0 B6R1.1 C1CNCC=C1 PB15670 [0,0,0,0,0,0|0,0,4]=4 1 B7R1.3 Cc1cccnn1 PB33649 [0,1,0,0,0,0|1,0,0]=2 2 B7R1.3 Cc1ccncn1 PB17038 [0,1,0,0,0,0|1,0,0]=2 3 B7R1.3 Cc1ccnnc1 PB24546 [0,1,0,0,0,0|1,0,0]=2 4 B7R1.3 Cc1nccnn1 AB55984 [0,1,0,0,0,0|2,0,0]=3 5 B7R1.3 c1c(cncn1)Br PB28945 [0,1,0,0,0,0|1,0,0]=2 6 B7R1.3 c1c(cncn1)Cl AB16528 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 c1c(cncn1)N PB12745 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 c1c(cncn1)O PB27730 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 c1cc(cnc1)Br AB00739 [0,1,0,0,0,0|0,0,0]=1 10 B7R1.3 c1cc(cnc1)I AB01382 [0,1,0,0,0,0|0,0,0]=1 11 B7R1.3 c1cc(cnc1)[O-] MB00567 [0,1,0,0,0,0|0,0,0]=1 12 B7R1.3 c1cc(nnc1)Br MB08580 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 c1cc(nnc1)Cl AB30021 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 c1cc(nnc1)Cl PB34726 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 c1cc(nnc1)N PB17217 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 c1cc(nnc1)O PB32258 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 c1ccnc(c1)Br AB00627 [0,1,0,0,0,0|0,0,0]=1 18 B7R1.3 c1cnc(cn1)Br MB06072 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 c1cnc(cn1)I AB08841 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 c1cnc(cn1)N PB30528 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.3 c1cnc(cn1)O AB05056 [0,1,0,0,0,0|1,0,0]=2 22 B7R1.3 c1cnc(nc1)Cl AB00572 [0,1,0,0,0,0|1,0,0]=2 23 B7R1.3 c1cnc(nc1)N MB00175 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 c1cnccc1Br AB05093 [0,1,0,0,0,0|0,0,0]=1 25 B7R1.3 c1cnccc1I AB10861 [0,1,0,0,0,0|0,0,0]=1 26 B7R1.3 c1cnccc1O PB17041 [0,1,0,0,0,0|0,0,0]=1 27 B7R1.3 c1cncnc1Br PB10690 [0,1,0,0,0,0|1,0,0]=2 28 B7R1.3 c1cncnc1Cl AB43600 [0,1,0,0,0,0|1,0,0]=2 29 B7R1.3 c1cncnc1Cl PB13479 [0,1,0,0,0,0|1,0,0]=2 30 B7R1.3 c1cncnc1N PB11581 [0,1,0,0,0,0|1,0,0]=2 31 B7R1.3 c1cncnc1O PB32093 [0,1,0,0,0,0|1,0,0]=2 32 B7R1.3 c1cnnc(n1)Cl AB72415 [0,1,0,0,0,0|2,0,0]=3 33 B7R1.3 c1cnnc(n1)N AB00769 [0,1,0,0,0,0|2,0,0]=3 34 B7R1.3 c1cnncc1Br AB48350 [0,1,0,0,0,0|1,0,0]=2 35 B7R1.3 c1cnncc1Cl AB50535 [0,1,0,0,0,0|1,0,0]=2 36 B7R1.3 c1cnncc1I AB70137 [0,1,0,0,0,0|1,0,0]=2 37 B7R1.3 c1cnncc1N PB29051 [0,1,0,0,0,0|1,0,0]=2 38 B7R1.3 c1cnncc1N PB39062 [0,1,0,0,0,0|1,0,0]=2 39 B5R1.1 C1C=NN=N1 AB01140 [0,0,0,0,1,0|2,0,1]=4 40 B5R1.1 c1cocn1 PB17048 [0,0,0,0,1,0|1,0,0]=2 41 B6R1.2 C1=NC(=O)N=C1 AB01798 [0,1,0,0,1,0|1,0,0]=3 42 B6R1.2 C1=NC=NC1Br AB02015 [0,1,0,0,1,0|1,0,1]=4 43 B6R1.2 C1=NC=NC1I AB09493 [0,1,0,0,1,0|1,0,1]=4 44 B6R1.2 C1=NC=NC1N MB08721 [0,1,0,0,1,0|1,0,1]=4 45 B6R1.2 C1=NN=CC1Br AB02892 [0,1,0,0,1,0|1,0,1]=4 46 B6R1.2 C1=NN=CC1Cl AB04179 [0,1,0,0,1,0|1,0,1]=4 47 B6R1.2 C1=NN=CC1F AB62567 [0,1,0,0,1,0|1,0,1]=4 48 B6R1.2 C1=NN=CC1N AB09779 [0,1,0,0,1,0|1,0,1]=4 49 B6R1.2 C1=NN=CC1N PB33970 [0,1,0,0,1,0|1,0,1]=4 50 B6R1.2 C1C=C(N=N1)Br AB68518 [0,1,0,0,1,0|1,0,1]=4 51 B6R1.2 C1C=C(N=N1)Br CB10536 [0,1,0,0,1,0|1,0,1]=4 52 B6R1.2 C1C=C(N=N1)I PB15017 [0,1,0,0,1,0|1,0,1]=4 53 B6R1.2 C1C=C(N=N1)N PB32063 [0,1,0,0,1,0|1,0,1]=4 54 B6R1.2 C1C=NC(=N1)Br AB11316 [0,1,0,0,1,0|1,0,1]=4 55 B6R1.2 C1C=NC(=N1)Cl AB11323 [0,1,0,0,1,0|1,0,1]=4 56 B6R1.2 C1C=NC(=N1)I AB04195 [0,1,0,0,1,0|1,0,1]=4 57 B6R1.2 C1C=NC(=N1)N AB07116 [0,1,0,0,1,0|1,0,1]=4 58 B6R1.2 C1C=NC(=N1)N AB29274 [0,1,0,0,1,0|1,0,1]=4 59 B6R1.2 C1C=NC(=N1)O AB52896 [0,1,0,0,1,0|1,0,1]=4 60 B6R1.2 C1C=NC(=N1)S AB00386 [0,1,0,0,1,0|1,0,1]=4 61 B6R1.2 CC1=CN=CC1 PB12076 [0,1,0,0,1,0|0,0,1]=3 62 B6R1.2 CC1=CN=NC1 AB00390 [0,1,0,0,1,0|1,0,1]=4 63 B6R1.2 CC1=NC=CC1 AB12705 [0,1,0,0,1,0|0,0,1]=3 64 B6R1.2 Cc1ccon1 AB01288 [0,1,0,0,1,0|1,0,0]=3 65 B6R1.2 Cc1cocn1 AB63545 [0,1,0,0,1,0|1,0,0]=3 66 B6R1.2 Cn1cccn1 PB33818 [0,1,0,0,1,0|1,0,0]=3 67 B6R1.2 Cn1ccnn1 AB51214 [0,1,0,0,1,0|2,0,0]=4 68 B6R1.2 Cn1cnnc1 AB06345 [0,1,0,0,1,0|2,0,0]=4 69 B6R1.2 c1[nH]nc(n1)Br AB09118 [0,1,0,0,1,0|2,0,0]=4 70 B6R1.2 c1c(con1)Br AB11359 [0,1,0,0,1,0|1,0,0]=3 71 B6R1.2 c1c(con1)F AB68759 [0,1,0,0,1,0|1,0,0]=3 72 B6R1.2 c1c(con1)N AB43605 [0,1,0,0,1,0|1,0,0]=3 73 B6R1.2 c1c(csn1)Br AB25618 [0,1,0,0,1,0|1,0,0]=3 74 B6R1.2 c1c(csn1)N AB11898 [0,1,0,0,1,0|1,0,0]=3 75 B6R1.2 c1c(nco1)Br AB71589 [0,1,0,0,1,0|1,0,0]=3 76 B6R1.2 c1c(nco1)Cl AB71588 [0,1,0,0,1,0|1,0,0]=3 77 B6R1.2 c1c(nco1)N AB65031 [0,1,0,0,1,0|1,0,0]=3 78 B6R1.2 c1c(nsn1)Br AB65649 [0,1,0,0,1,0|2,0,0]=4 79 B6R1.2 c1c(ocn1)Br AB68491 [0,1,0,0,1,0|1,0,0]=3 80 B6R1.2 c1c(ocn1)N MB10132 [0,1,0,0,1,0|1,0,0]=3 81 B6R1.2 c1c(scn1)Br AB42975 [0,1,0,0,1,0|1,0,0]=3 82 B6R1.2 c1cc(oc1)Br AB04890 [0,1,0,0,1,0|1,0,0]=3 83 B6R1.2 c1cc(sc1)N AB08372 [0,1,0,0,1,0|1,0,0]=3 84 B6R1.2 c1ccn(c1)N PB33802 [0,1,0,0,1,0|0,0,1]=3 85 B6R1.2 c1cn(cn1)N AB53511 [0,1,0,0,1,0|1,0,0]=3 86 B6R1.2 c1cnoc1N MB00706 [0,1,0,0,1,0|1,0,0]=3 87 B6R1.2 c1coc(n1)Br AB53255 [0,1,0,0,1,0|1,0,0]=3 88 B6R1.2 c1coc(n1)I PB15201 [0,1,0,0,1,0|1,0,0]=3 89 B6R1.2 c1coc(n1)N MB04324 [0,1,0,0,1,0|1,0,0]=3 90 B6R1.2 c1conc1N PB33787 [0,1,0,0,1,0|1,0,0]=3 91 B6R1.2 c1conc1O MB20248 [0,1,0,0,1,0|1,0,0]=3 92 B6R1.2 c1csc(n1)Br AB00399 [0,1,0,0,1,0|1,0,0]=3 93 B6R1.2 c1csc(n1)Cl CB10295 [0,1,0,0,1,0|1,0,0]=3 94 B6R1.2 c1csc(n1)O AB10887 [0,1,0,0,1,0|1,0,0]=3 95 B6R1.2 c1cscc1N MB09694 [0,1,0,0,1,0|1,0,0]=3 96 B6R1.2 c1cscc1N PB23357 [0,1,0,0,1,0|1,0,0]=3 97 B6R1.2 c1nc(sn1)N AB08270 [0,1,0,0,1,0|2,0,0]=4 98 B6R1.2 c1nnc(s1)Br PB10299 [0,1,0,0,1,0|2,0,0]=4 99 B8R1.2 C#Cc1ccccn1 PB17077 [0,2,0,0,0,0|0,0,0]=2 100 B8R1.2 C#Cc1cccnc1 PB29186 [0,2,0,0,0,0|0,0,0]=2 101 B8R1.2 C#Cc1cccnn1 PB34819 [0,2,0,0,0,0|1,0,0]=3 102 B8R1.2 C#Cc1ccncc1 PB29291 [0,2,0,0,0,0|0,0,0]=2 103 B8R1.2 C#Cc1ccncn1 AB69106 [0,2,0,0,0,0|1,0,0]=3 104 B8R1.2 C#Cc1cnccn1 PB18058 [0,2,0,0,0,0|1,0,0]=3 105 B8R1.2 C#Cc1cncnc1 PB12263 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.2 C#Cc1ncccn1 AB61370 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.2 CNc1cccnc1 AB09114 [0,2,0,0,0,0|0,0,0]=2 108 B8R1.2 CNc1ccncn1 AB60623 [0,2,0,0,0,0|1,0,0]=3 109 B8R1.2 CNc1cncnc1 AB60774 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.2 CNc1ncccn1 AB05135 [0,2,0,0,0,0|1,0,0]=3 111 B8R1.2 COc1cccnc1 AB06864 [0,2,0,0,0,0|0,0,0]=2 112 B8R1.2 COc1cccnn1 AB05130 [0,2,0,0,0,0|1,0,0]=3 113 B8R1.2 COc1ccnnc1 AB44150 [0,2,0,0,0,0|1,0,0]=3 114 B8R1.2 c1c(cncn1)C#N PB29060 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.2 c1c(cncn1)C=O PB32342 [0,2,0,0,0,0|1,0,0]=3 116 B8R1.2 c1c(cncn1)CCl PB31962 [0,2,0,0,0,0|1,0,0]=3 117 B8R1.2 c1c(cncn1)CCl PB34530 [0,2,0,0,0,0|1,0,0]=3 118 B8R1.2 c1c(cncn1)CN PB26277 [0,2,0,0,0,0|1,0,0]=3 119 B8R1.2 c1c(cncn1)CO PB18631 [0,2,0,0,0,0|1,0,0]=3 120 B8R1.2 c1c(cncn1)NN PB30357 [0,2,0,0,0,0|1,0,0]=3 121 B8R1.2 c1cc(cnc1)C=O AB00744 [0,2,0,0,0,0|0,0,0]=2 122 B8R1.2 c1cc(cnc1)CCl AB01984 [0,2,0,0,0,0|0,0,0]=2 123 B8R1.2 c1cc(cnc1)CN AB00752 [0,2,0,0,0,0|0,0,0]=2 124 B8R1.2 c1cc(cnc1)NN AB42924 [0,2,0,0,0,0|0,0,0]=2 125 B8R1.2 c1cc(cnc1)NN PB18886 [0,2,0,0,0,0|0,0,0]=2 126 B8R1.2 c1cc(nnc1)C#N PB19049 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.2 c1cc(nnc1)C=O PB20119 [0,2,0,0,0,0|1,0,0]=3 128 B8R1.2 c1cc(nnc1)CCl PB28814 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.2 c1cc(nnc1)CN PB29341 [0,2,0,0,0,0|1,0,0]=3 130 B8R1.2 c1cc(nnc1)CO PB30818 [0,2,0,0,0,0|1,0,0]=3 131 B8R1.2 c1ccnc(c1)C=O AB00680 [0,2,0,0,0,0|0,0,0]=2 132 B8R1.2 c1ccnc(c1)CBr MB02148 [0,2,0,0,0,0|0,0,0]=2 133 B8R1.2 c1ccnc(c1)CCl AB22495 [0,2,0,0,0,0|0,0,0]=2 134 B8R1.2 c1ccnc(c1)CN AB00731 [0,2,0,0,0,0|0,0,0]=2 135 B8R1.2 c1cnc(cn1)C#N AB02102 [0,2,0,0,0,0|1,0,0]=3 136 B8R1.2 c1cnc(cn1)C=O PB19982 [0,2,0,0,0,0|1,0,0]=3 137 B8R1.2 c1cnc(cn1)CCl PB20483 [0,2,0,0,0,0|1,0,0]=3 138 B8R1.2 c1cnc(cn1)CN PB14180 [0,2,0,0,0,0|1,0,0]=3 139 B8R1.2 c1cnc(cn1)CO PB21779 [0,2,0,0,0,0|1,0,0]=3 140 B8R1.2 c1cnc(cn1)NN PB12798 [0,2,0,0,0,0|1,0,0]=3 141 B8R1.2 c1cnc(nc1)C#N PB27459 [0,2,0,0,0,0|1,0,0]=3 142 B8R1.2 c1cnc(nc1)C=O PB34235 [0,2,0,0,0,0|1,0,0]=3 143 B8R1.2 c1cnc(nc1)CCl PB20403 [0,2,0,0,0,0|1,0,0]=3 144 B8R1.2 c1cnc(nc1)CN CB11589 [0,2,0,0,0,0|1,0,0]=3 145 B8R1.2 c1cnc(nc1)CN PB23443 [0,2,0,0,0,0|1,0,0]=3 146 B8R1.2 c1cnc(nc1)CO PB12410 [0,2,0,0,0,0|1,0,0]=3 147 B8R1.2 c1cnc(nc1)NN PB10192 [0,2,0,0,0,0|1,0,0]=3 148 B8R1.2 c1cnccc1C=O AB00754 [0,2,0,0,0,0|0,0,0]=2 149 B8R1.2 c1cnccc1CCl AB15539 [0,2,0,0,0,0|0,0,0]=2 150 B8R1.2 c1cnccc1CN AB00767 [0,2,0,0,0,0|0,0,0]=2 151 B8R1.2 c1cnccc1NN PB27392 [0,2,0,0,0,0|0,0,0]=2 152 B8R1.2 c1cnccc1ON AB31585 [0,2,0,0,0,0|0,0,0]=2 153 B8R1.2 c1cncnc1C=O AB16150 [0,2,0,0,0,0|1,0,0]=3 154 B8R1.2 c1cncnc1CCl AB58895 [0,2,0,0,0,0|1,0,0]=3 155 B8R1.2 c1cncnc1CN PB10439 [0,2,0,0,0,0|1,0,0]=3 156 B8R1.2 c1cncnc1CO PB12296 [0,2,0,0,0,0|1,0,0]=3 157 B8R1.2 c1cnncc1C#N PB16131 [0,2,0,0,0,0|1,0,0]=3 158 B8R1.2 c1cnncc1C=O PB17346 [0,2,0,0,0,0|1,0,0]=3 159 B8R1.2 c1cnncc1CN PB31361 [0,2,0,0,0,0|1,0,0]=3 160 B8R1.2 c1cnncc1CO PB26178 [0,2,0,0,0,0|1,0,0]=3 161 B8R1.2 c1ncnc(n1)C=O AB60788 [0,2,0,0,0,0|2,0,0]=4 162 B8R1.2 c1ncnc(n1)CCl AB73492 [0,2,0,0,0,0|2,0,0]=4 163 B8R1.2 c1ncnc(n1)CN AB60787 [0,2,0,0,0,0|2,0,0]=4 164 B8R1.3 C1C=C(C=NC1=S)N AB31875 [0,2,0,0,0,0|0,0,1]=3 165 B8R1.3 Cc1ccc(=O)[nH]n1 PB21643 [0,2,0,0,0,0|1,0,0]=3 166 B8R1.3 Cc1ccc(cn1)Br AB06624 [0,2,0,0,0,0|0,0,0]=2 167 B8R1.3 Cc1ccc(cn1)Cl AB17956 [0,2,0,0,0,0|0,0,0]=2 168 B8R1.3 Cc1ccc(cn1)F PB18589 [0,2,0,0,0,0|0,0,0]=2 169 B8R1.3 Cc1ccc(cn1)N PB32227 [0,2,0,0,0,0|0,0,0]=2 170 B8R1.3 Cc1ccc(cn1)O PB30543 [0,2,0,0,0,0|0,0,0]=2 171 B8R1.3 Cc1ccc(nc1)Br PB17145 [0,2,0,0,0,0|0,0,0]=2 172 B8R1.3 Cc1ccc(nc1)Cl AB07104 [0,2,0,0,0,0|0,0,0]=2 173 B8R1.3 Cc1ccc(nc1)F AB01857 [0,2,0,0,0,0|0,0,0]=2 174 B8R1.3 Cc1ccc(nc1)N AB17938 [0,2,0,0,0,0|0,0,0]=2 175 B8R1.3 Cc1ccc(nc1)O AB13138 [0,2,0,0,0,0|0,0,0]=2 176 B8R1.3 Cc1ccc(nn1)Br PB26503 [0,2,0,0,0,0|1,0,0]=3 177 B8R1.3 Cc1ccc(nn1)Cl PB20885 [0,2,0,0,0,0|1,0,0]=3 178 B8R1.3 Cc1ccc(nn1)I PB11607 [0,2,0,0,0,0|1,0,0]=3 179 B8R1.3 Cc1ccc(nn1)N PB33947 [0,2,0,0,0,0|1,0,0]=3 180 B8R1.3 Cc1cnc(cn1)Br PB27954 [0,2,0,0,0,0|1,0,0]=3 181 B8R1.3 Cc1cnc(cn1)Cl AB02272 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.3 Cc1cnc(cn1)N PB32613 [0,2,0,0,0,0|1,0,0]=3 183 B8R1.3 Cc1cnc(nc1)Cl PB25116 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.3 Cc1cnc(nc1)N AB06143 [0,2,0,0,0,0|1,0,0]=3 185 B8R1.3 Cc1ncc(cn1)Br PB18804 [0,2,0,0,0,0|1,0,0]=3 186 B8R1.3 Cc1ncc(cn1)Cl AB56396 [0,2,0,0,0,0|1,0,0]=3 187 B8R1.3 Cc1ncc(cn1)N PB10666 [0,2,0,0,0,0|1,0,0]=3 188 B8R1.3 Cc1ncc(cn1)O AB54467 [0,2,0,0,0,0|1,0,0]=3 189 B8R1.3 c1c(cnc(n1)Br)F PB19026 [0,2,0,0,0,0|1,0,0]=3 190 B8R1.3 c1c(cnc(n1)Br)N PB24997 [0,2,0,0,0,0|1,0,0]=3 191 B8R1.3 c1c(cnc(n1)Br)O PB31459 [0,2,0,0,0,0|1,0,0]=3 192 B8R1.3 c1c(cnc(n1)Cl)Br PB21707 [0,2,0,0,0,0|1,0,0]=3 193 B8R1.3 c1c(cnc(n1)Cl)Cl PB33909 [0,2,0,0,0,0|1,0,0]=3 194 B8R1.3 c1c(cnc(n1)Cl)F PB15753 [0,2,0,0,0,0|1,0,0]=3 195 B8R1.3 c1c(cnc(n1)Cl)I AB23016 [0,2,0,0,0,0|1,0,0]=3 196 B8R1.3 c1c(cnc(n1)Cl)N PB21893 [0,2,0,0,0,0|1,0,0]=3 197 B8R1.3 c1c(cnc(n1)Cl)O PB12674 [0,2,0,0,0,0|1,0,0]=3 198 B8R1.3 c1c(cnc(n1)F)Br AB42957 [0,2,0,0,0,0|1,0,0]=3 199 B8R1.3 c1c(cnc(n1)I)Br PB12227 [0,2,0,0,0,0|1,0,0]=3 200 B8R1.3 c1c(cnc(n1)N)Br PB10032 [0,2,0,0,0,0|1,0,0]=3 201 B8R1.3 c1c(cnc(n1)N)Cl AB01163 [0,2,0,0,0,0|1,0,0]=3 202 B8R1.3 c1c(cnc(n1)N)O PB32565 [0,2,0,0,0,0|1,0,0]=3 203 B8R1.3 c1c(cnc(n1)O)Br AB05049 [0,2,0,0,0,0|1,0,0]=3 204 B8R1.3 c1c(cnc(n1)O)Cl AB03656 [0,2,0,0,0,0|1,0,0]=3 205 B8R1.3 c1c(ncc(n1)Br)Br PB17488 [0,2,0,0,0,0|1,0,0]=3 206 B8R1.3 c1c(ncc(n1)Br)Cl PB26374 [0,2,0,0,0,0|1,0,0]=3 207 B8R1.3 c1c(ncc(n1)Br)F MB14114 [0,2,0,0,0,0|1,0,0]=3 208 B8R1.3 c1c(ncc(n1)Br)N PB26019 [0,2,0,0,0,0|1,0,0]=3 209 B8R1.3 c1c(ncc(n1)Br)O PB26179 [0,2,0,0,0,0|1,0,0]=3 210 B8R1.3 c1c(ncc(n1)Cl)Cl PB21866 [0,2,0,0,0,0|1,0,0]=3 211 B8R1.3 c1c(ncc(n1)Cl)F AB50800 [0,2,0,0,0,0|1,0,0]=3 212 B8R1.3 c1c(ncc(n1)Cl)N PB14352 [0,2,0,0,0,0|1,0,0]=3 213 B8R1.3 c1c(ncc(n1)Cl)O MB09316 [0,2,0,0,0,0|1,0,0]=3 214 B8R1.3 c1c(ncc(n1)F)F AB85705 [0,2,0,0,0,0|1,0,0]=3 215 B8R1.3 c1c(ncc(n1)I)Br PB27853 [0,2,0,0,0,0|1,0,0]=3 216 B8R1.3 c1c(ncc(n1)I)Cl AB54777 [0,2,0,0,0,0|1,0,0]=3 217 B8R1.3 c1c(ncc(n1)N)N AB53076 [0,2,0,0,0,0|1,0,0]=3 218 B8R1.3 c1c(ncc(n1)O)O AB44015 [0,2,0,0,0,0|1,0,0]=3 219 B8R1.3 c1c(nnc(n1)Cl)Br AB72404 [0,2,0,0,0,0|2,0,0]=4 220 B8R1.3 c1c(nnc(n1)Cl)Cl AB85254 [0,2,0,0,0,0|2,0,0]=4 221 B8R1.3 c1c(nnc(n1)N)Br AB71547 [0,2,0,0,0,0|2,0,0]=4 222 B8R1.3 c1c[n+](ccc1F)[O-] PB19565 [0,2,0,0,0,0|0,0,1]=3 223 B8R1.3 c1cc(ncc1Br)Br AB00634 [0,2,0,0,0,0|0,0,0]=2 224 B8R1.3 c1cc(ncc1Br)Cl AB08767 [0,2,0,0,0,0|0,0,0]=2 225 B8R1.3 c1cc(ncc1Br)F PB30707 [0,2,0,0,0,0|0,0,0]=2 226 B8R1.3 c1cc(ncc1Br)N PB30536 [0,2,0,0,0,0|0,0,0]=2 227 B8R1.3 c1cc(ncc1Br)O AB05097 [0,2,0,0,0,0|0,0,0]=2 228 B8R1.3 c1cc(ncc1Br)S AB51097 [0,2,0,0,0,0|0,0,0]=2 229 B8R1.3 c1cc(ncc1Cl)Br AB05069 [0,2,0,0,0,0|0,0,0]=2 230 B8R1.3 c1cc(ncc1Cl)Cl AB00654 [0,2,0,0,0,0|0,0,0]=2 231 B8R1.3 c1cc(ncc1Cl)F AB17577 [0,2,0,0,0,0|0,0,0]=2 232 B8R1.3 c1cc(ncc1Cl)I AB32114 [0,2,0,0,0,0|0,0,0]=2 233 B8R1.3 c1cc(ncc1Cl)N AB00712 [0,2,0,0,0,0|0,0,0]=2 234 B8R1.3 c1cc(ncc1F)Br PB17160 [0,2,0,0,0,0|0,0,0]=2 235 B8R1.3 c1cc(ncc1F)I AB42989 [0,2,0,0,0,0|0,0,0]=2 236 B8R1.3 c1cc(ncc1F)N AB10107 [0,2,0,0,0,0|0,0,0]=2 237 B8R1.3 c1cc(ncc1I)Br PB14333 [0,2,0,0,0,0|0,0,0]=2 238 B8R1.3 c1cc(ncc1I)Cl AB10394 [0,2,0,0,0,0|0,0,0]=2 239 B8R1.3 c1cc(ncc1I)N PB25985 [0,2,0,0,0,0|0,0,0]=2 240 B8R1.3 c1cc(ncc1I)O AB05112 [0,2,0,0,0,0|0,0,0]=2 241 B8R1.3 c1cc(ncc1N)Br PB17224 [0,2,0,0,0,0|0,0,0]=2 242 B8R1.3 c1cc(ncc1N)Cl AB00661 [0,2,0,0,0,0|0,0,0]=2 243 B8R1.3 c1cc(ncc1N)F PB33962 [0,2,0,0,0,0|0,0,0]=2 244 B8R1.3 c1cc(ncc1N)O AB15078 [0,2,0,0,0,0|0,0,0]=2 245 B8R1.3 c1cc(ncc1O)Br PB15771 [0,2,0,0,0,0|0,0,0]=2 246 B8R1.3 c1cc(ncc1O)Cl PB32188 [0,2,0,0,0,0|0,0,0]=2 247 B8R1.3 c1cc(ncc1O)F AB08123 [0,2,0,0,0,0|0,0,0]=2 248 B8R1.3 c1cc(ncc1O)I AB50021 [0,2,0,0,0,0|0,0,0]=2 249 B8R1.3 c1cc(ncc1O)N AB15563 [0,2,0,0,0,0|0,0,0]=2 250 B8R1.3 c1cc(nnc1Br)Br PB10150 [0,2,0,0,0,0|1,0,0]=3 251 B8R1.3 c1cc(nnc1Cl)I PB14577 [0,2,0,0,0,0|1,0,0]=3 252 B8R1.3 c1cc(nnc1N)Br PB12750 [0,2,0,0,0,0|1,0,0]=3 253 B8R1.3 c1cc(nnc1N)Cl PB30569 [0,2,0,0,0,0|1,0,0]=3 254 B8R1.3 c1cc(nnc1N)I PB29756 [0,2,0,0,0,0|1,0,0]=3 255 B8R1.3 c1cc(nnc1O)Cl PB29050 [0,2,0,0,0,0|1,0,0]=3 256 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,2,0,0,0,0|0,0,1]=3 257 B8R1.4 C1C(=CN=NC1=O)I PB18920 [0,2,0,0,0,0|1,0,1]=4 258 B8R1.4 C1C(=CN=NC1=O)N PB19162 [0,2,0,0,0,0|1,0,1]=4 259 B8R1.4 C1C=NC(=NC1=O)N PB29007 [0,2,0,0,0,0|1,0,1]=4 260 B8R1.4 Cc1cc(ccn1)Br AB17599 [0,2,0,0,0,0|0,0,0]=2 261 B8R1.4 Cc1cc(ccn1)Br PB26077 [0,2,0,0,0,0|0,0,0]=2 262 B8R1.4 Cc1cc(ccn1)Cl AB01756 [0,2,0,0,0,0|0,0,0]=2 263 B8R1.4 Cc1cc(ccn1)F AB17919 [0,2,0,0,0,0|0,0,0]=2 264 B8R1.4 Cc1cc(ccn1)O PB24839 [0,2,0,0,0,0|0,0,0]=2 265 B8R1.4 Cc1cc(cnc1)Br AB09597 [0,2,0,0,0,0|0,0,0]=2 266 B8R1.4 Cc1cc(cnc1)Cl AB17994 [0,2,0,0,0,0|0,0,0]=2 267 B8R1.4 Cc1cc(cnc1)F AB13643 [0,2,0,0,0,0|0,0,0]=2 268 B8R1.4 Cc1cc(cnc1)N AB17573 [0,2,0,0,0,0|0,0,0]=2 269 B8R1.4 Cc1cc(cnc1)O MB01362 [0,2,0,0,0,0|0,0,0]=2 270 B8R1.4 Cc1cc(cnn1)N MB11385 [0,2,0,0,0,0|1,0,0]=3 271 B8R1.4 Cc1cc(ncn1)C PB24534 [0,2,0,0,0,0|1,0,0]=3 272 B8R1.4 Cc1cc(ncn1)Cl PB29204 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.4 Cc1cc(ncn1)N PB12118 [0,2,0,0,0,0|1,0,0]=3 274 B8R1.4 Cc1cc(nnc1)Cl PB14716 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.4 Cc1cc(nnc1)N AB61142 [0,2,0,0,0,0|1,0,0]=3 276 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,2,0,0,0,0|1,0,0]=3 277 B8R1.4 Cc1cccc(n1)Br AB01812 [0,2,0,0,0,0|0,0,0]=2 278 B8R1.4 Cc1cccc(n1)Cl AB00666 [0,2,0,0,0,0|0,0,0]=2 279 B8R1.4 Cc1cccc(n1)F AB01860 [0,2,0,0,0,0|0,0,0]=2 280 B8R1.4 Cc1cccc(n1)N AB00717 [0,2,0,0,0,0|0,0,0]=2 281 B8R1.4 Cc1cccc(n1)O AB00679 [0,2,0,0,0,0|0,0,0]=2 282 B8R1.4 Cc1cccc(n1)S AB25230 [0,2,0,0,0,0|0,0,0]=2 283 B8R1.4 Cc1ccnc(c1)Br AB03099 [0,2,0,0,0,0|0,0,0]=2 284 B8R1.4 Cc1ccnc(c1)Cl PB10051 [0,2,0,0,0,0|0,0,0]=2 285 B8R1.4 Cc1ccnc(c1)F AB01854 [0,2,0,0,0,0|0,0,0]=2 286 B8R1.4 Cc1ccnc(c1)N AB00703 [0,2,0,0,0,0|0,0,0]=2 287 B8R1.4 Cc1ccnc(c1)O AB03735 [0,2,0,0,0,0|0,0,0]=2 288 B8R1.4 Cc1ccnc(n1)Cl PB14106 [0,2,0,0,0,0|1,0,0]=3 289 B8R1.4 Cc1ccnc(n1)N MB00179 [0,2,0,0,0,0|1,0,0]=3 290 B8R1.4 Cc1cncc(n1)Br AB48617 [0,2,0,0,0,0|1,0,0]=3 291 B8R1.4 Cc1cncc(n1)Cl AB02267 [0,2,0,0,0,0|1,0,0]=3 292 B8R1.4 Cc1cncc(n1)N AB43812 [0,2,0,0,0,0|1,0,0]=3 293 B8R1.4 Cc1cnnc(n1)Cl AB85248 [0,2,0,0,0,0|2,0,0]=4 294 B8R1.4 Cc1nc(cnn1)Cl AB66817 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.4 Cc1nccc(n1)Cl PB30633 [0,2,0,0,0,0|1,0,0]=3 296 B8R1.4 Cc1nccc(n1)N AB06587 [0,2,0,0,0,0|1,0,0]=3 297 B8R1.4 c1c(cncc1Br)Br AB01172 [0,2,0,0,0,0|0,0,0]=2 298 B8R1.4 c1c(cncc1Br)Cl AB18001 [0,2,0,0,0,0|0,0,0]=2 299 B8R1.4 c1c(cncc1Br)N PB12251 [0,2,0,0,0,0|0,0,0]=2 300 B8R1.4 c1c(cncc1Br)O PB30658 [0,2,0,0,0,0|0,0,0]=2 301 B8R1.4 c1c(cncc1Cl)Cl AB00743 [0,2,0,0,0,0|0,0,0]=2 302 B8R1.4 c1c(cncc1Cl)F AB21896 [0,2,0,0,0,0|0,0,0]=2 303 B8R1.4 c1c(cncc1Cl)N AB15758 [0,2,0,0,0,0|0,0,0]=2 304 B8R1.4 c1c(cncc1F)F AB14383 [0,2,0,0,0,0|0,0,0]=2 305 B8R1.4 c1c(cncc1F)N AB05123 [0,2,0,0,0,0|0,0,0]=2 306 B8R1.4 c1c(cncc1F)O AB13569 [0,2,0,0,0,0|0,0,0]=2 307 B8R1.4 c1c(cncc1I)Br AB13102 [0,2,0,0,0,0|0,0,0]=2 308 B8R1.4 c1c(cncc1I)Cl AB43784 [0,2,0,0,0,0|0,0,0]=2 309 B8R1.4 c1c(cncc1I)F AB45557 [0,2,0,0,0,0|0,0,0]=2 310 B8R1.4 c1c(cncc1I)I PB19957 [0,2,0,0,0,0|0,0,0]=2 311 B8R1.4 c1c(cncc1I)N AB43802 [0,2,0,0,0,0|0,0,0]=2 312 B8R1.4 c1c(cncc1N)N AB07746 [0,2,0,0,0,0|0,0,0]=2 313 B8R1.4 c1c(cncc1O)N AB17983 [0,2,0,0,0,0|0,0,0]=2 314 B8R1.4 c1c(cncc1O)O MB02073 [0,2,0,0,0,0|0,0,0]=2 315 B8R1.4 c1c(cnnc1Br)Br AB70143 [0,2,0,0,0,0|1,0,0]=3 316 B8R1.4 c1c(cnnc1Cl)Br AB70142 [0,2,0,0,0,0|1,0,0]=3 317 B8R1.4 c1c(cnnc1Cl)Cl AB61136 [0,2,0,0,0,0|1,0,0]=3 318 B8R1.4 c1c(cnnc1Cl)N PB20792 [0,2,0,0,0,0|1,0,0]=3 319 B8R1.4 c1c(cnnc1N)Cl PB15393 [0,2,0,0,0,0|1,0,0]=3 320 B8R1.4 c1c(cnnc1O)Cl AB61137 [0,2,0,0,0,0|1,0,0]=3 321 B8R1.4 c1c(nc(cn1)Br)Br AB52791 [0,2,0,0,0,0|1,0,0]=3 322 B8R1.4 c1c(nc(cn1)Br)Cl AB48957 [0,2,0,0,0,0|1,0,0]=3 323 B8R1.4 c1c(nc(cn1)Br)F MB14129 [0,2,0,0,0,0|1,0,0]=3 324 B8R1.4 c1c(nc(cn1)Br)N AB60541 [0,2,0,0,0,0|1,0,0]=3 325 B8R1.4 c1c(nc(cn1)Cl)Cl PB14072 [0,2,0,0,0,0|1,0,0]=3 326 B8R1.4 c1c(nc(cn1)Cl)F MB14158 [0,2,0,0,0,0|1,0,0]=3 327 B8R1.4 c1c(nc(cn1)Cl)N PB12992 [0,2,0,0,0,0|1,0,0]=3 328 B8R1.4 c1c(nc(cn1)Cl)O MB00903 [0,2,0,0,0,0|1,0,0]=3 329 B8R1.4 c1c(nc(nn1)Cl)Cl AB65511 [0,2,0,0,0,0|2,0,0]=4 330 B8R1.4 c1c(nc(nn1)Cl)N AB71508 [0,2,0,0,0,0|2,0,0]=4 331 B8R1.4 c1c(ncnc1Br)Br PB17157 [0,2,0,0,0,0|1,0,0]=3 332 B8R1.4 c1c(ncnc1Br)Cl AB48958 [0,2,0,0,0,0|1,0,0]=3 333 B8R1.4 c1c(ncnc1Br)F MB14209 [0,2,0,0,0,0|1,0,0]=3 334 B8R1.4 c1c(ncnc1Br)N MB00979 [0,2,0,0,0,0|1,0,0]=3 335 B8R1.4 c1c(ncnc1Cl)Cl AB00591 [0,2,0,0,0,0|1,0,0]=3 336 B8R1.4 c1c(ncnc1Cl)N PB24577 [0,2,0,0,0,0|1,0,0]=3 337 B8R1.4 c1c(ncnc1Cl)O AB05055 [0,2,0,0,0,0|1,0,0]=3 338 B8R1.4 c1c(ncnc1I)Cl AB66284 [0,2,0,0,0,0|1,0,0]=3 339 B8R1.4 c1c(ncnc1O)N AB02119 [0,2,0,0,0,0|1,0,0]=3 340 B8R1.4 c1cc(c[n+](c1)[O-])Br AB09548 [0,2,0,0,0,0|0,0,1]=3 341 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [0,2,0,0,0,0|0,0,0]=2 342 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [0,2,0,0,0,0|0,0,0]=2 343 B8R1.4 c1cc(nc(c1)Br)F AB13626 [0,2,0,0,0,0|0,0,0]=2 344 B8R1.4 c1cc(nc(c1)Br)N PB32140 [0,2,0,0,0,0|0,0,0]=2 345 B8R1.4 c1cc(nc(c1)Br)O AB05100 [0,2,0,0,0,0|0,0,0]=2 346 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [0,2,0,0,0,0|0,0,0]=2 347 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [0,2,0,0,0,0|0,0,0]=2 348 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [0,2,0,0,0,0|0,0,0]=2 349 B8R1.4 c1cc(nc(c1)F)N AB17974 [0,2,0,0,0,0|0,0,0]=2 350 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [0,2,0,0,0,0|0,0,0]=2 351 B8R1.4 c1cc(nc(c1)I)I AB31088 [0,2,0,0,0,0|0,0,0]=2 352 B8R1.4 c1cc(nc(c1)I)N AB42508 [0,2,0,0,0,0|0,0,0]=2 353 B8R1.4 c1cnc(cc1Br)Br PB10210 [0,2,0,0,0,0|0,0,0]=2 354 B8R1.4 c1cnc(cc1Br)Cl AB16617 [0,2,0,0,0,0|0,0,0]=2 355 B8R1.4 c1cnc(cc1Br)F AB17567 [0,2,0,0,0,0|0,0,0]=2 356 B8R1.4 c1cnc(cc1Br)I AB31627 [0,2,0,0,0,0|0,0,0]=2 357 B8R1.4 c1cnc(cc1Br)N PB12936 [0,2,0,0,0,0|0,0,0]=2 358 B8R1.4 c1cnc(cc1Cl)Br PB23373 [0,2,0,0,0,0|0,0,0]=2 359 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [0,2,0,0,0,0|0,0,0]=2 360 B8R1.4 c1cnc(cc1Cl)F AB17564 [0,2,0,0,0,0|0,0,0]=2 361 B8R1.4 c1cnc(cc1Cl)N PB32361 [0,2,0,0,0,0|0,0,0]=2 362 B8R1.4 c1cnc(cc1Cl)O AB13188 [0,2,0,0,0,0|0,0,0]=2 363 B8R1.4 c1cnc(cc1F)Br AB50032 [0,2,0,0,0,0|0,0,0]=2 364 B8R1.4 c1cnc(cc1F)Cl AB17349 [0,2,0,0,0,0|0,0,0]=2 365 B8R1.4 c1cnc(cc1F)F PB26122 [0,2,0,0,0,0|0,0,0]=2 366 B8R1.4 c1cnc(cc1F)N AB50025 [0,2,0,0,0,0|0,0,0]=2 367 B8R1.4 c1cnc(cc1I)Br PB29229 [0,2,0,0,0,0|0,0,0]=2 368 B8R1.4 c1cnc(cc1I)Cl PB17253 [0,2,0,0,0,0|0,0,0]=2 369 B8R1.4 c1cnc(cc1I)F PB12274 [0,2,0,0,0,0|0,0,0]=2 370 B8R1.4 c1cnc(cc1I)N PB10642 [0,2,0,0,0,0|0,0,0]=2 371 B8R1.4 c1cnc(cc1N)Br PB30686 [0,2,0,0,0,0|0,0,0]=2 372 B8R1.4 c1cnc(cc1N)Cl PB24583 [0,2,0,0,0,0|0,0,0]=2 373 B8R1.4 c1cnc(cc1N)F PB21208 [0,2,0,0,0,0|0,0,0]=2 374 B8R1.4 c1cnc(cc1N)O PB15716 [0,2,0,0,0,0|0,0,0]=2 375 B8R1.4 c1cnc(cc1O)Br AB05095 [0,2,0,0,0,0|0,0,0]=2 376 B8R1.4 c1cnc(cc1O)Cl AB09576 [0,2,0,0,0,0|0,0,0]=2 377 B8R1.4 c1cnc(cc1O)F AB17930 [0,2,0,0,0,0|0,0,0]=2 378 B8R1.4 c1cnc(cc1O)I MB26582 [0,2,0,0,0,0|0,0,0]=2 379 B8R1.4 c1cnc(cc1O)N AB17934 [0,2,0,0,0,0|0,0,0]=2 380 B8R1.4 c1cnc(nc1Br)Br PB17395 [0,2,0,0,0,0|1,0,0]=3 381 B8R1.4 c1cnc(nc1Br)F MB14189 [0,2,0,0,0,0|1,0,0]=3 382 B8R1.4 c1cnc(nc1Br)N PB13233 [0,2,0,0,0,0|1,0,0]=3 383 B8R1.4 c1cnc(nc1Cl)Br MB10108 [0,2,0,0,0,0|1,0,0]=3 384 B8R1.4 c1cnc(nc1Cl)Cl AB00576 [0,2,0,0,0,0|1,0,0]=3 385 B8R1.4 c1cnc(nc1Cl)N PB21638 [0,2,0,0,0,0|1,0,0]=3 386 B8R1.4 c1cnc(nc1Cl)O AB68453 [0,2,0,0,0,0|1,0,0]=3 387 B8R1.4 c1cnc(nc1F)Br MB14089 [0,2,0,0,0,0|1,0,0]=3 388 B8R1.4 c1cnc(nc1N)Br MB09311 [0,2,0,0,0,0|1,0,0]=3 389 B8R1.4 c1cnc(nc1N)Cl PB14147 [0,2,0,0,0,0|1,0,0]=3 390 B8R1.4 c1nc(nc(n1)Cl)Cl PB20114 [0,2,0,0,0,0|2,0,0]=4 391 B8R1.5 C1=NC(C(=O)N=C1)N AB51505 [0,2,0,0,0,0|1,0,1]=4 392 B8R1.5 C1CC=C(C(=C1)O)Cl AB31829 [0,2,0,0,0,0|1,0,1]=4 393 B8R1.5 CC1C=CN=NC1=O PB32620 [0,2,0,0,0,0|1,0,1]=4 394 B8R1.5 Cc1c(cccn1)Br PB27472 [0,2,0,0,0,0|0,0,0]=2 395 B8R1.5 Cc1c(cccn1)Cl AB17903 [0,2,0,0,0,0|0,0,0]=2 396 B8R1.5 Cc1c(cccn1)F AB48604 [0,2,0,0,0,0|0,0,0]=2 397 B8R1.5 Cc1c(cccn1)N PB33695 [0,2,0,0,0,0|0,0,0]=2 398 B8R1.5 Cc1c(cccn1)O PB18442 [0,2,0,0,0,0|0,0,0]=2 399 B8R1.5 Cc1c(ccnn1)N MB11382 [0,2,0,0,0,0|1,0,0]=3 400 B8R1.5 Cc1c(cncn1)Br PB26552 [0,2,0,0,0,0|1,0,0]=3 401 B8R1.5 Cc1c(cncn1)N PB26435 [0,2,0,0,0,0|1,0,0]=3 402 B8R1.5 Cc1c(nccn1)Br PB10597 [0,2,0,0,0,0|1,0,0]=3 403 B8R1.5 Cc1c(nccn1)Cl PB18413 [0,2,0,0,0,0|1,0,0]=3 404 B8R1.5 Cc1c(nccn1)I PB26409 [0,2,0,0,0,0|1,0,0]=3 405 B8R1.5 Cc1c(nccn1)N PB32667 [0,2,0,0,0,0|1,0,0]=3 406 B8R1.5 Cc1c(nccn1)O PB12942 [0,2,0,0,0,0|1,0,0]=3 407 B8R1.5 Cc1cccnc1Br AB05448 [0,2,0,0,0,0|0,0,0]=2 408 B8R1.5 Cc1cccnc1Cl AB05179 [0,2,0,0,0,0|0,0,0]=2 409 B8R1.5 Cc1cccnc1N AB17908 [0,2,0,0,0,0|0,0,0]=2 410 B8R1.5 Cc1cccnc1O AB03538 [0,2,0,0,0,0|0,0,0]=2 411 B8R1.5 Cc1ccncc1Br AB03104 [0,2,0,0,0,0|0,0,0]=2 412 B8R1.5 Cc1ccncc1Cl AB18019 [0,2,0,0,0,0|0,0,0]=2 413 B8R1.5 Cc1ccncc1F AB18002 [0,2,0,0,0,0|0,0,0]=2 414 B8R1.5 Cc1ccncc1N PB14127 [0,2,0,0,0,0|0,0,0]=2 415 B8R1.5 Cc1ccncc1O PB23391 [0,2,0,0,0,0|0,0,0]=2 416 B8R1.5 Cc1ccnnc1Cl PB34304 [0,2,0,0,0,0|1,0,0]=3 417 B8R1.5 Cc1ccnnc1N MB06298 [0,2,0,0,0,0|1,0,0]=3 418 B8R1.5 Cc1cnccc1Br AB20846 [0,2,0,0,0,0|0,0,0]=2 419 B8R1.5 Cc1cnccc1Br PB23248 [0,2,0,0,0,0|0,0,0]=2 420 B8R1.5 Cc1cnccc1Cl AB11511 [0,2,0,0,0,0|0,0,0]=2 421 B8R1.5 Cc1cnccc1F AB18013 [0,2,0,0,0,0|0,0,0]=2 422 B8R1.5 Cc1cnccc1N PB17234 [0,2,0,0,0,0|0,0,0]=2 423 B8R1.5 Cc1cncnc1Cl AB44072 [0,2,0,0,0,0|1,0,0]=3 424 B8R1.5 Cc1cncnc1N AB54983 [0,2,0,0,0,0|1,0,0]=3 425 B8R1.5 Cc1cncnc1O AB09558 [0,2,0,0,0,0|1,0,0]=3 426 B8R1.5 Cc1cnncc1N MB11384 [0,2,0,0,0,0|1,0,0]=3 427 B8R1.5 c1c(c(ncn1)Br)N MB08406 [0,2,0,0,0,0|1,0,0]=3 428 B8R1.5 c1c(c(ncn1)Cl)Br PB14722 [0,2,0,0,0,0|1,0,0]=3 429 B8R1.5 c1c(c(ncn1)Cl)Cl PB28007 [0,2,0,0,0,0|1,0,0]=3 430 B8R1.5 c1c(c(ncn1)Cl)F AB51357 [0,2,0,0,0,0|1,0,0]=3 431 B8R1.5 c1c(c(ncn1)Cl)I PB23589 [0,2,0,0,0,0|1,0,0]=3 432 B8R1.5 c1c(c(ncn1)I)Br PB11068 [0,2,0,0,0,0|1,0,0]=3 433 B8R1.5 c1c(c(ncn1)N)Br MB00976 [0,2,0,0,0,0|1,0,0]=3 434 B8R1.5 c1c(c(ncn1)N)N AB00594 [0,2,0,0,0,0|1,0,0]=3 435 B8R1.5 c1c(c(ncn1)O)Br PB32183 [0,2,0,0,0,0|1,0,0]=3 436 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [0,2,0,0,0,0|1,0,0]=3 437 B8R1.5 c1c(c(ncn1)O)I PB34035 [0,2,0,0,0,0|1,0,0]=3 438 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [0,2,0,0,0,0|0,0,0]=2 439 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [0,2,0,0,0,0|0,0,0]=2 440 B8R1.5 c1cc(c(nc1)Br)F PB14380 [0,2,0,0,0,0|0,0,0]=2 441 B8R1.5 c1cc(c(nc1)Br)I MB06974 [0,2,0,0,0,0|0,0,0]=2 442 B8R1.5 c1cc(c(nc1)Br)N AB17900 [0,2,0,0,0,0|0,0,0]=2 443 B8R1.5 c1cc(c(nc1)Br)N PB26005 [0,2,0,0,0,0|0,0,0]=2 444 B8R1.5 c1cc(c(nc1)Br)O PB28951 [0,2,0,0,0,0|0,0,0]=2 445 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [0,2,0,0,0,0|0,0,0]=2 446 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [0,2,0,0,0,0|0,0,0]=2 447 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [0,2,0,0,0,0|0,0,0]=2 448 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [0,2,0,0,0,0|0,0,0]=2 449 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [0,2,0,0,0,0|0,0,0]=2 450 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [0,2,0,0,0,0|0,0,0]=2 451 B8R1.5 c1cc(c(nc1)F)I AB13652 [0,2,0,0,0,0|0,0,0]=2 452 B8R1.5 c1cc(c(nc1)F)N AB17917 [0,2,0,0,0,0|0,0,0]=2 453 B8R1.5 c1cc(c(nc1)I)Br AB45745 [0,2,0,0,0,0|0,0,0]=2 454 B8R1.5 c1cc(c(nc1)I)F AB13656 [0,2,0,0,0,0|0,0,0]=2 455 B8R1.5 c1cc(c(nc1)I)I AB25846 [0,2,0,0,0,0|0,0,0]=2 456 B8R1.5 c1cc(c(nc1)I)O MB00322 [0,2,0,0,0,0|0,0,0]=2 457 B8R1.5 c1cc(c(nc1)N)Br PB20016 [0,2,0,0,0,0|0,0,0]=2 458 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [0,2,0,0,0,0|0,0,0]=2 459 B8R1.5 c1cc(c(nc1)N)F AB17912 [0,2,0,0,0,0|0,0,0]=2 460 B8R1.5 c1cc(c(nc1)N)I PB12756 [0,2,0,0,0,0|0,0,0]=2 461 B8R1.5 c1cc(c(nc1)N)O AB00700 [0,2,0,0,0,0|0,0,0]=2 462 B8R1.5 c1cc(c(nc1)N)O AB17906 [0,2,0,0,0,0|0,0,0]=2 463 B8R1.5 c1cc(c(nc1)N)S AB64540 [0,2,0,0,0,0|0,0,0]=2 464 B8R1.5 c1cc(c(nc1)O)Br PB12284 [0,2,0,0,0,0|0,0,0]=2 465 B8R1.5 c1cc(c(nc1)O)F AB13427 [0,2,0,0,0,0|0,0,0]=2 466 B8R1.5 c1cc(c(nc1)O)I AB53303 [0,2,0,0,0,0|0,0,0]=2 467 B8R1.5 c1cc(c(nc1)O)N PB30752 [0,2,0,0,0,0|0,0,0]=2 468 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [0,2,0,0,0,0|0,0,1]=3 469 B8R1.5 c1cn[nH]c(=O)c1Cl PB31005 [0,2,0,0,0,0|1,0,0]=3 470 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [0,2,0,0,0,0|1,0,0]=3 471 B8R1.5 c1cnc(c(n1)N)Br MB08183 [0,2,0,0,0,0|1,0,0]=3 472 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [0,2,0,0,0,0|1,0,0]=3 473 B8R1.5 c1cnc(c(n1)N)N PB10452 [0,2,0,0,0,0|1,0,0]=3 474 B8R1.5 c1cncc(c1Br)Br AB05087 [0,2,0,0,0,0|0,0,0]=2 475 B8R1.5 c1cncc(c1Br)Cl AB17643 [0,2,0,0,0,0|0,0,0]=2 476 B8R1.5 c1cncc(c1Br)F PB23387 [0,2,0,0,0,0|0,0,0]=2 477 B8R1.5 c1cncc(c1Br)N AB17638 [0,2,0,0,0,0|0,0,0]=2 478 B8R1.5 c1cncc(c1Br)O AB13187 [0,2,0,0,0,0|0,0,0]=2 479 B8R1.5 c1cncc(c1Cl)Br AB05074 [0,2,0,0,0,0|0,0,0]=2 480 B8R1.5 c1cncc(c1Cl)Cl AB10192 [0,2,0,0,0,0|0,0,0]=2 481 B8R1.5 c1cncc(c1Cl)F AB15511 [0,2,0,0,0,0|0,0,0]=2 482 B8R1.5 c1cncc(c1Cl)I AB05089 [0,2,0,0,0,0|0,0,0]=2 483 B8R1.5 c1cncc(c1Cl)N AB05299 [0,2,0,0,0,0|0,0,0]=2 484 B8R1.5 c1cncc(c1Cl)O AB12281 [0,2,0,0,0,0|0,0,0]=2 485 B8R1.5 c1cncc(c1F)Br AB17892 [0,2,0,0,0,0|0,0,0]=2 486 B8R1.5 c1cncc(c1F)Cl AB21349 [0,2,0,0,0,0|0,0,0]=2 487 B8R1.5 c1cncc(c1F)F AB18023 [0,2,0,0,0,0|0,0,0]=2 488 B8R1.5 c1cncc(c1F)N AB50028 [0,2,0,0,0,0|0,0,0]=2 489 B8R1.5 c1cncc(c1F)O AB64515 [0,2,0,0,0,0|0,0,0]=2 490 B8R1.5 c1cncc(c1I)F PB21191 [0,2,0,0,0,0|0,0,0]=2 491 B8R1.5 c1cncc(c1I)N PB23406 [0,2,0,0,0,0|0,0,0]=2 492 B8R1.5 c1cncc(c1I)O MB06807 [0,2,0,0,0,0|0,0,0]=2 493 B8R1.5 c1cncc(c1N)Br AB28611 [0,2,0,0,0,0|0,0,0]=2 494 B8R1.5 c1cncc(c1N)Cl AB16891 [0,2,0,0,0,0|0,0,0]=2 495 B8R1.5 c1cncc(c1N)F PB33879 [0,2,0,0,0,0|0,0,0]=2 496 B8R1.5 c1cncc(c1N)I AB12095 [0,2,0,0,0,0|0,0,0]=2 497 B8R1.5 c1cncc(c1O)Br AB09574 [0,2,0,0,0,0|0,0,0]=2 498 B8R1.5 c1cncc(c1O)F AB18011 [0,2,0,0,0,0|0,0,0]=2 499 B8R1.5 c1cnnc(c1Br)Cl AB77054 [0,2,0,0,0,0|1,0,0]=3 500 B8R1.5 c1cnnc(c1Br)O AB77052 [0,2,0,0,0,0|1,0,0]=3 501 B8R1.5 c1cnnc(c1Cl)Cl PB30392 [0,2,0,0,0,0|1,0,0]=3