0 B10R1.61 B(c1c(cccn1)C)(O)O AB06942 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 B(c1cccnc1C)(O)O AB25945 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 CC(=O)c1c(cccn1)Cl PB28312 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 CC(=O)c1c(cccn1)F PB26212 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.61 CC(=O)c1c(cccn1)N AB08681 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.61 CC(=O)c1c(nccn1)Cl PB31492 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.61 CC(=O)c1c(nccn1)N PB17764 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.61 CC(=O)c1cccnc1Br AB18171 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.61 CC(=O)c1cccnc1Cl PB32351 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.61 CC(=O)c1cccnc1F AB41104 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.61 CC(=O)c1cccnc1N AB11689 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 CC(=O)c1ccncc1Br PB12099 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.61 CC(=O)c1ccncc1F PB22036 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.61 CC(=O)c1ccncc1N AB41121 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.61 CC(=O)c1cnccc1Br AB64732 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.61 CC(=O)c1cnccc1Cl AB64447 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.61 CC(=O)c1cnccc1F AB41107 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.61 CC(C)c1c(cccn1)O MB22687 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.61 CC(C)c1c(nccn1)Cl AB70582 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.61 CC(c1cccnc1Br)N AB41828 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.61 CC(c1cccnc1Cl)N AB67346 [0,0,0,0,0,0|3,0,1]=4 21 B10R1.61 CN(C)c1c(cccn1)Br AB67478 [0,0,0,0,0,0|4,0,0]=4 22 B10R1.61 CN(C)c1c(cccn1)Cl AB67480 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.61 CN(C)c1c(cccn1)O MB24991 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.61 CN(C)c1c(nccn1)Cl MB12030 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.61 Cc1c(cccn1)C(=O)C AB03570 [0,0,0,0,0,0|1,0,0]=1 26 B10R1.61 Cc1c(cccn1)C(=O)O PB27380 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.61 Cc1c(cccn1)C(C)C AB65910 [0,0,0,0,0,0|2,0,1]=3 28 B10R1.61 Cc1c(cccn1)C(C)N AB66938 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.61 Cc1c(cccn1)[N+](=O)[O-] PB15768 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.61 Cc1c(ccnn1)C(=O)O PB22593 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 Cc1c(nccn1)C(=O)O PB12562 [0,0,0,0,0,0|1,0,0]=1 32 B10R1.61 Cc1ccccc1C(=N)N AB18273 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.61 Cc1ccccc1C(=S)N AB16881 [0,0,0,0,0,0|3,1,0]=4 34 B10R1.61 Cc1cccnc1C(=O)O PB10121 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.61 Cc1ccncc1C(=O)C AB45306 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.61 Cc1ccncc1C(=O)O PB17119 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.61 Cc1ccnnc1C(=O)O PB17664 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.61 Cc1cnccc1C(=O)O PB12103 [0,0,0,0,0,0|4,0,0]=4 39 B10R1.61 c1c(c(ncn1)C(=O)O)Br PB12688 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.61 c1c(c(ncn1)Cl)C(=O)O AB51529 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.61 c1c(c(ncn1)N)C(=O)O AB02045 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.61 c1cc(c(nc1)Br)C(=O)O AB09561 [0,0,0,0,0,0|3,0,0]=3 43 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] PB12717 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.61 c1cc(c(nc1)C(=O)N)N PB24920 [0,0,0,0,0,0|3,0,0]=3 45 B10R1.61 c1cc(c(nc1)C(=O)O)Cl PB30690 [0,0,0,0,0,0|3,0,0]=3 46 B10R1.61 c1cc(c(nc1)C(=O)O)F PB12310 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.61 c1cc(c(nc1)C(=O)O)I AB10544 [0,0,0,0,0,0|3,0,0]=3 48 B10R1.61 c1cc(c(nc1)C(=O)O)N PB32134 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.61 c1cc(c(nc1)Cl)C(=N)N MB05508 [0,0,0,0,0,0|4,0,0]=4 50 B10R1.61 c1cc(c(nc1)Cl)C(=O)O AB00651 [0,0,0,0,0,0|3,0,0]=3 51 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] PB33644 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.61 c1cc(c(nc1)F)C(=O)O AB01814 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.61 c1cc(c(nc1)N)C(=O)O PB30535 [0,0,0,0,0,0|3,0,0]=3 54 B10R1.61 c1cc(c(nc1)N)[N+](=O)[O-] PB19852 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.61 c1cc(c(nc1)O)C(=O)O AB01020 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] PB30530 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O AB00667 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.61 c1ccc(c(c1)C(=O)O)Br AB00223 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.61 c1cnc(c(n1)C(=O)Cl)Cl AB60404 [0,0,0,0,0,0|2,0,0]=2 60 B10R1.61 c1cnc(c(n1)C(=O)N)N AB14047 [0,0,0,0,0,0|2,0,0]=2 61 B10R1.61 c1cnc(c(n1)C(=O)N)O CB10307 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.61 c1cnc(c(n1)C(=O)O)Cl PB23222 [0,0,0,0,0,0|2,0,0]=2 63 B10R1.61 c1cnc(c(n1)C(=O)O)N AB00606 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.61 c1cnc(c(n1)C(=O)O)O PB18475 [0,0,0,0,0,0|2,0,0]=2 65 B10R1.61 c1cnc(c(n1)[N+](=O)[O-])Cl AB60519 [0,0,0,0,0,0|3,0,0]=3 66 B10R1.61 c1cnnc(c1C(=O)O)O AB76276 [0,0,0,0,0,0|4,0,0]=4 67 B10R1.61 c1nc(c(nn1)C(=O)O)O AB72460 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.6 B(c1cnccn1)(O)O AB48451 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.6 C=C(c1ccccn1)Br AB31950 [1,0,0,0,0,0|2,0,1]=4 70 B9R1.6 CC(=O)c1ccccn1 AB00686 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.6 CC(=O)c1cccnc1 AB00750 [1,0,0,0,0,0|1,0,0]=2 72 B9R1.6 CC(=O)c1cccnn1 PB16551 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.6 CC(=O)c1ccncc1 AB00760 [1,0,0,0,0,0|3,0,0]=4 74 B9R1.6 CC(=O)c1ccncn1 PB17606 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.6 CC(=O)c1ccnnc1 PB26895 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.6 CC(=O)c1cnccn1 AB00602 [1,0,0,0,0,0|0,0,0]=1 77 B9R1.6 CC(=O)c1cncnc1 PB20327 [1,0,0,0,0,0|2,0,0]=3 78 B9R1.6 CC(=O)c1ncccn1 PB34295 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.6 CC(C)c1ccccn1 PB21659 [1,0,0,0,0,0|2,0,1]=4 80 B9R1.6 CC(c1ccccn1)N AB21604 [1,0,0,0,0,0|2,0,1]=4 81 B9R1.6 CC(c1cccnc1)N AB09764 [1,0,0,0,0,0|2,0,1]=4 82 B9R1.6 CC(c1cnccn1)N PB14922 [1,0,0,0,0,0|1,0,1]=3 83 B9R1.6 C[C@@H](c1cccnc1)N AB49737 [1,0,0,0,0,0|2,0,1]=4 84 B9R1.6 C[C@H](c1cccnc1)N AB49734 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.6 c1c(cncn1)C(=O)O PB23195 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.6 c1c(ncnn1)C(=O)O AB72448 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.6 c1cc(nnc1)C(=O)O PB21767 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.6 c1ccnc(c1)C(=N)N MB00460 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.6 c1ccnc(c1)C(=O)O AB00685 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.6 c1ccnc(c1)C(=S)N AB03215 [1,0,0,0,0,0|2,1,0]=4 91 B9R1.6 c1cnc(cn1)C(=N)N AB02172 [1,0,0,0,0,0|2,0,0]=3 92 B9R1.6 c1cnc(cn1)C(=O)O PB27363 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.6 c1cnc(nc1)C(=O)O PB18516 [1,0,0,0,0,0|3,0,0]=4 94 B9R1.6 c1cncnc1C(=O)O PB29023 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.6 c1cnnc(n1)C(=O)O AB48886 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.6 c1cnncc1C(=O)O PB17054 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.15 CCc1c(cccn1)Br AB68544 [1,0,0,0,0,0|2,0,1]=4 98 B9R1.15 CCc1c(cccn1)O MB01433 [1,0,0,0,0,0|2,0,1]=4 99 B9R1.15 CNc1c(nccn1)Cl MB13992 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.15 CNc1cccnc1Br AB39252 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.15 COc1c(cccn1)Br PB20024 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.15 COc1c(cccn1)Cl AB13603 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.15 COc1c(cccn1)F AB13397 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.15 COc1c(cccn1)I AB13400 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.15 COc1c(cccn1)N AB07386 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.15 COc1c(cccn1)O AB06074 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.15 COc1c(nccn1)Cl MB02506 [1,0,0,0,0,0|2,0,0]=3 108 B9R1.15 COc1c(nccn1)N AB22450 [1,0,0,0,0,0|2,0,0]=3 109 B9R1.15 COc1cccnc1Br PB29151 [1,0,0,0,0,0|3,0,0]=4 110 B9R1.15 COc1cccnc1Cl AB14749 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.15 COc1cccnc1I AB05182 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.15 COc1cccnc1N AB40614 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.15 COc1cccnc1O AB43293 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.15 CSc1c(cccn1)O MB01598 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.15 CSc1cccnc1Br MB13966 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.15 Cc1c(cccn1)C#C AB66573 [1,0,0,0,0,0|1,0,2]=4 117 B9R1.15 Cc1c(cccn1)C#N PB23449 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.15 Cc1c(cccn1)C=O PB27878 [1,0,0,0,0,0|1,0,0]=2 119 B9R1.15 Cc1c(cccn1)CBr PB19196 [1,0,0,0,0,0|2,0,1]=4 120 B9R1.15 Cc1c(cccn1)CCl AB51469 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.15 Cc1c(cccn1)CCl PB28159 [1,0,0,0,0,0|2,0,1]=4 122 B9R1.15 Cc1c(cccn1)CN AB14093 [1,0,0,0,0,0|2,0,1]=4 123 B9R1.15 Cc1c(cccn1)CO AB01512 [1,0,0,0,0,0|1,0,2]=4 124 B9R1.15 Cc1c(cccn1)OC AB03569 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.15 Cc1c(nccn1)C#N AB48635 [1,0,0,0,0,0|1,0,1]=3 126 B9R1.15 Cc1c(nccn1)C=O PB13166 [1,0,0,0,0,0|0,0,0]=1 127 B9R1.15 Cc1c(nccn1)CCl PB22746 [1,0,0,0,0,0|1,0,1]=3 128 B9R1.15 Cc1c(nccn1)CN PB38635 [1,0,0,0,0,0|1,0,1]=3 129 B9R1.15 Cc1c(nccn1)CO PB22269 [1,0,0,0,0,0|0,0,2]=3 130 B9R1.15 Cc1cccnc1C=O PB14292 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.15 Cc1cccnc1CCl PB32645 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.15 Cc1cccnc1CN AB20671 [1,0,0,0,0,0|2,0,1]=4 133 B9R1.15 Cc1cccnc1CO AB12590 [1,0,0,0,0,0|1,0,2]=4 134 B9R1.15 Cc1cccnc1OC AB31414 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.15 Cc1ccncc1C=O PB23498 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.15 Cc1cnccc1C=O AB11481 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.15 c1c(c(ncn1)Cl)C=O AB65173 [1,0,0,0,0,0|3,0,0]=4 138 B9R1.15 c1c(c(ncn1)N)C=O AB55705 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.15 c1cc(c(nc1)Br)C=O AB20862 [1,0,0,0,0,0|2,0,0]=3 140 B9R1.15 c1cc(c(nc1)C=O)Br AB42598 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.15 c1cc(c(nc1)C=O)F PB22063 [1,0,0,0,0,0|2,0,0]=3 142 B9R1.15 c1cc(c(nc1)C=O)N AB42378 [1,0,0,0,0,0|2,0,0]=3 143 B9R1.15 c1cc(c(nc1)C=O)O PB12355 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.15 c1cc(c(nc1)Cl)C=O PB27532 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.15 c1cc(c(nc1)F)C=O AB13640 [1,0,0,0,0,0|2,0,0]=3 146 B9R1.15 c1cc(c(nc1)N)C=O AB09963 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.15 c1cc(c(nc1)O)C=O AB55041 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.15 c1ccc(c(c1)C=O)I PB15618 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.15 c1cnc(c(n1)C#N)Cl PB12144 [1,0,0,0,0,0|2,0,1]=4 150 B9R1.15 c1cnc(c(n1)C#N)N AB10707 [1,0,0,0,0,0|2,0,1]=4 151 B9R1.15 c1cnc(c(n1)C=O)Cl AB32644 [1,0,0,0,0,0|1,0,0]=2 152 B9R1.15 c1cnc(c(n1)C=O)N PB10822 [1,0,0,0,0,0|1,0,0]=2 153 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.15 c1cnc(c(n1)CN)N AB53146 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [1,0,0,0,0,0|1,0,2]=4 157 B9R1.15 c1cnc(c(n1)NN)Cl PB16012 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.15 c1nc(c(nn1)Cl)C=O AB72441 [1,0,0,0,0,0|2,0,0]=3 159 B11R1.53 CC(=O)c1cccnc1OC AB64711 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.53 CC(=O)c1cnccc1OC AB67883 [0,1,0,0,0,0|3,0,0]=4 161 B11R1.53 CC(C)c1cccnc1CO AB65913 [0,1,0,0,0,0|2,0,1]=4 162 B11R1.53 CC(c1cccnc1OC)N AB67098 [0,1,0,0,0,0|2,0,1]=4 163 B11R1.53 CCc1c(cccn1)[N+](=O)[O-] PB33572 [0,1,0,0,0,0|3,0,0]=4 164 B11R1.53 COc1c(cccn1)C(=O)O PB18444 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.53 COc1c(nccn1)C(=O)O AB60438 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.53 COc1cccnc1C(=O)O MB04405 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.53 COc1cccnc1[N+](=O)[O-] AB04964 [0,1,0,0,0,0|3,0,0]=4 168 B11R1.53 c1cc(c(nc1)C#N)C(=O)N AB31820 [0,1,0,0,0,0|2,0,1]=4 169 B11R1.53 c1cc(c(nc1)C#N)C(=O)O AB31804 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.53 c1cc(c(nc1)C(=O)N)C#N AB31810 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.53 c1cc(c(nc1)C(=O)O)C#N AB31808 [0,1,0,0,0,0|2,0,1]=4 172 B11R1.53 c1ccc(c(c1)CCl)C(=O)Cl CB10271 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.87 CC(C)(C)c1c(nccn1)Cl MB13968 [0,1,0,0,0,0|2,0,1]=4 174 B11R1.87 CS(=O)(=O)c1c(cccn1)Br MB13952 [0,1,0,0,0,0|3,0,0]=4 175 B11R1.87 CS(=O)(=O)c1c(nccn1)Cl MB13985 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.87 CS(=O)(=O)c1cccnc1Br MB13950 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.87 CS(=O)(=O)c1cccnc1Cl PB15279 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.87 Cc1c(cccn1)C(C)(C)N AB66961 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.87 Cc1c(cccn1)S(=O)(=O)Cl AB66972 [0,1,0,0,0,0|3,0,0]=4 180 B11R1.156 CC(=O)c1c(ccnc1Br)N AB83821 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.156 CC(=O)c1c(ccnc1Br)O AB84219 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.156 CC(=O)c1c(ccnc1Cl)N AB83824 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.156 CC(=O)c1c(ccnc1Cl)O AB84222 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.156 CC(=O)c1c(ccnc1F)Cl AB83199 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.156 CC(=O)c1c(ccnc1N)O AB84223 [0,1,0,0,0,0|2,0,0]=3 186 B11R1.156 CC(=O)c1c(ccnc1O)Br AB84232 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.156 CC(=O)c1c(ccnc1O)Cl AB84233 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.156 CC(=O)c1c(ccnc1O)N AB84237 [0,1,0,0,0,0|2,0,0]=3 189 B11R1.156 Cc1c(c(ccn1)Br)C(=O)O AB66865 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)C AB75127 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.156 Cc1c(c(ccn1)Cl)C(=O)O AB49266 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.156 Cc1c(c(ccn1)F)C(=O)C AB83017 [0,1,0,0,0,0|1,0,0]=2 193 B11R1.156 Cc1c(c(ccn1)F)C(=O)O AB66874 [0,1,0,0,0,0|2,0,0]=3 194 B11R1.156 Cc1c(c(ccn1)N)C(=O)C AB83826 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.156 Cc1c(c(ccn1)O)C(=O)C AB84225 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.156 Cc1c(c(ccn1)O)C(=O)O AB66885 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.156 Cc1c(c(ncn1)C)C(=O)O AB42986 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.156 Cc1cccc(c1C(=O)N)O MB23485 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.156 Cc1cccc(c1C(=O)O)O MB01720 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.156 Cc1ccnc(c1C(=O)C)C AB76229 [0,1,0,0,0,0|1,0,0]=2 201 B11R1.156 Cc1ccnc(c1C(=O)C)Cl AB83342 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.156 Cc1ccnc(c1C(=O)C)F AB41110 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.156 Cc1ccnc(c1C(=O)C)O AB84238 [0,1,0,0,0,0|2,0,0]=3 204 B11R1.156 Cc1ccnc(c1C(=O)O)Br AB67819 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.156 Cc1ccnc(c1C(=O)O)C AB13832 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.156 Cc1ccnc(c1C(=O)O)C AB21009 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.156 Cc1ccnc(c1C(=O)O)Cl AB64079 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.156 Cc1ccnc(c1C(=O)O)F AB67822 [0,1,0,0,0,0|3,0,0]=4 209 B11R1.156 Cc1ccnc(c1C(=O)O)N AB15101 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.156 Cc1cncc(c1C(=O)C)C AB76702 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.156 Cc1cncc(c1C(=O)C)Cl AB75144 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.156 Cc1cncc(c1C(=O)C)F AB75182 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.156 Cc1cncc(c1C(=O)C)N AB83771 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.156 Cc1cncc(c1C(=O)C)O AB84140 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.156 c1cnc(c(c1Br)C(=O)O)Cl AB67961 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.156 c1cnc(c(c1Br)C(=O)O)N AB83474 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.156 c1cnc(c(c1Cl)C(=O)O)Cl PB21990 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.156 c1cnc(c(c1Cl)C(=O)O)F AB70640 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.156 c1cnc(c(c1Cl)C(=O)O)N AB76504 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.156 c1cnc(c(c1F)C(=O)O)Br AB68046 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.156 c1cnc(c(c1F)C(=O)O)Cl AB62791 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.156 c1cnc(c(c1F)C(=O)O)F AB49328 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.156 c1cnc(c(c1I)C(=O)O)Cl AB21846 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.156 c1cnc(c(c1N)C(=O)O)Br AB68111 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.156 c1cnc(c(c1N)C(=O)O)Cl PB30056 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.156 c1cnc(c(c1N)C(=O)O)N AB83473 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.159 CC(=O)c1c(c(ccn1)Br)N AB83862 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.159 CC(=O)c1c(c(ccn1)Br)O AB84339 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.159 CC(=O)c1c(c(ccn1)Cl)F AB83138 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.159 CC(=O)c1c(c(ccn1)Cl)N AB83864 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.159 CC(=O)c1c(c(ccn1)Cl)O AB75015 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.159 CC(=O)c1c(c(ccn1)F)Cl AB83004 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.159 CC(=O)c1c(c(ccn1)N)O AB84343 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.159 CC(=O)c1c(c(ccn1)O)Cl AB75008 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.159 CC(=O)c1cccc(c1F)Br PB23641 [0,1,0,0,0,0|3,0,0]=4 236 B11R1.159 CC(=O)c1cccc(c1F)O AB69664 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.159 CC(=O)c1cccc(c1O)Br AB43855 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.159 Cc1c(cccc1O)C(=O)N MB23343 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.159 Cc1c(ccnc1C(=O)C)Cl AB75838 [0,1,0,0,0,0|1,0,0]=2 240 B11R1.159 Cc1c(ccnc1C(=O)C)F AB82924 [0,1,0,0,0,0|1,0,0]=2 241 B11R1.159 Cc1c(ccnc1C(=O)O)Cl AB52815 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.159 Cc1c(ccnc1C(=O)O)F AB74897 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.159 Cc1c(ccnc1Cl)C(=O)C AB74659 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.159 Cc1c(ccnc1F)C(=O)C AB82852 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.159 Cc1c(cncc1Cl)C(=O)C AB83284 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.159 Cc1c(nccc1C(=O)C)C AB55628 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.159 Cc1ccnc(c1C)C(=O)C AB50233 [0,1,0,0,0,0|1,0,0]=2 248 B11R1.159 Cc1ccnc(c1C)C(=O)O AB75404 [0,1,0,0,0,0|2,0,0]=3 249 B11R1.159 Cc1ccnc(c1Cl)C(=O)C AB83298 [0,1,0,0,0,0|2,0,0]=3 250 B11R1.159 Cc1ccnc(c1Cl)C(=O)O AB74922 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.159 Cc1ccnc(c1N)C(=O)C AB83869 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.159 Cc1ccnc(c1N)C(=O)O AB66557 [0,1,0,0,0,0|3,0,0]=4 253 B11R1.159 Cc1ccnc(c1O)C(=O)C AB84344 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.159 Cc1cncc(c1C)C(=O)C AB75501 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.159 c1cnc(c(c1Br)N)C(=O)O AB83572 [0,1,0,0,0,0|3,0,0]=4 256 B11R1.159 c1cnc(c(c1Cl)Cl)C(=O)O AB10183 [0,1,0,0,0,0|3,0,0]=4 257 B11R1.159 c1cnc(c(c1Cl)F)C(=O)O AB70765 [0,1,0,0,0,0|3,0,0]=4 258 B11R1.159 c1cnc(c(c1Cl)N)C(=O)O AB83574 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.159 c1cnc(c(c1Cl)O)C(=O)O AB76139 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.159 c1cnc(c(c1F)Cl)C(=O)O AB74915 [0,1,0,0,0,0|3,0,0]=4 261 B11R1.159 c1cnc(c(c1O)Cl)C(=O)O AB74889 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.166 CC(=O)c1c(cc(cn1)Br)Br AB43404 [0,1,0,0,0,0|2,0,0]=3 263 B11R1.166 CC(=O)c1c(cc(cn1)Br)N AB77139 [0,1,0,0,0,0|2,0,0]=3 264 B11R1.166 CC(=O)c1c(cc(cn1)Br)O AB84315 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.166 CC(=O)c1c(cc(cn1)Cl)F AB75038 [0,1,0,0,0,0|2,0,0]=3 266 B11R1.166 CC(=O)c1c(cc(cn1)Cl)N AB73056 [0,1,0,0,0,0|2,0,0]=3 267 B11R1.166 CC(=O)c1c(cc(cn1)Cl)O AB75011 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.166 CC(=O)c1c(cc(cn1)F)Cl AB74653 [0,1,0,0,0,0|2,0,0]=3 269 B11R1.166 CC(=O)c1c(cc(cn1)F)N AB77154 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.166 CC(=O)c1c(cc(cn1)N)N AB83853 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.166 CC(=O)c1c(cc(cn1)N)O AB84318 [0,1,0,0,0,0|2,0,0]=3 272 B11R1.166 CC(=O)c1ccc(cc1F)Br MB02747 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.166 CC(=O)c1ccc(cc1F)N MB05492 [0,1,0,0,0,0|3,0,0]=4 274 B11R1.166 CC(=O)c1ccc(cc1O)Br AB15427 [0,1,0,0,0,0|3,0,0]=4 275 B11R1.166 CC(=O)c1ccc(nc1Cl)Cl AB64664 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.166 CC(=O)c1ccc(nc1F)Br AB72629 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.166 CC(=O)c1ccc(nc1F)Cl AB72627 [0,1,0,0,0,0|2,0,0]=3 278 B11R1.166 CC(=O)c1ccc(nc1N)Br AB83837 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.166 CC(=O)c1ccc(nc1N)Cl AB75425 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.166 CC(=O)c1ccc(nc1N)N AB83840 [0,1,0,0,0,0|2,0,0]=3 281 B11R1.166 CC(=O)c1ccc(nc1O)Br AB84273 [0,1,0,0,0,0|2,0,0]=3 282 B11R1.166 CC(=O)c1ccc(nc1O)Cl AB72633 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.166 CC(=O)c1ccc(nc1O)N AB84276 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.166 CC(=O)c1cnc(nc1Cl)Cl AB51506 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.166 CC(=O)c1cnc(nc1N)Cl AB76990 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.166 CC(=O)c1cnc(nc1O)Cl AB76992 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.166 Cc1c(ccc(n1)Br)C(=O)O AB66864 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.166 Cc1c(ccc(n1)Br)[N+](=O)[O-] PB33662 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)C AB11952 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O AB53710 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.166 Cc1c(ccc(n1)F)C(=O)O AB21743 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.166 Cc1c(ccc(n1)N)C(=O)O AB49780 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.166 Cc1c(ccc(n1)N)[N+](=O)[O-] AB02246 [0,1,0,0,0,0|3,0,0]=4 294 B11R1.166 Cc1c(ccc(n1)O)C(=O)O AB54497 [0,1,0,0,0,0|2,0,0]=3 295 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] AB03294 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.166 Cc1c(cnc(n1)C)C(=O)O AB41920 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.166 Cc1c(cnc(n1)Cl)C(=O)C AB76995 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.166 Cc1c(cnc(n1)Cl)C(=O)O AB53772 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.166 Cc1c(ncc(n1)Br)C(=O)O AB85708 [0,1,0,0,0,0|1,0,0]=2 300 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)C AB85683 [0,1,0,0,0,0|0,0,0]=1 301 B11R1.166 Cc1c(ncc(n1)Cl)C(=O)O AB85679 [0,1,0,0,0,0|1,0,0]=2 302 B11R1.166 Cc1cc(c(nc1)C(=O)C)C AB50219 [0,1,0,0,0,0|1,0,0]=2 303 B11R1.166 Cc1cc(c(nc1)C(=O)C)Cl AB75090 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.166 Cc1cc(c(nc1)C(=O)C)F AB75164 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.166 Cc1cc(c(nc1)C(=O)C)N AB77150 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.166 Cc1cc(c(nc1)C(=O)C)O AB75244 [0,1,0,0,0,0|2,0,0]=3 307 B11R1.166 Cc1cc(c(nc1)C(=O)O)C AB53520 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.166 Cc1cc(c(nc1)C(=O)O)Cl AB74925 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.166 Cc1cc(c(nc1)C(=O)O)F PB30310 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.166 Cc1cc(c(nc1)C(=O)O)N AB66555 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.166 Cc1cc(ccc1C(=O)N)O MB23401 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.166 Cc1cc(cnc1C(=O)C)Cl AB75124 [0,1,0,0,0,0|1,0,0]=2 313 B11R1.166 Cc1cc(cnc1C(=O)C)F AB74622 [0,1,0,0,0,0|1,0,0]=2 314 B11R1.166 Cc1cc(cnc1C(=O)O)Br AB41227 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.166 Cc1cc(cnc1C(=O)O)Cl AB41233 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.166 Cc1cc(cnc1C(=O)O)F AB74795 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.166 Cc1cc(cnc1C(=O)O)N AB41220 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.166 Cc1cc(ncc1C(=O)C)C AB50221 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.166 Cc1cc(ncc1C(=O)C)Cl AB83349 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.166 Cc1cc(ncc1C(=O)C)F AB83065 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.166 Cc1ccc(c(n1)Br)C(=O)O AB68156 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.166 Cc1ccc(c(n1)C)C(=O)O AB27627 [0,1,0,0,0,0|2,0,0]=3 323 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)C AB64666 [0,1,0,0,0,0|2,0,0]=3 324 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O PB24611 [0,1,0,0,0,0|3,0,0]=4 325 B11R1.166 Cc1ccc(c(n1)N)C(=O)C AB83843 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.166 Cc1ccc(c(n1)N)C(=O)O PB33689 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.166 Cc1ccc(c(n1)O)C(=O)C AB84278 [0,1,0,0,0,0|2,0,0]=3 328 B11R1.166 Cc1cnc(c(n1)C)C(=O)O AB71826 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.166 Cc1cnc(c(n1)O)C(=O)O AB48562 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.166 Cc1nc(c(nn1)C(=O)O)O AB48555 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.166 Cc1ncc(c(n1)Cl)C(=O)C AB76965 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br AB25162 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl AB13812 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.166 c1c(cnc(c1Cl)C(=O)O)F AB66800 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.166 c1c(cnc(c1Cl)C(=O)O)N AB73535 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.166 c1c(cnc(c1F)C(=O)N)Br AB65704 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.166 c1c(cnc(c1F)C(=O)O)Br PB15891 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.166 c1c(cnc(c1F)C(=O)O)Cl AB66361 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.166 c1c(cnc(c1F)C(=O)O)N AB73541 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.166 c1c(cnc(c1N)C(=O)N)Br PB28226 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.166 c1c(cnc(c1N)C(=O)O)Br PB25268 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB13238 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.166 c1c(cnc(c1N)C(=O)O)Cl PB25748 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.166 c1c(cnc(c1N)C(=O)O)N AB83569 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.166 c1c(nc(c(n1)C(=O)N)Cl)Cl AB56020 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl PB29742 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.166 c1c(nc(c(n1)C(=O)O)N)Cl AB73168 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.166 c1cc(nc(c1C(=O)N)N)Cl AB65210 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.166 c1cc(nc(c1C(=O)O)Br)Br PB17862 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.166 c1cc(nc(c1C(=O)O)Br)Cl AB66786 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Br AB64863 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl PB10074 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.166 c1cc(nc(c1C(=O)O)Cl)N AB53397 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.166 c1cc(nc(c1C(=O)O)F)F AB43522 [0,1,0,0,0,0|3,0,0]=4 355 B11R1.166 c1cc(nc(c1C(=O)O)F)N AB76881 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.166 c1cc(nc(c1C(=O)O)N)Br AB69713 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.166 c1cc(nc(c1C(=O)O)N)Cl PB26608 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.166 c1cc(nc(c1C(=O)O)N)N AB67450 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.167 CC(=O)c1c(ccc(n1)Br)N AB77136 [0,1,0,0,0,0|2,0,0]=3 360 B11R1.167 CC(=O)c1c(ccc(n1)Br)O AB84298 [0,1,0,0,0,0|2,0,0]=3 361 B11R1.167 CC(=O)c1c(ccc(n1)Cl)F AB74842 [0,1,0,0,0,0|2,0,0]=3 362 B11R1.167 CC(=O)c1c(ccc(n1)Cl)N AB74616 [0,1,0,0,0,0|2,0,0]=3 363 B11R1.167 CC(=O)c1c(ccc(n1)Cl)O AB74862 [0,1,0,0,0,0|2,0,0]=3 364 B11R1.167 CC(=O)c1c(ccc(n1)F)N AB77157 [0,1,0,0,0,0|2,0,0]=3 365 B11R1.167 CC(=O)c1c(ccc(n1)N)O AB76567 [0,1,0,0,0,0|2,0,0]=3 366 B11R1.167 CC(=O)c1c(ncc(n1)Br)N AB72516 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.167 CC(=O)c1c(ncc(n1)Cl)Cl AB85729 [0,1,0,0,0,0|1,0,0]=2 368 B11R1.167 CC(=O)c1c(ncc(n1)Cl)N AB72517 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.167 CC(=O)c1cc(ccc1Cl)N AB08220 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.167 CC(=O)c1cc(ccc1F)Br AB64047 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.167 CC(=O)c1cc(ccc1N)Br MB07776 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.167 CC(=O)c1cc(ccc1O)Br AB04623 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.167 CC(=O)c1cc(cnc1Cl)Br PB27914 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.167 CC(=O)c1cc(cnc1Cl)F AB70474 [0,1,0,0,0,0|2,0,0]=3 375 B11R1.167 CC(=O)c1cc(cnc1F)Br AB65212 [0,1,0,0,0,0|2,0,0]=3 376 B11R1.167 CC(=O)c1cc(cnc1F)Cl AB71956 [0,1,0,0,0,0|2,0,0]=3 377 B11R1.167 CC(=O)c1cc(cnc1N)Br AB69719 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.167 CC(=O)c1cc(cnc1N)Cl AB69717 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.167 CC(=O)c1cc(cnc1N)N AB83829 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.167 CC(=O)c1cc(cnc1O)Br AB70678 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.167 CC(=O)c1cc(cnc1O)Cl AB72636 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.167 CC(=O)c1cc(cnc1O)N AB84258 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.167 CC(=O)c1cc(nnc1Cl)Cl AB76970 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.167 Cc1c(cc(cn1)Br)C(=O)O AB64295 [0,1,0,0,0,0|2,0,0]=3 385 B11R1.167 Cc1c(cc(cn1)Br)[N+](=O)[O-] PB18952 [0,1,0,0,0,0|3,0,0]=4 386 B11R1.167 Cc1c(cc(cn1)Cl)[N+](=O)[O-] PB11332 [0,1,0,0,0,0|3,0,0]=4 387 B11R1.167 Cc1c(cc(cn1)I)[N+](=O)[O-] PB23994 [0,1,0,0,0,0|3,0,0]=4 388 B11R1.167 Cc1cc(c(cn1)C)C(=O)C AB82531 [0,1,0,0,0,0|3,0,0]=4 389 B11R1.167 Cc1cc(c(nc1)Br)C(=O)C AB85212 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.167 Cc1cc(c(nc1)Br)C(=O)O AB71098 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.167 Cc1cc(c(nc1)C)C(=O)C AB82541 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.167 Cc1cc(c(nc1)C)C(=O)O AB74606 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)C AB70468 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O AB41816 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.167 Cc1cc(c(nc1)F)C(=O)C AB64670 [0,1,0,0,0,0|2,0,0]=3 396 B11R1.167 Cc1cc(c(nc1)F)C(=O)O AB64831 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.167 Cc1cc(c(nc1)N)C(=O)C AB75421 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.167 Cc1cc(c(nc1)N)C(=O)O AB41822 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.167 Cc1cc(c(nc1)O)C(=O)C AB84260 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.167 Cc1cc(c(nc1)O)C(=O)O CB11521 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.167 Cc1ccc(c(n1)C(=O)C)N AB42557 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.167 Cc1ccc(c(n1)C(=O)C)O AB75241 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.167 Cc1ccc(c(n1)C(=O)O)Br AB41940 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl AB68147 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.167 Cc1ccc(c(n1)C(=O)O)N AB66552 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.167 Cc1ccc(cc1C(=O)N)O MB23455 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.167 Cc1ccc(cc1C(=O)O)O CB11294 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.167 Cc1ccc(nc1C(=O)C)C AB74573 [0,1,0,0,0,0|1,0,0]=2 409 B11R1.167 Cc1ccc(nc1C(=O)C)Cl AB83230 [0,1,0,0,0,0|1,0,0]=2 410 B11R1.167 Cc1ccc(nc1C(=O)C)F AB82886 [0,1,0,0,0,0|1,0,0]=2 411 B11R1.167 Cc1ccc(nc1C(=O)O)C AB65474 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.167 Cc1ccc(nc1C(=O)O)Cl AB70776 [0,1,0,0,0,0|2,0,0]=3 413 B11R1.167 Cc1ccc(nc1C(=O)O)F AB70778 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.167 Cc1cnc(c(n1)C(=O)C)C AB02268 [0,1,0,0,0,0|0,0,0]=1 415 B11R1.167 Cc1cnc(cc1C(=O)C)Cl AB75136 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.167 Cc1cnc(cc1C(=O)C)F AB82867 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.167 c1c(cnc(c1C(=O)O)Br)Br PB10346 [0,1,0,0,0,0|3,0,0]=4 418 B11R1.167 c1c(cnc(c1C(=O)O)Br)F AB64987 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Br PB24830 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.167 c1c(cnc(c1C(=O)O)Cl)Cl AB10181 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.167 c1c(cnc(c1C(=O)O)Cl)F PB34056 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.167 c1c(cnc(c1C(=O)O)Cl)N PB10371 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.167 c1c(cnc(c1C(=O)O)F)Br PB12417 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.167 c1c(cnc(c1C(=O)O)F)Cl AB17585 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.167 c1c(cnc(c1C(=O)O)N)Br PB12952 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl AB53538 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.167 c1c(cnc(c1C(=O)O)N)F AB70295 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.167 c1c(cnc(c1C(=O)O)N)N AB76147 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.167 c1c(cnc(c1C(=O)O)O)Br PB32486 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.167 c1c(cnc(c1C(=O)O)O)Cl AB04751 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.167 c1c(cnc(c1C(=O)O)O)F AB20976 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.167 c1c(nc(c(n1)Cl)C(=O)O)Br AB73166 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.167 c1c(nc(c(n1)Cl)C(=O)O)Cl AB70505 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Br AB44798 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.167 c1c(nc(c(n1)N)C(=O)O)Cl AB60427 [0,1,0,0,0,0|2,0,0]=3 436 B11R1.167 c1c(nc(c(n1)O)C(=O)N)F PB25591 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.167 c1c(nc(c(n1)O)C(=O)O)Br AB72520 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.167 c1cc(nc(c1Br)C(=O)O)Br AB64851 [0,1,0,0,0,0|3,0,0]=4 439 B11R1.167 c1cc(nc(c1Br)C(=O)O)Cl AB49770 [0,1,0,0,0,0|3,0,0]=4 440 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Br AB66789 [0,1,0,0,0,0|3,0,0]=4 441 B11R1.167 c1cc(nc(c1Cl)C(=O)O)Cl AB03013 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.167 c1cc(nc(c1F)C(=O)O)Cl AB20963 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl PB16164 [0,1,0,0,0,0|3,0,0]=4 444 B11R1.167 c1cc(nc(c1N)C(=O)O)Br AB70529 [0,1,0,0,0,0|3,0,0]=4 445 B11R1.167 c1cc(nc(c1N)C(=O)O)Cl PB28002 [0,1,0,0,0,0|3,0,0]=4 446 B11R1.167 c1cc(nc(c1N)C(=O)O)N AB83550 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.222 CCC(=O)c1ccccc1F MB00205 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.222 CNC(=O)c1c(cccn1)O MB12020 [0,1,0,0,0,0|2,0,0]=3 449 B11R1.222 CNC(=O)c1ccccc1O MB00422 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.222 COC(=O)c1c(cccn1)Br PB13499 [0,1,0,0,0,0|2,0,0]=3 451 B11R1.222 COC(=O)c1c(cccn1)N AB48413 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.222 COC(=O)c1c(nccn1)Br PB16076 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.222 COC(=O)c1c(nccn1)Cl PB15729 [0,1,0,0,0,0|1,0,0]=2 454 B11R1.222 COC(=O)c1c(nccn1)O AB13230 [0,1,0,0,0,0|1,0,0]=2 455 B11R1.222 COC(=O)c1cccnc1Br AB31400 [0,1,0,0,0,0|2,0,0]=3 456 B11R1.222 COC(=O)c1cccnc1Cl PB12739 [0,1,0,0,0,0|2,0,0]=3 457 B11R1.222 COC(=O)c1cccnc1O AB44640 [0,1,0,0,0,0|2,0,0]=3 458 B11R1.222 COC(=O)c1cncnc1N AB70459 [0,1,0,0,0,0|3,0,0]=4 459 B11R1.222 Cc1c(nccn1)C(=O)OC AB48626 [0,1,0,0,0,0|0,0,0]=1 460 B11R1.222 Cc1ccccc1C(=O)OC AB00946 [0,1,0,0,0,0|2,0,0]=3 461 B11R1.222 Cc1cccnc1C(=O)OC AB16147 [0,1,0,0,0,0|1,0,0]=2 462 B11R1.222 Cc1cnccc1C(=O)OC PB29263 [0,1,0,0,0,0|3,0,0]=4 463 B11R1.222 c1cc(c(nc1)Cl)C(=O)CBr AB69728 [0,1,0,0,0,0|2,0,0]=3 464 B11R2.1 CC1=NN=C2=NC=CN=C12 PB26901 [0,0,0,1,0,0|2,0,1]=4 465 B11R2.1 CC1=c2cccnc2=NC1 PB29501 [0,0,0,1,0,0|3,0,0]=4 466 B11R2.1 c1cc2c(nc1)C(=O)OC2 AB66596 [0,0,0,1,0,0|2,0,0]=3 467 B11R2.1 c1cc2c(nc1)CCC2=O PB12461 [0,0,0,1,0,0|1,0,0]=2 468 B11R2.1 c1cc2c(nc1)CCC2N AB32640 [0,0,0,1,0,0|2,0,1]=4 469 B11R2.1 c1cc2c(nc1)OCC2=O AB70107 [0,0,0,1,0,0|2,0,0]=3 470 B11R2.1 c1ccc2c(c1)C(=O)CO2 AB02144 [0,0,0,1,0,0|3,0,0]=4 471 B11R2.1 c1ccc2c(c1)CNC2=O AB13096 [0,0,0,1,0,0|3,0,0]=4 472 B11R2.55 c1cnc(c(n1)C2CC2)Cl MB13972 [0,0,0,1,0,0|2,0,1]=4 473 B9R1.41 C1C=C(C(=N1)C(=O)O)N AB14781 [0,0,0,0,1,0|2,0,1]=4 474 B9R1.41 CC(=O)C1=NC=CC1N AB66021 [0,0,0,0,1,0|1,0,1]=3 475 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [0,0,0,0,1,0|2,0,0]=3 476 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [0,0,0,0,1,0|2,0,0]=3 477 B9R1.41 CC(=O)c1ccsc1Cl AB72529 [0,0,0,0,1,0|2,0,0]=3 478 B9R1.41 CC(=O)c1ccsc1N AB71423 [0,0,0,0,1,0|2,0,0]=3 479 B9R1.41 CC(=O)c1nccn1C PB12530 [0,0,0,0,1,0|1,0,0]=2 480 B9R1.41 CC1=C(C=NC1)C(=O)C AB03448 [0,0,0,0,1,0|2,0,0]=3 481 B9R1.41 CC1=NN=CC1C(=O)O AB06539 [0,0,0,0,1,0|2,0,1]=4 482 B9R1.41 CC1=NN=NC1C(=O)O AB76464 [0,0,0,0,1,0|2,0,1]=4 483 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,0,0,0,1,0|2,0,0]=3 484 B9R1.41 Cc1c(ncs1)C(=O)O AB27941 [0,0,0,0,1,0|2,0,0]=3 485 B9R1.41 Cc1c(ocn1)C(=O)O MB01897 [0,0,0,0,1,0|2,0,0]=3 486 B9R1.41 Cc1c(scn1)C(=O)Cl CB11506 [0,0,0,0,1,0|2,0,0]=3 487 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,0,0,0,1,0|2,0,0]=3 488 B9R1.41 Cc1ccsc1C(=O)O AB00421 [0,0,0,0,1,0|2,0,0]=3 489 B9R1.41 Cn1c(ccn1)C(=O)O PB26026 [0,0,0,0,1,0|2,0,0]=3 490 B9R1.41 Cn1c(cnn1)C(=O)O AB57108 [0,0,0,0,1,0|3,0,0]=4 491 B9R1.41 Cn1cccc1C(=O)O CB10008 [0,0,0,0,1,0|3,0,0]=4 492 B9R1.41 Cn1ccnc1C(=N)N PB34492 [0,0,0,0,1,0|3,0,0]=4 493 B9R1.41 Cn1ccnc1C(=O)O PB21787 [0,0,0,0,1,0|2,0,0]=3 494 B9R1.41 Cn1ccnc1C(=S)N AB21755 [0,0,0,0,1,0|2,1,0]=4 495 B9R1.41 Cn1cnnc1C(=O)O AB57420 [0,0,0,0,1,0|3,0,0]=4 496 B9R1.41 c1(c(nsn1)N)C(=O)O CB10423 [0,0,0,0,1,0|3,0,0]=4 497 B9R1.41 c1[nH]c(c(n1)C(=O)O)N AB54857 [0,0,0,0,1,0|2,0,1]=4 498 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,0,0,0,1,0|3,0,0]=4 499 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,0,0,0,1,0|3,0,0]=4 500 B9R1.41 c1csc(c1Br)C(=O)O PB25929 [0,0,0,0,1,0|3,0,0]=4 501 B9R1.41 c1csc(c1Cl)C(=O)O PB10064 [0,0,0,0,1,0|3,0,0]=4 502 B9R1.41 c1csc(c1N)C(=O)N AB02202 [0,0,0,0,1,0|3,0,0]=4 503 B9R1.41 c1csc(c1N)C(=O)O AB14784 [0,0,0,0,1,0|3,0,0]=4 504 B11R1.86 CC(=O)Nc1ccccc1O AB00212 [0,0,0,0,0,1|3,0,0]=4 505 B11R1.86 CC(=O)Nc1cccnc1Br MB03384 [0,0,0,0,0,1|2,0,0]=3 506 B11R1.86 CC(C)Oc1c(nccn1)Cl MB13976 [0,0,0,0,0,1|2,0,1]=4 507 B11R1.86 c1cc(c(nc1)CC(=O)O)Br PB17731 [0,0,0,0,0,1|3,0,0]=4 508 B11R1.86 c1cc(c(nc1)CC(=O)O)F AB55219 [0,0,0,0,0,1|3,0,0]=4 509 B11R1.86 c1cc(c(nc1)Cl)CC(=O)O PB10699 [0,0,0,0,0,1|3,0,0]=4 510 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl PB36328 [0,0,0,0,0,1|2,0,0]=3 511 B8R1.2 C#Cc1cnccn1 PB18058 [2,0,0,0,0,0|0,0,2]=4 512 B8R1.2 CNc1cccnc1 AB09114 [2,0,0,0,0,0|2,0,0]=4 513 B8R1.2 COc1cccnc1 AB06864 [2,0,0,0,0,0|2,0,0]=4 514 B8R1.2 c1c(cncn1)C=O PB32342 [2,0,0,0,0,0|2,0,0]=4 515 B8R1.2 c1cc(cnc1)C=O AB00744 [2,0,0,0,0,0|1,0,0]=3 516 B8R1.2 c1cc(nnc1)C=O PB20119 [2,0,0,0,0,0|2,0,0]=4 517 B8R1.2 c1ccnc(c1)C=O AB00680 [2,0,0,0,0,0|1,0,0]=3 518 B8R1.2 c1cnc(cn1)C#N AB02102 [2,0,0,0,0,0|1,0,1]=4 519 B8R1.2 c1cnc(cn1)C=O PB19982 [2,0,0,0,0,0|0,0,0]=2 520 B8R1.2 c1cnc(cn1)CCl PB20483 [2,0,0,0,0,0|1,0,1]=4 521 B8R1.2 c1cnc(cn1)CN PB14180 [2,0,0,0,0,0|1,0,1]=4 522 B8R1.2 c1cnc(cn1)CO PB21779 [2,0,0,0,0,0|0,0,2]=4 523 B8R1.2 c1cnc(cn1)NN PB12798 [2,0,0,0,0,0|2,0,0]=4 524 B8R1.2 c1cnc(nc1)C=O PB34235 [2,0,0,0,0,0|2,0,0]=4 525 B8R1.2 c1cncnc1C=O AB16150 [2,0,0,0,0,0|2,0,0]=4 526 B8R1.2 c1cnncc1C=O PB17346 [2,0,0,0,0,0|2,0,0]=4 527 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [2,0,0,0,0,0|1,0,1]=4 528 B8R1.5 Cc1c(cccn1)Br PB27472 [2,0,0,0,0,0|2,0,0]=4 529 B8R1.5 Cc1c(cccn1)Cl AB17903 [2,0,0,0,0,0|2,0,0]=4 530 B8R1.5 Cc1c(cccn1)F AB48604 [2,0,0,0,0,0|2,0,0]=4 531 B8R1.5 Cc1c(cccn1)N PB33695 [2,0,0,0,0,0|2,0,0]=4 532 B8R1.5 Cc1c(cccn1)O PB18442 [2,0,0,0,0,0|1,0,1]=4 533 B8R1.5 Cc1c(nccn1)Br PB10597 [2,0,0,0,0,0|1,0,0]=3 534 B8R1.5 Cc1c(nccn1)Cl PB18413 [2,0,0,0,0,0|1,0,0]=3 535 B8R1.5 Cc1c(nccn1)I PB26409 [2,0,0,0,0,0|1,0,0]=3 536 B8R1.5 Cc1c(nccn1)N PB32667 [2,0,0,0,0,0|1,0,0]=3 537 B8R1.5 Cc1c(nccn1)O PB12942 [2,0,0,0,0,0|0,0,1]=3 538 B8R1.5 Cc1cccnc1Br AB05448 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.5 Cc1cccnc1Cl AB05179 [2,0,0,0,0,0|2,0,0]=4 540 B8R1.5 Cc1cccnc1N AB17908 [2,0,0,0,0,0|2,0,0]=4 541 B8R1.5 Cc1cccnc1O AB03538 [2,0,0,0,0,0|1,0,1]=4 542 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [2,0,0,0,0,0|2,0,0]=4 543 B8R1.5 c1cnc(c(n1)N)Br MB08183 [2,0,0,0,0,0|2,0,0]=4 544 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [2,0,0,0,0,0|2,0,0]=4 545 B8R1.5 c1cnc(c(n1)N)N PB10452 [2,0,0,0,0,0|2,0,0]=4 546 B10R1.13 CC(=O)c1ccc(cn1)Br AB21518 [1,1,0,0,0,0|1,0,0]=3 547 B10R1.13 CC(=O)c1ccc(cn1)Cl AB41101 [1,1,0,0,0,0|1,0,0]=3 548 B10R1.13 CC(=O)c1ccc(cn1)F AB62503 [1,1,0,0,0,0|1,0,0]=3 549 B10R1.13 CC(=O)c1ccc(cn1)N AB60315 [1,1,0,0,0,0|1,0,0]=3 550 B10R1.13 CC(=O)c1ccc(cn1)O AB60308 [1,1,0,0,0,0|1,0,0]=3 551 B10R1.13 CC(=O)c1ccc(nc1)Br AB21520 [1,1,0,0,0,0|1,0,0]=3 552 B10R1.13 CC(=O)c1ccc(nc1)Cl AB14033 [1,1,0,0,0,0|1,0,0]=3 553 B10R1.13 CC(=O)c1ccc(nc1)F AB41115 [1,1,0,0,0,0|1,0,0]=3 554 B10R1.13 CC(=O)c1ccc(nc1)N AB49552 [1,1,0,0,0,0|1,0,0]=3 555 B10R1.13 CC(=O)c1ccc(nc1)O AB60297 [1,1,0,0,0,0|1,0,0]=3 556 B10R1.13 CC(=O)c1ccc(nn1)Cl PB20488 [1,1,0,0,0,0|2,0,0]=4 557 B10R1.13 CC(=O)c1cnc(cn1)Cl AB65450 [1,1,0,0,0,0|0,0,0]=2 558 B10R1.13 CC(=O)c1cnc(nc1)Cl AB59098 [1,1,0,0,0,0|2,0,0]=4 559 B10R1.13 CC(=O)c1ncc(cn1)Br PB34979 [1,1,0,0,0,0|2,0,0]=4 560 B10R1.13 CC(=O)c1ncc(cn1)F PB24344 [1,1,0,0,0,0|2,0,0]=4 561 B10R1.13 CC(C)c1cnc(cn1)Br AB64004 [1,1,0,0,0,0|1,0,1]=4 562 B10R1.13 CC(C)c1cnc(cn1)Cl AB70173 [1,1,0,0,0,0|1,0,1]=4 563 B10R1.13 CN(C)c1cnc(cn1)Br AB54253 [1,1,0,0,0,0|2,0,0]=4 564 B10R1.13 Cc1ccc(cn1)C(=O)C AB03568 [1,1,0,0,0,0|1,0,0]=3 565 B10R1.13 Cc1ccc(cn1)C(=O)Cl AB44670 [1,1,0,0,0,0|2,0,0]=4 566 B10R1.13 Cc1ccc(cn1)C(=O)O AB00723 [1,1,0,0,0,0|2,0,0]=4 567 B10R1.13 Cc1ccc(nc1)C(=O)C AB25779 [1,1,0,0,0,0|1,0,0]=3 568 B10R1.13 Cc1ccc(nc1)C(=O)O AB09798 [1,1,0,0,0,0|2,0,0]=4 569 B10R1.13 Cc1ccc(nn1)C(=O)C AB75459 [1,1,0,0,0,0|2,0,0]=4 570 B10R1.13 Cc1cnc(cn1)C(=O)C AB02269 [1,1,0,0,0,0|0,0,0]=2 571 B10R1.13 Cc1cnc(cn1)C(=O)N CB10282 [1,1,0,0,0,0|1,0,0]=3 572 B10R1.13 Cc1cnc(cn1)C(=O)O PB12995 [1,1,0,0,0,0|1,0,0]=3 573 B10R1.13 c1c(ncc(n1)Br)C(=O)N MB14265 [1,1,0,0,0,0|1,0,0]=3 574 B10R1.13 c1c(ncc(n1)Br)C(=O)O AB54768 [1,1,0,0,0,0|1,0,0]=3 575 B10R1.13 c1c(ncc(n1)Cl)C(=O)O PB34349 [1,1,0,0,0,0|1,0,0]=3 576 B10R1.13 c1c(ncc(n1)N)C(=O)O PB32499 [1,1,0,0,0,0|1,0,0]=3 577 B10R1.13 c1c(ncc(n1)O)C(=O)O PB32161 [1,1,0,0,0,0|1,0,0]=3 578 B10R1.13 c1cc(ncc1Br)C(=O)O PB32197 [1,1,0,0,0,0|2,0,0]=4 579 B10R1.13 c1cc(ncc1Br)C(=O)[O-] AB42654 [1,1,0,0,0,0|2,0,0]=4 580 B10R1.13 c1cc(ncc1C(=O)Cl)F AB42627 [1,1,0,0,0,0|2,0,0]=4 581 B10R1.13 c1cc(ncc1C(=O)N)Br MB01098 [1,1,0,0,0,0|2,0,0]=4 582 B10R1.13 c1cc(ncc1C(=O)O)Br PB18554 [1,1,0,0,0,0|2,0,0]=4 583 B10R1.13 c1cc(ncc1C(=O)O)Cl AB00659 [1,1,0,0,0,0|2,0,0]=4 584 B10R1.13 c1cc(ncc1C(=O)O)F AB09999 [1,1,0,0,0,0|2,0,0]=4 585 B10R1.13 c1cc(ncc1C(=O)O)N AB17940 [1,1,0,0,0,0|2,0,0]=4 586 B10R1.13 c1cc(ncc1C(=O)O)N PB21621 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.13 c1cc(ncc1C(=O)O)O PB17040 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.13 c1cc(ncc1Cl)C(=O)O AB17962 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.13 c1cc(ncc1F)C(=O)O AB17969 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.13 c1cc(ncc1N)C(=O)O AB12645 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.13 c1cc(ncc1O)C(=O)N MB11444 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.13 c1cc(ncc1O)C(=O)O PB26027 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.15 CCC(=O)c1ccccn1 AB01373 [1,1,0,0,0,0|1,0,0]=3 594 B10R1.15 CCC(=O)c1cnccn1 PB23991 [1,1,0,0,0,0|0,0,0]=2 595 B10R1.15 CCC(c1cnccn1)N PB31632 [1,1,0,0,0,0|1,0,1]=4 596 B10R1.15 CNC(=O)c1cnccn1 AB70331 [1,1,0,0,0,0|0,0,0]=2 597 B10R1.15 COC(=N)c1cnccn1 AB61004 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.15 COC(=O)c1cccnn1 PB28168 [1,1,0,0,0,0|2,0,0]=4 599 B10R1.15 COC(=O)c1ccncn1 PB15680 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.15 COC(=O)c1ccnnc1 PB31452 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.15 COC(=O)c1cncnc1 PB15822 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.15 COC(=O)c1ncccn1 PB20045 [1,1,0,0,0,0|2,0,0]=4 603 B10R1.15 c1cc(cnc1)C(=O)C=O AB62325 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.15 c1cc(cnc1)C(=O)CBr AB02174 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.15 c1cc(cnc1)C(=O)CBr AB44461 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.15 c1cc(cnc1)C(=O)CCl MB06839 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.15 c1ccnc(c1)C(=O)C=O AB62330 [1,1,0,0,0,0|1,0,1]=4 608 B10R1.15 c1ccnc(c1)C(=O)CBr AB23665 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.15 c1cnc(cn1)C(=O)NN AB07083 [1,1,0,0,0,0|1,0,0]=3 610 B10R1.28 c1cnc(cn1)S(=O)(=O)Cl AB60547 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.113 C1C(=O)N=C(C=N1)C(=O)O AB60468 [1,1,0,0,0,0|1,0,1]=4 612 B10R1.113 CC(=O)c1cc(ccn1)Br AB67963 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.113 CC(=O)c1cc(ccn1)Cl AB60198 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.113 CC(=O)c1cc(ccn1)F AB68049 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.113 CC(=O)c1cc(ccn1)O AB69730 [1,1,0,0,0,0|1,0,0]=3 616 B10R1.113 CC(=O)c1cc(cnc1)Br PB20794 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.113 CC(=O)c1cc(cnc1)F AB41114 [1,1,0,0,0,0|1,0,0]=3 618 B10R1.113 CC(=O)c1cc(cnc1)N AB30920 [1,1,0,0,0,0|1,0,0]=3 619 B10R1.113 CC(=O)c1cc(ncn1)Cl AB75829 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.113 CC(=O)c1cc(nnc1)Cl AB76969 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.113 CC(=O)c1cccc(n1)Br AB05570 [1,1,0,0,0,0|1,0,0]=3 622 B10R1.113 CC(=O)c1cccc(n1)Cl AB41100 [1,1,0,0,0,0|1,0,0]=3 623 B10R1.113 CC(=O)c1cccc(n1)F AB50226 [1,1,0,0,0,0|1,0,0]=3 624 B10R1.113 CC(=O)c1cccc(n1)N AB67452 [1,1,0,0,0,0|1,0,0]=3 625 B10R1.113 CC(=O)c1ccnc(n1)Cl AB76950 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.113 CC(=O)c1ccnc(n1)N PB23634 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.113 CN(C)c1cncc(n1)Cl AB65245 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.113 Cc1cc(cnc1)C(=O)O PB12710 [1,1,0,0,0,0|2,0,0]=4 629 B10R1.113 Cc1cc(ncn1)C(=O)C AB50216 [1,1,0,0,0,0|2,0,0]=4 630 B10R1.113 Cc1cccc(n1)C(=O)C AB25782 [1,1,0,0,0,0|1,0,0]=3 631 B10R1.113 Cc1cccc(n1)C(=O)O AB01368 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.113 Cc1ccnc(c1)C(=O)C AB10395 [1,1,0,0,0,0|1,0,0]=3 633 B10R1.113 Cc1ccnc(c1)C(=O)O AB15851 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.113 Cc1cncc(n1)C(=O)O AB48615 [1,1,0,0,0,0|1,0,0]=3 635 B10R1.113 Cc1nccc(n1)C(=O)C AB04788 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.113 c1c(cncc1Cl)C(=O)O PB25983 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.113 c1c(cncc1F)C(=O)O PB23226 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.113 c1c(cncc1N)C(=O)O PB13029 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.113 c1c(cncc1O)C(=O)N MB01725 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.113 c1c(cncc1O)C(=O)O PB33816 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.113 c1c(nc(cn1)Br)C(=O)N MB14307 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.113 c1c(nc(cn1)Br)C(=O)O AB69955 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.113 c1c(nc(cn1)Cl)C(=O)O PB21720 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.113 c1c(nc(cn1)Cl)[N+](=O)[O-] AB60515 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.113 c1c(nc(cn1)N)C(=O)O AB60537 [1,1,0,0,0,0|1,0,0]=3 646 B10R1.113 c1cc(nc(c1)Br)C(=O)N MB00999 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.113 c1cc(nc(c1)Br)C(=O)O AB03328 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.113 c1cc(nc(c1)Cl)C(=O)O AB04138 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.113 c1cc(nc(c1)F)C(=O)O AB11487 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.113 c1cc(nc(c1)I)C(=O)N AB42518 [1,1,0,0,0,0|2,0,0]=4 651 B10R1.113 c1cc(nc(c1)I)C(=O)O AB42497 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.113 c1cc(nc(c1)N)C(=O)O PB23179 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.113 c1cnc(cc1Br)C(=O)O PB21234 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.113 c1cnc(cc1Cl)C(=O)N AB08235 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.113 c1cnc(cc1Cl)C(=O)O AB04585 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.113 c1cnc(cc1F)C(=O)O AB40659 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.113 c1cnc(cc1I)C(=O)O AB28008 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.113 c1cnc(cc1I)C(=O)O PB20818 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.113 c1cnc(cc1N)C(=O)N AB43415 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.113 c1cnc(cc1N)C(=O)O PB23313 [1,1,0,0,0,0|2,0,0]=4 661 B10R1.113 c1cnc(cc1O)C(=O)N MB05243 [1,1,0,0,0,0|2,0,0]=4 662 B10R1.113 c1cnc(cc1O)C(=O)O AB06407 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.2 Cc1c(cccc1O)C=O MB08410 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.2 Cc1c(ccnc1C=O)Br AB40731 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.2 Cc1c(ccnc1C=O)Cl AB40720 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.2 Cc1c(ccnc1C=O)F AB82923 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.2 Cc1ccnc(c1C)C=O AB66597 [1,1,0,0,0,0|1,0,0]=3 668 B10R1.2 Cc1ccnc(c1Cl)C=O AB44896 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.2 Cc1ccnc(c1N)C=O AB83759 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.2 Cc1ccnc(c1O)C=O AB75246 [1,1,0,0,0,0|2,0,0]=4 671 B10R1.2 c1cnc(c(c1Br)N)C=O AB83752 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.2 c1cnc(c(c1Br)O)C=O AB84603 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.2 c1cnc(c(c1Cl)F)C=O AB70766 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.2 c1cnc(c(c1Cl)N)C=O AB83753 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.2 c1cnc(c(c1Cl)O)C=O AB75013 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.2 c1cnc(c(c1F)Cl)C=O AB83001 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.2 c1cnc(c(c1N)Cl)C=O AB83926 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.2 c1cnc(c(c1N)O)C=O AB84604 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.2 c1cnc(c(c1O)Cl)C=O AB75006 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.4 Cc1c(cccn1)CCN AB66943 [1,1,0,0,0,0|1,0,1]=4 681 B10R1.4 Cc1c(cccn1)CNC AB66889 [1,1,0,0,0,0|1,0,1]=4 682 B10R1.4 Cc1ccccc1CC=O AB11813 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.4 Cc1cccnc1CCN AB31462 [1,1,0,0,0,0|1,0,1]=4 684 B10R1.20 COc1c(cccn1)C=O PB26137 [1,1,0,0,0,0|1,0,0]=3 685 B10R1.20 COc1c(cccn1)CCl AB54482 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.20 COc1c(cccn1)CN PB10680 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.20 COc1c(cccn1)CN PB15194 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.20 COc1c(cccn1)CO PB20446 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.20 COc1c(nccn1)C#N AB22503 [1,1,0,0,0,0|1,0,1]=4 690 B10R1.20 COc1c(nccn1)C=O AB55611 [1,1,0,0,0,0|0,0,0]=2 691 B10R1.20 COc1c(nncn1)CN PB39100 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.20 COc1ccccc1C=O AB00311 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.20 COc1cccnc1C=O AB22246 [1,1,0,0,0,0|1,0,0]=3 694 B10R1.20 COc1cccnc1CCl AB60052 [1,1,0,0,0,0|2,0,0]=4 695 B10R1.20 COc1cccnc1CN AB40619 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.20 COc1cccnc1CO MB05449 [1,1,0,0,0,0|2,0,0]=4 697 B10R1.20 COc1cccnc1OC AB13430 [1,1,0,0,0,0|2,0,0]=4 698 B10R1.20 CSc1c(cccn1)C=O MB07044 [1,1,0,0,0,0|1,0,0]=3 699 B10R1.20 CSc1c(cccn1)CO MB07043 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.20 c1cc(c(nc1)C#N)C=O AB31409 [1,1,0,0,0,0|1,0,1]=4 701 B10R1.20 c1cc(c(nc1)C=O)C#N AB54498 [1,1,0,0,0,0|1,0,1]=4 702 B10R1.20 c1cc(c(nc1)CCl)C=O AB69680 [1,1,0,0,0,0|1,0,0]=3 703 B10R1.20 c1cc(c(nc1)CN)C=O AB31410 [1,1,0,0,0,0|1,0,0]=3 704 B10R1.25 C(=O)c1c(nc(nn1)Cl)Cl AB72411 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.25 Cc1c(ccc(n1)Br)C=O AB66856 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.25 Cc1c(ccc(n1)Cl)C=O AB32133 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.25 Cc1c(ccc(n1)Cl)OC AB63867 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.25 Cc1c(ccc(n1)N)OC AB53570 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.25 Cc1c(ccc(n1)O)OC AB63862 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.25 Cc1c(ncc(n1)Br)C#N AB72506 [1,1,0,0,0,0|1,0,1]=4 711 B10R1.25 Cc1c(ncc(n1)Br)C=O AB85714 [1,1,0,0,0,0|0,0,0]=2 712 B10R1.25 Cc1c(ncc(n1)Br)OC AB85717 [1,1,0,0,0,0|1,0,0]=3 713 B10R1.25 Cc1c(ncc(n1)Cl)C#N AB72505 [1,1,0,0,0,0|1,0,1]=4 714 B10R1.25 Cc1c(ncc(n1)Cl)C=O AB85687 [1,1,0,0,0,0|0,0,0]=2 715 B10R1.25 Cc1c(ncc(n1)Cl)CCl AB76483 [1,1,0,0,0,0|1,0,1]=4 716 B10R1.25 Cc1c(ncc(n1)Cl)CN AB85686 [1,1,0,0,0,0|1,0,1]=4 717 B10R1.25 Cc1cc(c(nc1)C=O)C AB53525 [1,1,0,0,0,0|1,0,0]=3 718 B10R1.25 Cc1cc(c(nc1)C=O)Cl AB75087 [1,1,0,0,0,0|2,0,0]=4 719 B10R1.25 Cc1cc(c(nc1)C=O)F AB75163 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.25 Cc1cc(c(nc1)C=O)N AB83746 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.25 Cc1cc(c(nc1)C=O)O AB75242 [1,1,0,0,0,0|2,0,0]=4 722 B10R1.25 Cc1cc(cnc1C=O)Br AB42359 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.25 Cc1cc(cnc1C=O)Cl AB75118 [1,1,0,0,0,0|1,0,0]=3 724 B10R1.25 Cc1cc(cnc1C=O)F AB74798 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.25 Cc1cc(cnc1OC)Br AB41223 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.25 Cc1cc(cnc1OC)Cl AB75754 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.25 Cc1cc(cnc1OC)N AB20996 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.25 Cc1ccc(c(n1)Br)C=O AB55809 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.25 Cc1ccc(c(n1)C)C=O AB13970 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.25 Cc1ccc(c(n1)Cl)C=O AB32135 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.25 Cc1ccc(c(n1)N)C=O AB27631 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.25 Cc1ccc(c(n1)O)C=O AB42321 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.25 Cc1cnc(c(n1)C)C=O AB73104 [1,1,0,0,0,0|0,0,0]=2 734 B10R1.25 Cc1cnc(c(n1)C)CN AB73102 [1,1,0,0,0,0|1,0,1]=4 735 B10R1.25 c1c(cnc(c1Br)C=O)Br AB48580 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.25 c1c(cnc(c1Cl)C=O)F AB70954 [1,1,0,0,0,0|2,0,0]=4 737 B10R1.25 c1c(cnc(c1F)C=O)Br PB11091 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.25 c1c(cnc(c1F)C=O)Cl AB70957 [1,1,0,0,0,0|2,0,0]=4 739 B10R1.25 c1c(cnc(c1N)C=O)Br AB83734 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.25 c1c(cnc(c1N)C=O)Cl AB83735 [1,1,0,0,0,0|2,0,0]=4 741 B10R1.25 c1c(cnc(c1N)C=O)N AB83749 [1,1,0,0,0,0|2,0,0]=4 742 B10R1.25 c1c(cnc(c1O)C=O)Br AB70969 [1,1,0,0,0,0|2,0,0]=4 743 B10R1.25 c1c(cnc(c1O)C=O)Cl AB75009 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.25 c1c(cnc(c1O)C=O)N AB84581 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.25 c1c(nc(c(n1)C=O)Cl)Cl PB10747 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.25 c1c(nc(c(n1)C=O)N)Br AB72512 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.25 c1c(nc(c(n1)C=O)N)Cl AB72515 [1,1,0,0,0,0|1,0,0]=3 748 B10R1.25 c1cc(nc(c1C=O)Br)Br PB20462 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.25 c1cc(nc(c1C=O)Br)Cl AB64562 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.25 c1cc(nc(c1C=O)Cl)Cl PB17413 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.25 c1cc(nc(c1C=O)F)Br AB70853 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.25 c1cc(nc(c1C=O)N)Br AB69709 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.25 c1cc(nc(c1C=O)N)Cl AB69707 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.25 c1cc(nc(c1C=O)N)N AB76145 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.25 c1cc(nc(c1C=O)O)Br AB84532 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.25 c1cc(nc(c1C=O)O)Cl AB84535 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.25 c1cc(nc(c1C=O)O)N AB84539 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.30 COc1c(ncc(n1)Br)Br AB54782 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.30 COc1c(ncc(n1)Br)Cl AB72501 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.30 COc1c(ncc(n1)Br)N AB44806 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.30 COc1c(ncc(n1)Cl)N AB64255 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.30 Cc1c(cc(cn1)Cl)C=O AB62434 [1,1,0,0,0,0|1,0,0]=3 763 B10R1.30 Cc1cc(c(nc1)Br)C=O AB71097 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.30 Cc1cc(c(nc1)C)C=O AB71657 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.30 Cc1cc(c(nc1)Cl)C=O AB41813 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.30 Cc1cc(c(nc1)F)C=O AB65261 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.30 Cc1cc(c(nc1)N)C=O AB51533 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.30 Cc1cc(c(nc1)O)C=O AB71365 [1,1,0,0,0,0|2,0,0]=4 769 B10R1.30 Cc1ccc(c(n1)C=O)Br AB68163 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.30 Cc1ccc(c(n1)C=O)Cl AB68143 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.30 Cc1ccc(c(n1)C=O)N AB76244 [1,1,0,0,0,0|2,0,0]=4 772 B10R1.30 Cc1ccc(c(n1)C=O)O AB62933 [1,1,0,0,0,0|2,0,0]=4 773 B10R1.30 Cc1ccc(cc1C=O)Cl AB63586 [1,1,0,0,0,0|2,0,0]=4 774 B10R1.30 Cc1ccc(cc1C=O)O MB23457 [1,1,0,0,0,0|2,0,0]=4 775 B10R1.30 Cc1ccc(nc1C=O)C AB75403 [1,1,0,0,0,0|1,0,0]=3 776 B10R1.30 Cc1ccc(nc1C=O)Cl AB75110 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.30 Cc1ccc(nc1C=O)F AB75170 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.30 Cc1cnc(c(n1)C=O)C AB77040 [1,1,0,0,0,0|0,0,0]=2 779 B10R1.30 Cc1cnc(c(n1)CCl)C AB76280 [1,1,0,0,0,0|1,0,1]=4 780 B10R1.30 Cc1cnc(c(n1)CN)C AB77043 [1,1,0,0,0,0|1,0,1]=4 781 B10R1.30 c1c(cnc(c1C=O)Br)F AB70943 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.30 c1c(cnc(c1C=O)Cl)Br PB20287 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.30 c1c(cnc(c1C=O)Cl)F AB13605 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.30 c1c(cnc(c1C=O)F)Br PB29718 [1,1,0,0,0,0|2,0,0]=4 785 B10R1.30 c1c(cnc(c1C=O)F)Cl AB20969 [1,1,0,0,0,0|2,0,0]=4 786 B10R1.30 c1c(cnc(c1C=O)N)Br AB50973 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.30 c1c(cnc(c1C=O)N)Cl AB58421 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.30 c1c(cnc(c1C=O)N)F AB70294 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.30 c1c(cnc(c1C=O)O)Br AB70946 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.30 c1c(cnc(c1C=O)O)Cl AB70935 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.30 c1c(cnc(c1C=O)O)N AB84511 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.30 c1c(nc(c(n1)Cl)C=O)Cl AB85727 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.30 c1c(nc(c(n1)N)C=O)Br AB69711 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.30 c1c(nc(c(n1)N)C=O)Cl AB60422 [1,1,0,0,0,0|1,0,0]=3 795 B10R1.30 c1cc(nc(c1Br)C=O)Cl AB68225 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.30 c1cc(nc(c1Cl)C=O)Br AB68236 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.30 c1cc(nc(c1Cl)C=O)Cl AB66502 [1,1,0,0,0,0|2,0,0]=4 798 B10R1.30 c1cc(nc(c1F)C=O)Br PB23527 [1,1,0,0,0,0|2,0,0]=4 799 B10R1.30 c1cc(nc(c1F)C=O)Cl AB20968 [1,1,0,0,0,0|2,0,0]=4 800 B10R1.30 c1cc(nc(c1N)C=O)Br AB83719 [1,1,0,0,0,0|2,0,0]=4 801 B10R1.30 c1cc(nc(c1N)C=O)Cl AB76329 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.30 c1cc(nc(c1N)C=O)N AB83733 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.30 c1cc(nc(c1O)C=O)Br AB84561 [1,1,0,0,0,0|2,0,0]=4 804 B10R1.30 c1cc(nc(c1O)C=O)Cl AB74851 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.30 c1cc(nc(c1O)C=O)N AB84562 [1,1,0,0,0,0|2,0,0]=4 806 B10R1.245 Cc1c(c(ccn1)Br)C=O AB66858 [1,1,0,0,0,0|1,0,0]=3 807 B10R1.245 Cc1c(c(ccn1)Cl)C=O AB66851 [1,1,0,0,0,0|1,0,0]=3 808 B10R1.245 Cc1c(c(ccn1)Cl)OC PB19448 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.245 Cc1c(c(ccn1)F)C=O AB68033 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.245 Cc1c(c(ccn1)N)C=O AB68110 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.245 Cc1c(c(ccn1)O)C=O AB84477 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.245 Cc1cccc(c1C=O)O MB14829 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.245 Cc1ccnc(c1C=O)C AB63129 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.245 Cc1ccnc(c1C=O)Cl AB44897 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.245 Cc1ccnc(c1C=O)F AB44902 [1,1,0,0,0,0|2,0,0]=4 816 B10R1.245 Cc1ccnc(c1C=O)N AB70910 [1,1,0,0,0,0|2,0,0]=4 817 B10R1.245 Cc1ccnc(c1C=O)O AB71364 [1,1,0,0,0,0|2,0,0]=4 818 B10R1.245 c1cnc(c(c1Br)C=O)Cl AB62918 [1,1,0,0,0,0|2,0,0]=4 819 B10R1.245 c1cnc(c(c1Br)C=O)N AB83695 [1,1,0,0,0,0|2,0,0]=4 820 B10R1.245 c1cnc(c(c1Br)C=O)O AB84479 [1,1,0,0,0,0|2,0,0]=4 821 B10R1.245 c1cnc(c(c1Cl)C=O)Cl AB41952 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.245 c1cnc(c(c1Cl)C=O)F AB70637 [1,1,0,0,0,0|2,0,0]=4 823 B10R1.245 c1cnc(c(c1Cl)C=O)N PB22850 [1,1,0,0,0,0|2,0,0]=4 824 B10R1.245 c1cnc(c(c1Cl)C=O)O AB84482 [1,1,0,0,0,0|2,0,0]=4 825 B10R1.245 c1cnc(c(c1F)C=O)Cl AB68028 [1,1,0,0,0,0|2,0,0]=4 826 B10R1.245 c1cnc(c(c1I)C=O)Cl MB02652 [1,1,0,0,0,0|2,0,0]=4 827 B10R1.245 c1cnc(c(c1N)C=O)Br AB83694 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.245 c1cnc(c(c1N)C=O)Cl AB52768 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.245 c1cnc(c(c1N)C=O)O AB84486 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.245 c1cnc(c(c1O)C=O)Br AB84458 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.245 c1cnc(c(c1O)C=O)Cl AB66422 [1,1,0,0,0,0|2,0,0]=4 832 B10R1.245 c1cnc(c(c1O)C=O)N AB84460 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.39 CCn1c(cnn1)C(=O)C AB84662 [0,1,0,0,1,0|2,0,0]=4 834 B10R1.59 CC1=C(N=C(C1)C)C(=O)O AB12161 [0,1,0,0,1,0|1,0,1]=4 835 B10R1.59 Cc1c(cc(s1)Cl)C(=O)N AB65699 [0,1,0,0,1,0|2,0,0]=4 836 B10R1.59 Cc1c(cn(n1)C)C(=O)C AB06270 [0,1,0,0,1,0|1,0,0]=3 837 B10R1.59 Cc1c(cn(n1)C)C(=O)O AB06177 [0,1,0,0,1,0|2,0,0]=4 838 B10R1.59 Cc1cc(c(o1)C)C(=O)O AB03078 [0,1,0,0,1,0|2,0,0]=4 839 B10R1.59 Cc1cc(n(n1)C)C(=O)C AB20875 [0,1,0,0,1,0|1,0,0]=3 840 B10R1.59 Cc1cc(n(n1)C)C(=O)O PB14132 [0,1,0,0,1,0|2,0,0]=4 841 B10R1.59 Cc1cc(sc1C(=O)O)Br CB11471 [0,1,0,0,1,0|2,0,0]=4 842 B10R1.59 Cn1c(cc(n1)Cl)C(=O)O PB35003 [0,1,0,0,1,0|2,0,0]=4 843 B10R1.149 CC1=C(C=NC1)C(=O)OC AB56145 [0,1,0,0,1,0|2,0,0]=4 844 B10R1.149 CC1=C(N=CC1)C(=O)OC PB28024 [0,1,0,0,1,0|0,0,1]=3 845 B10R1.149 CC1=NC=NC1C(=O)OC AB66528 [0,1,0,0,1,0|0,0,1]=3 846 B10R1.149 COC(=O)C1=C(N=CC1)N AB55415 [0,1,0,0,1,0|1,0,1]=4 847 B10R1.149 COC(=O)C1=NC=CC1Br PB38397 [0,1,0,0,1,0|1,0,1]=4 848 B10R1.149 COC(=O)C1=NC=CC1Cl PB31974 [0,1,0,0,1,0|1,0,1]=4 849 B10R1.149 COC(=O)C1=NC=NC1N AB66095 [0,1,0,0,1,0|1,0,1]=4 850 B10R1.149 COC(=O)c1c(cco1)N PB25248 [0,1,0,0,1,0|2,0,0]=4 851 B10R1.149 COC(=O)c1c(ccs1)Br PB25989 [0,1,0,0,1,0|2,0,0]=4 852 B10R1.149 COC(=O)c1c(ccs1)Cl PB32116 [0,1,0,0,1,0|2,0,0]=4 853 B10R1.149 COC(=O)c1c(ccs1)F CB11867 [0,1,0,0,1,0|2,0,0]=4 854 B10R1.149 COC(=O)c1c(ncs1)N AB49408 [0,1,0,0,1,0|2,0,0]=4 855 B10R1.149 COC(=O)c1ccsc1N PB30611 [0,1,0,0,1,0|2,0,0]=4 856 B10R1.149 Cn1cccc1C(=O)OC CB10178 [0,1,0,0,1,0|2,0,0]=4 857 B10R1.149 Cn1ccnc1C(=O)OC PB27571 [0,1,0,0,1,0|1,0,0]=3 858 B10R1.149 c1[nH]c(c(n1)C(=O)CN)N PB31925 [0,1,0,0,1,0|1,0,1]=4 859 B10R1.192 CC1=NC=C(C1C(=O)C)N AB65787 [0,1,0,0,1,0|0,0,1]=3 860 B10R1.192 Cc1c(c(on1)C)C(=O)O AB02135 [0,1,0,0,1,0|2,0,0]=4 861 B10R1.194 CC1=C(C(=NC1)C(=O)O)C PB17071 [0,1,0,0,1,0|1,0,1]=4 862 B10R1.194 Cc1c(csc1C(=O)Cl)Br AB13922 [0,1,0,0,1,0|2,0,0]=4 863 B10R1.194 Cc1c(csc1C(=O)N)Br AB65689 [0,1,0,0,1,0|2,0,0]=4 864 B10R1.194 Cc1cnc(n1C)C(=O)O AB70178 [0,1,0,0,1,0|2,0,0]=4 865 B12R1.124 Cc1cccnc1C(C(=O)O)O AB31474 [0,1,0,0,0,1|2,0,0]=4 866 B12R1.127 CC(=O)Nc1cc(cnc1Cl)Br AB40834 [0,1,0,0,0,1|2,0,0]=4 867 B12R1.233 Cc1cc(cnc1NC(=O)C)N AB64450 [0,1,0,0,0,1|1,0,0]=3 868 B12R1.371 COC(=O)Cc1c(cccn1)Br PB23028 [0,1,0,0,0,1|2,0,0]=4 869 B12R1.371 COC(=O)Cc1cccnc1Cl AB76392 [0,1,0,0,0,1|2,0,0]=4 870 B12R1.46 COc1c(cc(cn1)Br)C(=O)O PB10367 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.46 COc1c(cc(cn1)F)C(=O)O AB20974 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.46 Cc1cc(c(nc1)OC)C(=O)C AB70471 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.57 CC(=O)c1ccc(nc1OC)Cl AB64676 [0,2,0,0,0,0|1,0,0]=3 874 B12R1.57 CN(C)c1c(nc(cn1)Br)OC MB19785 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.57 COc1c(ccc(n1)Br)C(=O)O AB67021 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.57 COc1c(ccc(n1)Cl)C(=O)O AB64672 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.57 COc1c(ccc(n1)F)C(=O)O AB67028 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.57 COc1c(ccc(n1)N)C(=O)O AB43430 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.57 COc1c(ncc(n1)Cl)C(=O)O AB69259 [0,2,0,0,0,0|1,0,0]=3 880 B12R1.77 CNc1c(cccn1)C(=O)OC AB66270 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.77 COC(=O)c1c(cccn1)C#C AB69078 [0,2,0,0,0,0|1,0,1]=4 882 B12R1.77 COC(=O)c1c(cccn1)C#N AB03603 [0,2,0,0,0,0|1,0,1]=4 883 B12R1.77 COC(=O)c1c(cccn1)CBr AB31487 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.77 COC(=O)c1c(cccn1)CCl AB70258 [0,2,0,0,0,0|1,0,0]=3 885 B12R1.77 COC(=O)c1c(cccn1)CO AB76394 [0,2,0,0,0,0|1,0,0]=3 886 B12R1.77 COC(=O)c1c(nccn1)CBr AB74372 [0,2,0,0,0,0|0,0,0]=2 887 B12R1.77 COC(=O)c1ccccc1CBr AB14704 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.77 COC(=O)c1cccnc1CBr AB71758 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.77 COC(=O)c1cccnc1CCl MB08842 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.77 COc1c(cccn1)C(=O)OC PB12422 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.87 CC(=O)c1c(c(ccn1)O)C=O AB84465 [0,2,0,0,0,0|1,0,1]=4 892 B12R1.261 CC(=O)c1c(cccn1)[N+](=O)[O-] PB30354 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.283 CCOc1c(cccn1)C(=O)O AB03594 [0,2,0,0,0,0|2,0,0]=4 894 B12R1.437 CC(=O)c1c(ccnc1C=O)O AB84227 [0,2,0,0,0,0|1,0,1]=4 895 B12R1.437 CC(=O)c1c(ccnc1CCl)O AB84230 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.437 CC(=O)c1c(ccnc1O)C=O AB84244 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.437 CC(=O)c1c(ccnc1O)CCl AB84253 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.437 CC(=O)c1c(ccnc1O)OC AB84236 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.437 CC(=O)c1c(ccnc1OC)N AB83825 [0,2,0,0,0,0|1,0,0]=3 900 B12R1.437 CC(=O)c1c(ccnc1OC)O AB74866 [0,2,0,0,0,0|1,0,0]=3 901 B12R1.437 COc1c(c(ccn1)Cl)C(=O)O AB67016 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.437 COc1c(c(ccn1)F)C(=O)O AB67029 [0,2,0,0,0,0|2,0,0]=4 903 B12R1.437 COc1c(c(ccn1)N)C(=O)O AB67037 [0,2,0,0,0,0|2,0,0]=4 904 B12R1.437 COc1c(c(ccn1)O)C(=O)O AB67049 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.1000 Cc1cc(nc(c1C(=O)O)C)Cl AB23712 [0,2,0,0,0,0|2,0,0]=4 906 B12R1.3441 COC(=O)c1c(ccnc1Cl)Cl PB14881 [0,2,0,0,0,0|2,0,0]=4 907 B12R1.3441 COC(=O)c1c(ccnc1Cl)I AB17422 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.3441 COC(=O)c1c(ccnc1Cl)N PB30425 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.3441 Cc1cccc(c1C(=O)NC)O MB25066 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.3441 Cc1cccc(c1C(=O)OC)O MB04157 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.24 Cc1c(cccc1O)C(=O)NC MB30831 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.440 CC(=O)c1c(c(ccn1)C=O)N AB83591 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.440 CC(=O)c1c(c(ccn1)C=O)O AB84348 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.440 CC(=O)c1c(c(ccn1)CCl)O AB84352 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.440 CC(=O)c1c(c(ccn1)OC)N AB83867 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.440 CC(=O)c1c(c(ccn1)OC)O AB84341 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.232 Cc1c(nc(c(n1)C(=O)N)N)C AB53108 [0,2,0,0,0,0|2,0,0]=4 918 B12R1.232 Cc1c(nc(c(n1)C(=O)O)Cl)C AB63393 [0,2,0,0,0,0|2,0,0]=4 919 B12R1.232 Cc1c(nc(c(n1)C(=O)O)N)C AB06540 [0,2,0,0,0,0|2,0,0]=4 920 B12R1.452 CC(=O)c1c(cc(cn1)C=O)O AB84321 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.452 CC(=O)c1c(cc(cn1)CCl)O AB84327 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.452 CC(=O)c1c(cc(cn1)OC)N AB77142 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.452 CC(=O)c1c(cc(cn1)OC)O AB74834 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.452 CC(=O)c1ccc(nc1Cl)OC AB67053 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.452 CC(=O)c1ccc(nc1F)OC AB72632 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.452 CC(=O)c1ccc(nc1N)C=O AB83844 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.452 CC(=O)c1ccc(nc1N)OC AB75424 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.452 CC(=O)c1ccc(nc1O)C=O AB84282 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.452 CC(=O)c1ccc(nc1O)CCl AB84289 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.452 CC(=O)c1ccc(nc1O)OC AB84275 [0,2,0,0,0,0|2,0,0]=4 931 B12R1.452 Cc1c(ncc(n1)OC)C(=O)C AB85670 [0,2,0,0,0,0|0,0,0]=2 932 B12R1.452 Cc1c(ncc(n1)OC)C(=O)O AB85662 [0,2,0,0,0,0|1,0,0]=3 933 B12R1.1703 COC(=O)c1c(cc(cn1)Br)N PB33334 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)Cl AB55524 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)N AB62862 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.1703 COC(=O)c1c(nc(cn1)N)N AB64401 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.1703 COC(=O)c1c(nc(cn1)O)N AB64394 [0,2,0,0,0,0|1,0,0]=3 938 B12R1.1703 COC(=O)c1ccc(nc1Br)N AB73582 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.1703 COC(=O)c1ccc(nc1Cl)N AB70592 [0,2,0,0,0,0|2,0,0]=4 940 B12R1.1703 COC(=O)c1ccc(nc1F)F AB48567 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.1703 COC(=O)c1ccc(nc1N)Cl PB30193 [0,2,0,0,0,0|2,0,0]=4 942 B12R1.1703 Cc1c(ccc(n1)N)C(=O)OC AB43431 [0,2,0,0,0,0|1,0,0]=3 943 B12R1.1703 Cc1c(ccc(n1)O)C(=O)OC AB64410 [0,2,0,0,0,0|1,0,0]=3 944 B12R1.1703 Cc1c(ncc(n1)Br)C(=O)OC AB85711 [0,2,0,0,0,0|0,0,0]=2 945 B12R1.1703 Cc1c(ncc(n1)Cl)C(=O)OC AB85680 [0,2,0,0,0,0|0,0,0]=2 946 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br AB55602 [0,2,0,0,0,0|2,0,0]=4 947 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br AB41229 [0,2,0,0,0,0|1,0,0]=3 948 B12R1.1703 Cc1cc(cnc1C(=O)OC)Cl AB41234 [0,2,0,0,0,0|1,0,0]=3 949 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC AB55505 [0,2,0,0,0,0|2,0,0]=4 950 B12R1.1703 Cc1cnc(c(n1)Cl)C(=O)OC AB60387 [0,2,0,0,0,0|1,0,0]=3 951 B12R1.354 CCC(=O)c1c(ncc(n1)C)C AB77041 [0,2,0,0,0,0|0,0,0]=2 952 B12R1.354 COC(=O)c1c(ccc(n1)Cl)N PB13808 [0,2,0,0,0,0|2,0,0]=4 953 B12R1.354 COC(=O)c1c(ncc(n1)Br)Br PB34663 [0,2,0,0,0,0|1,0,0]=3 954 B12R1.354 COC(=O)c1c(ncc(n1)Br)Cl AB72474 [0,2,0,0,0,0|1,0,0]=3 955 B12R1.354 COC(=O)c1c(ncc(n1)Br)N PB33922 [0,2,0,0,0,0|1,0,0]=3 956 B12R1.354 COC(=O)c1c(ncc(n1)Cl)Cl AB60390 [0,2,0,0,0,0|1,0,0]=3 957 B12R1.354 COC(=O)c1c(ncc(n1)Cl)N AB07403 [0,2,0,0,0,0|1,0,0]=3 958 B12R1.354 COC(=O)c1c(ncc(n1)Cl)O AB60443 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.354 COC(=O)c1c(ncc(n1)I)N PB10772 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.354 COC(=O)c1cc(cnc1Br)Br PB26964 [0,2,0,0,0,0|2,0,0]=4 961 B12R1.354 COC(=O)c1cc(cnc1Br)Cl AB70566 [0,2,0,0,0,0|2,0,0]=4 962 B12R1.354 COC(=O)c1cc(cnc1Br)F AB70569 [0,2,0,0,0,0|2,0,0]=4 963 B12R1.354 COC(=O)c1cc(cnc1Cl)Br PB26106 [0,2,0,0,0,0|2,0,0]=4 964 B12R1.354 COC(=O)c1cc(cnc1Cl)Cl AB16809 [0,2,0,0,0,0|2,0,0]=4 965 B12R1.354 COC(=O)c1cc(cnc1Cl)F AB51576 [0,2,0,0,0,0|2,0,0]=4 966 B12R1.354 COC(=O)c1cc(cnc1Cl)N AB64794 [0,2,0,0,0,0|2,0,0]=4 967 B12R1.354 COC(=O)c1cc(cnc1N)Br PB15783 [0,2,0,0,0,0|2,0,0]=4 968 B12R1.354 COC(=O)c1cc(cnc1N)Cl AB49362 [0,2,0,0,0,0|2,0,0]=4 969 B12R1.354 COC(=O)c1cc(cnc1O)Br PB22109 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.354 COC(=O)c1cc(cnc1O)Cl AB44644 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.354 COC(=O)c1cc(cnc1O)I AB43751 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.354 Cc1c(cc(cn1)Cl)C(=O)OC CB11364 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.354 Cc1c(cc(cn1)F)C(=O)OC AB74561 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.354 Cc1cc(c(nc1)Cl)C(=O)OC AB41818 [0,2,0,0,0,0|2,0,0]=4 975 B12R1.354 Cc1ccc(cc1C(=O)NC)O MB25214 [0,2,0,0,0,0|2,0,0]=4 976 B12R1.354 Cc1ccc(cc1C(=O)OC)Br AB53585 [0,2,0,0,0,0|2,0,0]=4 977 B12R1.354 Cc1ccc(cc1C(=O)OC)O CB11516 [0,2,0,0,0,0|2,0,0]=4 978 B12R1.453 CC(=O)c1c(ccc(n1)C=O)N AB83845 [0,2,0,0,0,0|2,0,0]=4 979 B12R1.453 CC(=O)c1c(ccc(n1)C=O)O AB84301 [0,2,0,0,0,0|2,0,0]=4 980 B12R1.453 CC(=O)c1c(ccc(n1)CCl)O AB84307 [0,2,0,0,0,0|2,0,0]=4 981 B12R1.453 CC(=O)c1c(ccc(n1)OC)N AB77145 [0,2,0,0,0,0|2,0,0]=4 982 B12R1.453 CC(=O)c1c(ccc(n1)OC)O AB71440 [0,2,0,0,0,0|2,0,0]=4 983 B12R1.453 CC(=O)c1cc(cnc1F)OC AB72625 [0,2,0,0,0,0|2,0,0]=4 984 B12R1.453 CC(=O)c1cc(cnc1N)C=O AB83834 [0,2,0,0,0,0|2,0,0]=4 985 B12R1.453 CC(=O)c1cc(cnc1N)OC AB75419 [0,2,0,0,0,0|2,0,0]=4 986 B12R1.453 CC(=O)c1cc(cnc1O)C=O AB84265 [0,2,0,0,0,0|2,0,0]=4 987 B12R1.453 CC(=O)c1cc(cnc1O)CCl AB84269 [0,2,0,0,0,0|2,0,0]=4 988 B12R1.453 CC(=O)c1cc(cnc1O)OC AB84257 [0,2,0,0,0,0|2,0,0]=4 989 B12R1.453 COc1cnc(c(n1)C(=O)O)Cl AB73164 [0,2,0,0,0,0|2,0,0]=4 990 B12R1.453 COc1cnc(c(n1)C(=O)O)N AB60428 [0,2,0,0,0,0|2,0,0]=4 991 B12R1.308 CCOC(=O)c1c(cccn1)Br AB68905 [0,2,0,0,0,0|2,0,0]=4 992 B12R1.308 CCOC(=O)c1c(cccn1)C AB64448 [0,2,0,0,0,0|1,0,0]=3 993 B12R1.308 CCOC(=O)c1c(cccn1)N AB06627 [0,2,0,0,0,0|2,0,0]=4 994 B12R1.308 CCOC(=O)c1c(ccnn1)C PB13973 [0,2,0,0,0,0|2,0,0]=4 995 B12R1.308 CCOC(=O)c1c(cncn1)C AB71784 [0,2,0,0,0,0|2,0,0]=4 996 B12R1.308 CCOC(=O)c1c(nccn1)C AB53416 [0,2,0,0,0,0|0,0,0]=2 997 B12R1.308 CCOC(=O)c1c(nccn1)Cl AB32646 [0,2,0,0,0,0|1,0,0]=3 998 B12R1.308 CCOC(=O)c1c(nccn1)N AB30933 [0,2,0,0,0,0|1,0,0]=3 999 B12R1.308 CCOC(=O)c1c(ncnn1)C AB72453 [0,2,0,0,0,0|1,0,0]=3 1000 B12R1.308 CCOC(=O)c1c(ncnn1)Cl AB72452 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.308 CCOC(=O)c1c(nncn1)Cl AB72426 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.308 CCOC(=O)c1cccnc1C AB00718 [0,2,0,0,0,0|1,0,0]=3 1003 B12R1.308 CCOC(=O)c1cccnc1N PB26067 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.308 CCOC(=O)c1cccnc1O AB53419 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.308 CCOC(=O)c1ccnnc1C PB32968 [0,2,0,0,0,0|2,0,0]=4 1006 B10R1.8 Cc1cc(nc(c1)C=O)C AB04218 [0,0,1,1,0,0|2,0,0]=4 1007 B10R2.7 c1cc2c(nc1)NCC2 PB34146 [1,0,0,1,0,0|2,0,0]=4 1008 B10R2.7 c1cnc2=NCC=c2n1 PB29690 [1,0,0,1,0,0|1,0,0]=3 1009 B10R2.7 c1cnc2c(n1)CCN2 AB75473 [1,0,0,1,0,0|1,0,0]=3 1010 B10R2.7 c1cnc2c(n1)CNC2 AB65657 [1,0,0,1,0,0|1,0,1]=4 1011 B10R2.7 c1nc2=NCC=c2nn1 AB72444 [1,0,0,1,0,0|2,0,0]=4 1012 B12R2.24 c1c2c(ncn1)CC(=O)CC2 AB61058 [0,0,0,1,0,1|2,0,0]=4 1013 B12R2.24 c1c2c(ncn1)CCC(=O)C2 AB45338 [0,0,0,1,0,1|2,0,0]=4 1014 B12R2.24 c1cc2c(nc1)CC(=O)NC2 AB77257 [0,0,0,1,0,1|2,0,0]=4 1015 B12R2.24 c1cc2c(nc1)CCC(=O)C2 AB26260 [0,0,0,1,0,1|1,0,0]=3 1016 B12R2.24 c1cc2c(nc1)NC(=O)CC2 PB12351 [0,0,0,1,0,1|1,0,0]=3 1017 B12R2.24 c1cc2c(nc1)OCC(=O)C2 AB74015 [0,0,0,1,0,1|2,0,0]=4 1018 B12R2.1081 c1c2c(ncn1)CCCC2=O AB49635 [0,1,0,1,0,0|2,0,0]=4 1019 B12R2.1081 c1c2c(ncn1)CCNC2=O AB77289 [0,1,0,1,0,0|2,0,0]=4 1020 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 AB16309 [0,1,0,1,0,0|1,0,0]=3 1021 B12R2.1081 c1cc2c(nc1)C(=O)COC2 AB74027 [0,1,0,1,0,0|1,0,0]=3 1022 B12R2.1081 c1cc2c(nc1)C(=O)NCC2 AB71451 [0,1,0,1,0,0|1,0,0]=3 1023 B12R2.1081 c1cc2c(nc1)CCCC2=O PB30737 [0,1,0,1,0,0|1,0,0]=3 1024 B12R2.1081 c1cc2c(nc1)CCNC2=O AB07692 [0,1,0,1,0,0|1,0,0]=3 1025 B12R2.1081 c1cc2c(nc1)OCCC2=O AB52763 [0,1,0,1,0,0|1,0,0]=3 1026 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 AB06711 [0,1,0,1,0,0|2,0,0]=4 1027 B12R2.1081 c1ccc2c(c1)C(=O)CCO2 AB00814 [0,1,0,1,0,0|2,0,0]=4 1028 B12R2.1081 c1ccc2c(c1)CCNC2=O AB07451 [0,1,0,1,0,0|2,0,0]=4 1029 B12R2.1081 c1ccc2c(c1)CCOC2=O MB01461 [0,1,0,1,0,0|2,0,0]=4 1030 B12R2.1081 c1ccc2c(c1)CNCC2=O AB11544 [0,1,0,1,0,0|2,0,0]=4 1031 B12R2.1081 c1ccc2c(c1)COCC2=O PB14717 [0,1,0,1,0,0|2,0,0]=4 1032 B12R2.2028 c1cc2c(nc1)C(=O)OC2O AB59881 [0,1,0,1,0,0|2,0,0]=4 1033 B12R2.2028 c1ccc2c(c1)C(CC2=O)Br MB07683 [0,1,0,1,0,0|2,0,0]=4 1034 B12R2.2028 c1ccc2c(c1)C(CC2=O)N AB50544 [0,1,0,1,0,0|2,0,0]=4 1035 B12R2.203 c1cc2c(c(c1)F)C(=O)CC2 MB04473 [0,1,0,1,0,0|2,0,0]=4 1036 B12R2.196 c1cc2c(c(c1)Br)CCC2=O PB19935 [0,1,0,1,0,0|2,0,0]=4 1037 B12R2.196 c1cc2c(c(c1)Cl)CCC2=O PB25074 [0,1,0,1,0,0|2,0,0]=4 1038 B12R2.196 c1cc2c(c(c1)F)CCC2=O AB07191 [0,1,0,1,0,0|2,0,0]=4 1039 B12R2.196 c1cc2c(c(c1)I)CCC2=O MB07542 [0,1,0,1,0,0|2,0,0]=4 1040 B12R2.612 Cc1ccc2c(n1)OCC2=O AB70120 [0,1,0,1,0,0|2,0,0]=4 1041 B12R2.612 c1cc(nc2c1C(=O)CC2)Br AB70085 [0,1,0,1,0,0|1,0,0]=3 1042 B12R2.612 c1cc(nc2c1C(=O)CC2)Cl AB64289 [0,1,0,1,0,0|1,0,0]=3 1043 B12R2.612 c1cc(nc2c1C(=O)CO2)Cl AB70109 [0,1,0,1,0,0|2,0,0]=4 1044 B12R2.612 c1cc2c(cc1Cl)CCC2=O AB01874 [0,1,0,1,0,0|2,0,0]=4 1045 B12R2.612 c1cc2c(cc1F)CCC2=O AB01853 [0,1,0,1,0,0|2,0,0]=4 1046 B12R2.612 c1cc2c(cc1I)CCC2=O MB07544 [0,1,0,1,0,0|2,0,0]=4 1047 B12R2.132 c1c(cnc2c1C(=O)CC2)Br AB70093 [0,1,0,1,0,0|1,0,0]=3 1048 B12R2.132 c1c(cnc2c1C(=O)CC2)Cl AB70090 [0,1,0,1,0,0|1,0,0]=3 1049 B12R2.132 c1cc2c(cc1Br)C(=O)CC2 PB34016 [0,1,0,1,0,0|2,0,0]=4 1050 B12R2.132 c1cc2c(cc1Cl)C(=O)CC2 PB14192 [0,1,0,1,0,0|2,0,0]=4 1051 B12R2.132 c1cc2c(cc1F)C(=O)CC2 AB08649 [0,1,0,1,0,0|2,0,0]=4 1052 B12R2.18 CN1Cc2ccccc2C1=O MB00364 [0,1,0,1,0,0|2,0,0]=4 1053 B8R1.7 C1=NC=NC1C(=O)N CB10787 [1,0,0,0,1,0|1,0,1]=4 1054 B8R1.7 C1=NC=NC1C(=O)O AB03082 [1,0,0,0,1,0|1,0,1]=4 1055 B8R1.7 C1C=C(C=N1)C(=O)O MB01464 [1,0,0,0,1,0|1,0,1]=4 1056 B8R1.7 C1C=NC(=N1)C(=O)N AB50089 [1,0,0,0,1,0|1,0,1]=4 1057 B8R1.7 CC(=O)C1=CN=CC1 AB02749 [1,0,0,0,1,0|0,0,1]=3 1058 B8R1.7 CC(=O)c1ccsc1 PB17033 [1,0,0,0,1,0|1,0,0]=3 1059 B8R1.7 CC(=O)c1cocn1 AB73503 [1,0,0,0,1,0|1,0,0]=3 1060 B8R1.7 CC(=O)c1ncco1 AB42105 [1,0,0,0,1,0|1,0,0]=3 1061 B8R1.7 c1[nH]nc(n1)C(=O)O AB02998 [1,0,0,0,1,0|2,0,0]=4 1062 B8R1.7 c1c(con1)C(=O)O AB27926 [1,0,0,0,1,0|2,0,0]=4 1063 B8R1.7 c1c(csn1)C(=O)O AB48586 [1,0,0,0,1,0|2,0,0]=4 1064 B8R1.7 c1c(nco1)C(=O)O PB14470 [1,0,0,0,1,0|2,0,0]=4 1065 B8R1.7 c1c(nco1)C(=O)[O-] AB28203 [1,0,0,0,1,0|2,0,0]=4 1066 B8R1.7 c1c(ncs1)C(=O)N AB06564 [1,0,0,0,1,0|2,0,0]=4 1067 B8R1.7 c1c(ncs1)C(=O)O AB06561 [1,0,0,0,1,0|2,0,0]=4 1068 B8R1.7 c1c(non1)C(=O)O AB06534 [1,0,0,0,1,0|2,0,0]=4 1069 B8R1.7 c1c(nsn1)C(=O)O AB09086 [1,0,0,0,1,0|2,0,0]=4 1070 B8R1.7 c1c(ocn1)C(=O)N AB19298 [1,0,0,0,1,0|2,0,0]=4 1071 B8R1.7 c1c(ocn1)C(=O)O AB19293 [1,0,0,0,1,0|2,0,0]=4 1072 B8R1.7 c1c(scn1)C(=O)O AB15430 [1,0,0,0,1,0|2,0,0]=4 1073 B8R1.7 c1cnsc1C(=O)O AB32452 [1,0,0,0,1,0|2,0,0]=4 1074 B8R1.7 c1coc(n1)C(=O)N AB19289 [1,0,0,0,1,0|2,0,0]=4 1075 B8R1.7 c1coc(n1)C(=O)O AB19305 [1,0,0,0,1,0|2,0,0]=4 1076 B8R1.7 c1cocc1C(=O)O PB30525 [1,0,0,0,1,0|2,0,0]=4 1077 B8R1.7 c1conc1C(=O)O PB26232 [1,0,0,0,1,0|2,0,0]=4 1078 B8R1.7 c1csc(n1)C(=O)O AB10888 [1,0,0,0,1,0|2,0,0]=4 1079 B8R1.7 c1cscc1C(=O)O PB18386 [1,0,0,0,1,0|2,0,0]=4 1080 B8R1.7 c1csnc1C(=O)O PB34433 [1,0,0,0,1,0|2,0,0]=4 1081 B8R1.11 C1C=C(C(=N1)C=O)Br PB29916 [1,0,0,0,1,0|1,0,1]=4 1082 B8R1.11 C1C=C(C(=N1)C=O)Cl PB23804 [1,0,0,0,1,0|1,0,1]=4 1083 B8R1.11 CC1=C(N=CC1)C=O AB01496 [1,0,0,0,1,0|0,0,1]=3 1084 B8R1.11 CC1=NN=CC1C=O PB32235 [1,0,0,0,1,0|1,0,1]=4 1085 B8R1.11 Cc1c(ccs1)C=O AB53893 [1,0,0,0,1,0|1,0,0]=3 1086 B8R1.11 Cc1c(nco1)C=O AB62633 [1,0,0,0,1,0|1,0,0]=3 1087 B8R1.11 Cc1c(ncs1)C=O AB62627 [1,0,0,0,1,0|1,0,0]=3 1088 B8R1.11 Cc1c(scn1)C=O CB10986 [1,0,0,0,1,0|1,0,0]=3 1089 B8R1.11 Cn1c(ccn1)C=O PB21218 [1,0,0,0,1,0|1,0,0]=3 1090 B8R1.11 Cn1c(cnn1)C=O AB57107 [1,0,0,0,1,0|2,0,0]=4 1091 B8R1.11 Cn1ccnc1C=O PB12922 [1,0,0,0,1,0|1,0,0]=3 1092 B8R1.11 Cn1cnnc1C=O AB57353 [1,0,0,0,1,0|2,0,0]=4 1093 B8R1.11 c1coc(c1Br)C=O AB31934 [1,0,0,0,1,0|2,0,0]=4 1094 B8R1.11 c1csc(c1Br)C=O PB25976 [1,0,0,0,1,0|2,0,0]=4 1095 B8R1.11 c1csc(c1Cl)C=O PB32269 [1,0,0,0,1,0|2,0,0]=4