N AB02202 [1,1,0,0,0,0|1,1,0]=4 189 B9R1.41 c1csc(c1N)C(=O)O AB14784 [1,1,0,0,0,0|0,2,0]=4 190 B11R1.16 CCOC(=O)c1cccnc1 AB00748 [0,1,0,0,0,1|1,1,0]=4 191 B11R1.16 CCOC(=O)c1ccncn1 AB52728 [0,1,0,0,0,1|1,1,0]=4 192 B11R1.16 CNCC(=O)c1ccccc1 AB16229 [0,1,0,0,0,1|2,0,0]=4 193 B11R1.16 c1ccc(cc1)C(=O)OCCl AB01791 [0,1,0,0,0,1|1,1,0]=4 194 B11R1.22 CCC(=O)c1ccc(cn1)Br AB68534 [0,1,0,0,0,1|2,0,0]=4 195 B11R1.22 CNC(=O)c1ccc(cc1)O MB02709 [0,1,0,0,0,1|2,0,0]=4 196 B11R1.22 CNC(=O)c1ccc(cn1)O MB11446 [0,1,0,0,0,1|2,0,0]=4 197 B11R1.22 CNC(=O)c1ccc(nc1)Br MB07978 [0,1,0,0,0,1|2,0,0]=4 198 B11R1.22 CNC(=O)c1ccc(nn1)Cl MB11670 [0,1,0,0,0,1|2,0,0]=4 199 B11R1.22 CNC(=O)c1cnc(cn1)Br MB14257 [0,1,0,0,0,1|2,0,0]=4 200 B11R1.22 COC(=O)c1ccc(cn1)Br PB29312 [0,1,0,0,0,1|1,1,0]=4 201 B11R1.22 COC(=O)c1ccc(cn1)Cl AB51080 [0,1,0,0,0,1|1,1,0]=4 202 B11R1.22 COC(=O)c1ccc(cn1)N PB26290 [0,1,0,0,0,1|1,1,0]=4 203 B11R1.22 COC(=O)c1ccc(cn1)O PB27686 [0,1,0,0,0,1|1,1,0]=4 204 B11R1.22 COC(=O)c1ccc(nc1)Br PB29326 [0,1,0,0,0,1|1,1,0]=4 205 B11R1.22 COC(=O)c1ccc(nc1)N PB19892 [0,1,0,0,0,1|1,1,0]=4 206 B11R1.22 COC(=O)c1ccc(nc1)O PB34296 [0,1,0,0,0,1|1,1,0]=4 207 B11R1.22 COC(=O)c1ccc(nn1)Br MB13587 [0,1,0,0,0,1|1,1,0]=4 208 B11R1.22 COC(=O)c1ccc(nn1)Cl PB18925 [0,1,0,0,0,1|1,1,0]=4 209 B11R1.22 COC(=O)c1ccc(nn1)N PB33362 [0,1,0,0,0,1|1,1,0]=4 210 B11R1.22 COC(=O)c1ccc(nn1)O PB13716 [0,1,0,0,0,1|1,1,0]=4 211 B11R1.22 COC(=O)c1cnc(cn1)Br MB08354 [0,1,0,0,0,1|1,1,0]=4 212 B11R1.22 COC(=O)c1cnc(cn1)Cl PB33958 [0,1,0,0,0,1|1,1,0]=4 213 B11R1.22 COC(=O)c1cnc(cn1)N PB12687 [0,1,0,0,0,1|1,1,0]=4 214 B11R1.22 COC(=O)c1cnc(cn1)O PB32586 [0,1,0,0,0,1|1,1,0]=4 215 B11R1.22 COC(=O)c1ncc(cn1)Br PB26634 [0,1,0,0,0,1|1,1,0]=4 216 B11R1.22 COC(=O)c1ncc(cn1)N PB10524 [0,1,0,0,0,1|1,1,0]=4 217 B11R1.22 COC(=O)c1ncc(cn1)N PB37109 [0,1,0,0,0,1|1,1,0]=4 218 B11R1.22 Cc1cnc(nc1)C(=O)OC PB28603 [0,1,0,0,0,1|1,1,0]=4 219 B11R1.23 CNC(=O)c1cc(ccn1)Br MB13829 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.23 CNC(=O)c1cc(ccn1)Cl AB11548 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.23 CNC(=O)c1cc(ccn1)N AB65387 [0,1,0,0,0,1|2,0,0]=4 222 B11R1.23 CNC(=O)c1cc(ccn1)O MB25398 [0,1,0,0,0,1|2,0,0]=4 223 B11R1.23 CNC(=O)c1cc(cnc1)Br MB02044 [0,1,0,0,0,1|2,0,0]=4 224 B11R1.23 CNC(=O)c1cc(cnc1)O MB25513 [0,1,0,0,0,1|2,0,0]=4 225 B11R1.23 CNC(=O)c1cccc(c1)O MB06615 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.23 CNC(=O)c1cccc(n1)Br MB08958 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.23 CNC(=O)c1ccnc(c1)Br MB02752 [0,1,0,0,0,1|2,0,0]=4 228 B11R1.23 CNC(=O)c1cncc(n1)Br MB14297 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.23 COC(=O)c1cc(ccn1)Br PB30917 [0,1,0,0,0,1|1,1,0]=4 230 B11R1.23 COC(=O)c1cc(ccn1)Cl AB20667 [0,1,0,0,0,1|1,1,0]=4 231 B11R1.23 COC(=O)c1cc(ccn1)Cl PB18698 [0,1,0,0,0,1|1,1,0]=4 232 B11R1.23 COC(=O)c1cc(ccn1)F AB40664 [0,1,0,0,0,1|1,1,0]=4 233 B11R1.23 COC(=O)c1cc(ccn1)O AB65280 [0,1,0,0,0,1|1,1,0]=4 234 B11R1.23 COC(=O)c1cc(cnc1)Br PB10112 [0,1,0,0,0,1|1,1,0]=4 235 B11R1.23 COC(=O)c1cc(cnc1)F PB12769 [0,1,0,0,0,1|1,1,0]=4 236 B11R1.23 COC(=O)c1cc(cnc1)N PB12793 [0,1,0,0,0,1|1,1,0]=4 237 B11R1.23 COC(=O)c1cc(cnc1)O AB04590 [0,1,0,0,0,1|1,1,0]=4 238 B11R1.23 COC(=O)c1cc(ncn1)Br MB14353 [0,1,0,0,0,1|1,1,0]=4 239 B11R1.23 COC(=O)c1cc[nH]c(=O)c1 PB32713 [0,1,0,0,0,1|1,1,0]=4 240 B11R1.23 COC(=O)c1cccc(c1)Cl AB00128 [0,1,0,0,0,1|1,1,0]=4 241 B11R1.23 COC(=O)c1cccc(n1)Br AB23211 [0,1,0,0,0,1|1,1,0]=4 242 B11R1.23 COC(=O)c1cccc(n1)Cl MB00777 [0,1,0,0,0,1|1,1,0]=4 243 B11R1.23 COC(=O)c1cccc(n1)I AB42501 [0,1,0,0,0,1|1,1,0]=4 244 B11R1.23 COC(=O)c1cccc(n1)N PB25993 [0,1,0,0,0,1|1,1,0]=4 245 B11R1.23 COC(=O)c1ccnc(c1)Br AB16210 [0,1,0,0,0,1|1,1,0]=4 246 B11R1.23 COC(=O)c1ccnc(c1)Cl PB12260 [0,1,0,0,0,1|1,1,0]=4 247 B11R1.23 COC(=O)c1ccnc(c1)I AB43759 [0,1,0,0,0,1|1,1,0]=4 248 B11R1.23 COC(=O)c1ccnc(c1)N PB29300 [0,1,0,0,0,1|1,1,0]=4 249 B11R1.23 COC(=O)c1ccnc(n1)Br MB14325 [0,1,0,0,0,1|1,1,0]=4 250 B11R1.23 COC(=O)c1ccnc(n1)Cl PB23898 [0,1,0,0,0,1|1,1,0]=4 251 B11R1.23 COC(=O)c1cncc(n1)Cl PB17754 [0,1,0,0,0,1|1,1,0]=4 252 B11R1.23 COC(=O)c1cncc(n1)N AB60529 [0,1,0,0,0,1|1,1,0]=4 253 B11R1.23 COC(=O)c1nccc(n1)Br MB13584 [0,1,0,0,0,1|1,1,0]=4 254 B11R1.23 Cc1cc(ccn1)C(=O)OC AB55692 [0,1,0,0,0,1|1,1,0]=4 255 B11R1.23 Cc1cc(cnc1)C(=O)OC PB14201 [0,1,0,0,0,1|1,1,0]=4 256 B11R1.23 Cc1cc(ncn1)C(=O)OC PB28486 [0,1,0,0,0,1|1,1,0]=4 257 B11R1.36 CN(C)C(=O)c1cccnc1 MB00495 [0,1,0,0,0,1|2,0,0]=4 258 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,1|2,0,0]=4 259 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,1,0,0,0,1|2,0,0]=4 260 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,0,1|2,0,0]=4 261 B11R1.222 CNC(=O)c1ccncc1O MB25570 [0,1,0,0,0,1|2,0,0]=4 262 B11R1.222 CNC(=O)c1cnccc1O MB38207 [0,1,0,0,0,1|2,0,0]=4 263 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,1,0,0,0,1|1,1,0]=4 264 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,1,0,0,0,1|1,1,0]=4 265 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,1,0,0,0,1|1,1,0]=4 266 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,1,0,0,0,1|1,1,0]=4 267 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,1,0,0,0,1|1,1,0]=4 268 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,1,0,0,0,1|1,1,0]=4 269 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,1,0,0,0,1|1,1,0]=4 270 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,1,0,0,0,1|1,1,0]=4 271 B11R1.222 COC(=O)c1ccncc1Br PB14358 [0,1,0,0,0,1|1,1,0]=4 272 B11R1.222 COC(=O)c1ccncc1I PB10250 [0,1,0,0,0,1|1,1,0]=4 273 B11R1.222 COC(=O)c1ccncc1N PB21166 [0,1,0,0,0,1|1,1,0]=4 274 B11R1.222 COC(=O)c1cnccc1Cl AB56385 [0,1,0,0,0,1|1,1,0]=4 275 B11R1.222 COC(=O)c1cnccc1F AB70564 [0,1,0,0,0,1|1,1,0]=4 276 B11R1.222 COC(=O)c1cnccc1N PB32232 [0,1,0,0,0,1|1,1,0]=4 277 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,1,0,0,0,1|1,1,0]=4 278 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,0,0,0,1|1,1,0]=4 279 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,1,0,0,0,1|1,1,0]=4 280 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [0,1,0,0,0,1|1,1,0]=4 281 B11R1.30 CCOC(=O)Cc1ncco1 AB62459 [0,1,0,0,0,1|1,1,0]=4 282 B11R1.39 COC(=O)Cc1cnc(o1)N AB61458 [0,1,0,0,0,1|1,1,0]=4 283 B11R1.15 CCOC(=O)c1cc(cs1)Br AB23220 [0,2,0,0,0,0|0,2,0]=4 284 B11R1.15 CCOC(=O)c1cc(no1)C CB11550 [0,2,0,0,0,0|1,1,0]=4 285 B11R1.15 CCOC(=O)c1ccc(o1)Br AB03314 [0,2,0,0,0,0|0,1,0]=3 286 B11R1.15 CCOC(=O)c1ccc(s1)Br AB12313 [0,2,0,0,0,0|0,2,0]=4 287 B11R1.15 CCOC(=O)c1cnc(o1)Br AB51143 [0,2,0,0,0,0|1,1,0]=4 288 B11R1.15 CCOC(=O)c1cnc(o1)C MB09197 [0,2,0,0,0,0|1,1,0]=4 289 B11R1.15 CCOC(=O)c1cnc(o1)Cl AB50633 [0,2,0,0,0,0|1,1,0]=4 290 B11R1.15 CCOC(=O)c1cnc(o1)N AB25588 [0,2,0,0,0,0|1,1,0]=4 291 B11R1.15 CCOC(=O)c1ncc(o1)C AB53497 [0,2,0,0,0,0|1,1,0]=4 292 B11R1.199 CCOC(=O)c1c(cco1)N AB55412 [0,2,0,0,0,0|0,1,0]=3 293 B11R1.199 CCOC(=O)c1c(ccs1)Br MB03699 [0,2,0,0,0,0|0,2,0]=4 294 B11R1.199 CCOC(=O)c1c(ccs1)N AB55410 [0,2,0,0,0,0|0,2,0]=4 295 B11R1.199 CCOC(=O)c1c(nco1)C AB02449 [0,2,0,0,0,0|1,1,0]=4 296 B11R1.44 COC(=O)c1ccc(s1)CN AB30257 [0,2,0,0,0,0|0,2,0]=4 297 B11R1.44 COC(=O)c1nc(co1)CCl AB77015 [0,2,0,0,0,0|1,1,0]=4 298 B11R1.225 COC(=O)c1c(cc(s1)Br)N PB33047 [0,2,0,0,0,0|0,2,0]=4 299 B11R1.225 COC(=O)c1c(cc(s1)Cl)O MB14682 [0,2,0,0,0,0|0,2,0]=4 300 B11R1.225 Cc1cc(c(s1)C(=O)OC)N PB15649 [0,2,0,0,0,0|0,2,0]=4 301 B11R1.225 Cc1cc(c(s1)C(=O)OC)O MB02072 [0,2,0,0,0,0|0,2,0]=4 302 B11R1.225 Cn1cc(cc1C(=O)OC)Br AB44694 [0,2,0,0,0,0|1,1,0]=4 303 B11R1.865 COC(=O)c1c(c(cs1)Cl)O MB14669 [0,2,0,0,0,0|0,2,0]=4 304 B11R1.357 c1cc(oc1)C(=O)C(F)(F)F AB41888 [0,2,0,0,0,0|2,0,0]=4 305 B11R1.59 COC(=O)c1c(cco1)CBr AB43018 [0,2,0,0,0,0|0,1,0]=3 306 B11R1.59 COC(=O)c1c(ccs1)C#N AB08489 [0,2,0,0,0,0|0,2,0]=4 307 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,0,1,1,0,0|2,0,0]=4 308 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,0,1,1,0,0|2,0,0]=4 309 B9R1.3 Cc1cccc(c1I)O MB23494 [0,0,1,1,0,0|2,0,0]=4 310 B9R1.3 Cn1cccc(c1=O)Br PB32951 [0,0,1,1,0,0|2,0,0]=4 311 B9R1.3 Cn1cccc(c1=O)N PB15071 [0,0,1,1,0,0|2,0,0]=4 312 B9R1.15 CCc1c(cccn1)O MB01433 [0,0,1,1,0,0|2,0,0]=4 313 B9R1.15 COc1c(cccn1)O AB06074 [0,0,1,1,0,0|1,1,0]=4 314 B9R1.15 CSc1c(cccn1)O MB01598 [0,0,1,1,0,0|1,0,0]=3 315 B9R1.15 CSc1ccncc1O MB25632 [0,0,1,1,0,0|2,0,0]=4 316 B9R1.15 CSc1cnccc1O MB31499 [0,0,1,1,0,0|2,0,0]=4 317 B9R1.2 CNc1cccc(c1)O MB25493 [0,0,1,1,0,0|2,0,0]=4 318 B9R1.2 COc1cccc(n1)O AB31854 [0,0,1,1,0,0|1,1,0]=4 319 B9R1.2 CSc1cc(ccn1)O MB36936 [0,0,1,1,0,0|2,0,0]=4 320 B9R1.2 CSc1cc(cnc1)O MB28894 [0,0,1,1,0,0|2,0,0]=4 321 B9R1.2 CSc1cccc(n1)Br MB07302 [0,0,1,1,0,0|2,0,0]=4 322 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,1,0,1|1,1,0]=4 323 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,1|2,0,0]=4 324 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,1,0,1|2,0,0]=4 325 B11R2.1 c1cncc2c1C(=O)NC2 AB66595 [0,0,0,1,0,1|2,0,0]=4 326 B11R2.1 c1cncc2c1CNC2=O PB33122 [0,0,0,1,0,1|2,0,0]=4 327 B11R2.106 c1cc2n(c1)CCNC2=O AB52677 [0,1,0,1,0,0|2,0,0]=4 328 B11R2.106 c1csc2c1CCNC2=O MB14511 [0,1,0,1,0,0|1,1,0]=4 329 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,1|1,0,0]=3 330 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,1|1,0,0]=3 331 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,0,0,0,1|1,0,0]=3 332 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,1|1,0,0]=3 333 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,0,0,0,1|1,0,0]=3 334 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,0,0,0,1|2,0,0]=4 335 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,0,0,0,1|1,0,0]=3 336 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,0,0,0,1|2,0,0]=4 337 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,0,0,0,1|1,0,0]=3 338 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [1,0,0,0,0,1|1,1,0]=4 339 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,0,1|1,1,0]=4 340 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,0,0,0,0,1|1,1,0]=4 341 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [1,0,0,0,0,1|1,1,0]=4 342 B9R1.6 c1cnccc1C(=O)O AB00757 [1,0,0,0,0,1|1,1,0]=4 343 B9R1.6 c1cncnc1C(=O)O PB29023 [1,0,0,0,0,1|1,1,0]=4 344 B11R1.40 COC(=O)Cc1ccccn1 PB18397 [0,0,0,0,0,2|1,1,0]=4 345 B11R1.40 COC(=O)Cc1cccnc1 PB30559 [0,0,0,0,0,2|1,1,0]=4 346 B11R1.40 COC(=O)Cc1cccnn1 PB10290 [0,0,0,0,0,2|1,1,0]=4 347 B11R1.40 COC(=O)Cc1ccncc1 PB12720 [0,0,0,0,0,2|1,1,0]=4 348 B11R1.40 COC(=O)Cc1ccncn1 PB21336 [0,0,0,0,0,2|1,1,0]=4 349 B11R1.40 COC(=O)Cc1cnccn1 PB20098 [0,0,0,0,0,2|1,1,0]=4