0 B7R1.4 CC1=C(C=NC1)C PB27606 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.4 CC1=C(N=NC1)Br PB11022 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.4 CC1=C(N=NC1)N AB44283 [0,0,0,0,0,0|4,0,0]=4 3 B7R1.4 CC1=C(N=NC1)N AB72239 [0,0,0,0,0,0|4,0,0]=4 4 B7R1.4 CC1=NC=NC1Br AB26578 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.4 CC1=NC=NC1N MB11358 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.4 CC1=NN=CC1Br CB10025 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.4 CC1=NN=CC1N MB09907 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.4 CC1C(=NC=N1)C AB09621 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.4 Cc1c(cco1)N AB71442 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.4 Cc1c(cno1)N MB10128 [0,0,0,0,0,0|2,0,0]=2 11 B7R1.4 Cc1c(con1)N MB11367 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.4 Cc1c(nco1)N MB11380 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.4 Cc1c(ocn1)C AB63543 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.4 Cc1c(ocn1)N MB11381 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.4 Cc1ccsc1Br PB25943 [0,0,0,0,0,0|2,1,0]=3 16 B7R1.4 Cc1cnoc1N MB11360 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.4 Cc1conc1N MB11363 [0,0,0,0,0,0|4,0,0]=4 18 B7R1.4 Cc1nccn1N AB44383 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.4 Cn1c(ccn1)N PB33809 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.4 Cn1c(cnn1)Br AB69597 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.4 Cn1c(cnn1)I AB69606 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.4 Cn1ccnc1Br AB11315 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.4 Cn1ccnc1Cl AB11324 [0,0,0,0,0,0|4,0,0]=4 24 B7R1.4 Cn1ccnc1I PB32223 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.4 Cn1ccnc1N AB59774 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.4 Cn1cncc1Br AB09509 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.4 Cn1cncc1I PB12244 [0,0,0,0,0,0|4,0,0]=4 28 B7R1.4 c1[nH]c(c(n1)Br)Br AB03286 [0,0,0,0,0,0|4,0,0]=4 29 B7R1.4 c1[nH]c(c(n1)I)I AB07820 [0,0,0,0,0,0|4,0,0]=4 30 B7R1.4 c1c(c(cs1)Br)Br AB00432 [0,0,0,0,0,0|4,0,0]=4 31 B7R1.4 c1coc(c1N)Br AB71394 [0,0,0,0,0,0|2,0,0]=2 32 B6R1.2 C1=NC(=O)N=C1 AB01798 [1,0,0,0,0,0|3,0,0]=4 33 B6R1.2 C1C=C(CO1)I AB84905 [1,0,0,0,0,0|1,0,2]=4 34 B6R1.2 C1C=NC(=N1)S AB00386 [1,0,0,0,0,0|3,0,0]=4 35 B6R1.2 CC1=CCCO1 AB00300 [1,0,0,0,0,0|0,0,2]=3 36 B6R1.2 CC1=CN=CC1 PB12076 [1,0,0,0,0,0|2,0,0]=3 37 B6R1.2 CC1=CN=NC1 AB00390 [1,0,0,0,0,0|3,0,0]=4 38 B6R1.2 CC1=NC=CC1 AB12705 [1,0,0,0,0,0|1,0,1]=3 39 B6R1.2 Cc1ccon1 AB01288 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.2 Cc1cocn1 AB63545 [1,0,0,0,0,0|2,0,0]=3 41 B6R1.2 Cn1cccn1 PB33818 [1,0,0,0,0,0|2,0,0]=3 42 B6R1.2 Cn1ccnn1 AB51214 [1,0,0,0,0,0|3,0,0]=4 43 B6R1.2 c1c(con1)Br AB11359 [1,0,0,0,0,0|2,0,0]=3 44 B6R1.2 c1c(con1)F AB68759 [1,0,0,0,0,0|2,0,0]=3 45 B6R1.2 c1c(con1)N AB43605 [1,0,0,0,0,0|2,0,0]=3 46 B6R1.2 c1c(csn1)Br AB25618 [1,0,0,0,0,0|2,1,0]=4 47 B6R1.2 c1c(csn1)N AB11898 [1,0,0,0,0,0|2,1,0]=4 48 B6R1.2 c1c(nco1)Br AB71589 [1,0,0,0,0,0|2,0,0]=3 49 B6R1.2 c1c(nco1)Cl AB71588 [1,0,0,0,0,0|2,0,0]=3 50 B6R1.2 c1c(nco1)N AB65031 [1,0,0,0,0,0|2,0,0]=3 51 B6R1.2 c1c(ocn1)Br AB68491 [1,0,0,0,0,0|2,0,0]=3 52 B6R1.2 c1c(ocn1)N MB10132 [1,0,0,0,0,0|2,0,0]=3 53 B6R1.2 c1c(scn1)Br AB42975 [1,0,0,0,0,0|2,1,0]=4 54 B6R1.2 c1cc(oc1)Br AB04890 [1,0,0,0,0,0|1,0,0]=2 55 B6R1.2 c1cc(sc1)N AB08372 [1,0,0,0,0,0|1,1,0]=3 56 B6R1.2 c1ccn(c1)N PB33802 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 c1cn(cn1)N AB53511 [1,0,0,0,0,0|3,0,0]=4 58 B6R1.2 c1cnoc1N MB00706 [1,0,0,0,0,0|2,0,0]=3 59 B6R1.2 c1coc(n1)Br AB53255 [1,0,0,0,0,0|2,0,0]=3 60 B6R1.2 c1coc(n1)I PB15201 [1,0,0,0,0,0|2,0,0]=3 61 B6R1.2 c1coc(n1)N MB04324 [1,0,0,0,0,0|2,0,0]=3 62 B6R1.2 c1conc1N PB33787 [1,0,0,0,0,0|2,0,0]=3 63 B6R1.2 c1conc1O MB20248 [1,0,0,0,0,0|1,1,0]=3 64 B6R1.2 c1csc(n1)Br AB00399 [1,0,0,0,0,0|2,1,0]=4 65 B6R1.2 c1csc(n1)Cl CB10295 [1,0,0,0,0,0|2,1,0]=4 66 B6R1.2 c1csc(n1)O AB10887 [1,0,0,0,0,0|2,1,0]=4 67 B6R1.2 c1cscc1N MB09694 [1,0,0,0,0,0|1,1,0]=3 68 B6R1.2 c1cscc1N PB23357 [1,0,0,0,0,0|1,1,0]=3 69 B8R1.11 CC1=C(N=CC1)C=O AB01496 [0,1,0,0,0,0|2,1,0]=4 70 B8R1.11 CCn1c(ccn1)N PB15601 [0,1,0,0,0,0|3,0,0]=4 71 B8R1.11 Cc1c(ccs1)C#N AB71665 [0,1,0,0,0,0|1,1,0]=3 72 B8R1.11 Cc1c(ccs1)C=O AB53893 [0,1,0,0,0,0|0,2,0]=3 73 B8R1.11 Cc1c(ccs1)CCl AB76281 [0,1,0,0,0,0|1,1,0]=3 74 B8R1.11 Cc1c(con1)CN MB06775 [0,1,0,0,0,0|3,0,0]=4 75 B8R1.11 Cc1c(nco1)C=O AB62633 [0,1,0,0,0,0|1,1,0]=3 76 B8R1.11 Cc1c(nco1)CCl AB71571 [0,1,0,0,0,0|2,0,0]=3 77 B8R1.11 Cc1c(nco1)CN AB68727 [0,1,0,0,0,0|2,0,0]=3 78 B8R1.11 Cc1c(ncs1)C#N AB76587 [0,1,0,0,0,0|2,1,0]=4 79 B8R1.11 Cc1c(ncs1)C=O AB62627 [0,1,0,0,0,0|1,2,0]=4 80 B8R1.11 Cc1c(ncs1)CCl AB76286 [0,1,0,0,0,0|2,1,0]=4 81 B8R1.11 Cc1c(ncs1)CO AB44114 [0,1,0,0,0,0|1,2,0]=4 82 B8R1.11 Cc1c(ocn1)CCl MB08890 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.11 Cc1c(ocn1)CO MB03682 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.11 Cc1c(scn1)C=O CB10986 [0,1,0,0,0,0|2,1,0]=4 85 B8R1.11 Cc1c(scn1)CCl AB43190 [0,1,0,0,0,0|2,1,0]=4 86 B8R1.11 Cc1c(scn1)CN AB43198 [0,1,0,0,0,0|2,1,0]=4 87 B8R1.11 Cn1c(ccn1)C#N PB25151 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.11 Cn1c(ccn1)C=O PB21218 [0,1,0,0,0,0|2,1,0]=4 89 B8R1.11 Cn1c(ccn1)CN PB24806 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.11 Cn1c(ccn1)CO PB14601 [0,1,0,0,0,0|2,1,0]=4 91 B8R1.11 Cn1cccc1C#N AB12660 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.11 Cn1ccnc1CN MB07317 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.11 Cn1ccnc1CN PB30844 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.11 c1coc(c1Br)C=O AB31934 [0,1,0,0,0,0|1,0,1]=3 95 B8R1.11 c1coc(c1C#N)N AB52942 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.11 c1csc(c1Br)C#N PB20896 [0,1,0,0,0,0|1,1,1]=4 97 B8R1.11 c1csc(c1Br)C=O PB25976 [0,1,0,0,0,0|1,1,1]=4 98 B8R1.11 c1csc(c1Br)CN PB34113 [0,1,0,0,0,0|1,1,0]=3 99 B8R1.11 c1csc(c1Br)CO PB27714 [0,1,0,0,0,0|1,1,0]=3 100 B8R1.11 c1csc(c1CBr)Br PB14291 [0,1,0,0,0,0|2,1,0]=4 101 B8R1.11 c1csc(c1Cl)C=O PB32269 [0,1,0,0,0,0|1,1,1]=4 102 B8R1.11 c1csc(c1Cl)CN PB11803 [0,1,0,0,0,0|1,1,0]=3 103 B8R1.11 c1csc(c1Cl)CO PB23440 [0,1,0,0,0,0|1,1,0]=3 104 B8R1.11 c1csc(c1N)C#N AB03684 [0,1,0,0,0,0|1,1,1]=4 105 B8R1.18 CC1C(=O)NC(=O)O1 AB26261 [0,1,0,0,0,0|1,1,1]=4 106 B8R1.18 Cc1c(cc(s1)Br)Br MB04800 [0,1,0,0,0,0|1,1,0]=3 107 B8R1.18 Cc1c(cn(n1)C)Br PB23204 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.18 Cc1c(cn(n1)C)N AB10629 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.18 Cc1c(cn(n1)C)N PB34221 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.18 Cc1c(oc(n1)N)C AB25421 [0,1,0,0,0,0|2,0,0]=3 111 B8R1.18 Cc1cc(n(n1)C)Br PB11837 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.18 Cc1cc(n(n1)C)N AB02131 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.18 Cc1nc(cn1C)Br AB26584 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.18 Cn1c(cc(n1)Cl)N PB30426 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.50 Cc1c(c(on1)C)Br PB14113 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.50 Cc1c(c(on1)C)I AB04361 [0,1,0,0,0,0|2,0,0]=3 117 B8R1.50 Cc1c(cnn1C)Br AB51571 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.50 Cc1cnn(c1Br)C AB84867 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.50 Cc1ncc(n1C)Br AB26592 [0,1,0,0,0,0|3,0,0]=4 120 B6R0.1 COC(=O)\C=C\N AB31601 [0,0,1,0,0,0|2,1,0]=4 121 B8R1.4 C1C(=CC=NC1=O)Br PB17828 [0,0,0,0,0,1|3,0,0]=4 122 B8R1.4 Cc1cc(ccn1)Br AB17599 [0,0,0,0,0,1|2,0,0]=3 123 B8R1.4 Cc1cc(ccn1)Br PB26077 [0,0,0,0,0,1|2,0,0]=3 124 B8R1.4 Cc1cc(ccn1)Cl AB01756 [0,0,0,0,0,1|2,0,0]=3 125 B8R1.4 Cc1cc(ccn1)F AB17919 [0,0,0,0,0,1|2,0,0]=3 126 B8R1.4 Cc1cc(ccn1)O PB24839 [0,0,0,0,0,1|1,1,0]=3 127 B8R1.4 Cc1cc(cnc1)Br AB09597 [0,0,0,0,0,1|3,0,0]=4 128 B8R1.4 Cc1cc(cnc1)Cl AB17994 [0,0,0,0,0,1|3,0,0]=4 129 B8R1.4 Cc1cc(cnc1)F AB13643 [0,0,0,0,0,1|3,0,0]=4 130 B8R1.4 Cc1cc(cnc1)N AB17573 [0,0,0,0,0,1|3,0,0]=4 131 B8R1.4 Cc1cc(cnc1)O MB01362 [0,0,0,0,0,1|2,1,0]=4 132 B8R1.4 Cc1cc(cnn1)N MB11385 [0,0,0,0,0,1|3,0,0]=4 133 B8R1.4 Cc1cc(ncn1)C PB24534 [0,0,0,0,0,1|3,0,0]=4 134 B8R1.4 Cc1cc(ncn1)Cl PB29204 [0,0,0,0,0,1|3,0,0]=4 135 B8R1.4 Cc1cc(ncn1)N PB12118 [0,0,0,0,0,1|3,0,0]=4 136 B8R1.4 Cc1cc[nH]c(=O)n1 PB19074 [0,0,0,0,0,1|2,1,0]=4 137 B8R1.4 Cc1cccc(n1)Br AB01812 [0,0,0,0,0,1|2,0,0]=3 138 B8R1.4 Cc1cccc(n1)Cl AB00666 [0,0,0,0,0,1|2,0,0]=3 139 B8R1.4 Cc1cccc(n1)F AB01860 [0,0,0,0,0,1|2,0,0]=3 140 B8R1.4 Cc1cccc(n1)N AB00717 [0,0,0,0,0,1|2,0,0]=3 141 B8R1.4 Cc1cccc(n1)O AB00679 [0,0,0,0,0,1|1,1,0]=3 142 B8R1.4 Cc1cccc(n1)S AB25230 [0,0,0,0,0,1|1,0,0]=2 143 B8R1.4 Cc1ccnc(c1)Br AB03099 [0,0,0,0,0,1|3,0,0]=4 144 B8R1.4 Cc1ccnc(c1)Cl PB10051 [0,0,0,0,0,1|3,0,0]=4 145 B8R1.4 Cc1ccnc(c1)F AB01854 [0,0,0,0,0,1|3,0,0]=4 146 B8R1.4 Cc1ccnc(c1)N AB00703 [0,0,0,0,0,1|3,0,0]=4 147 B8R1.4 Cc1ccnc(c1)O AB03735 [0,0,0,0,0,1|2,1,0]=4 148 B8R1.4 Cc1ccnc(n1)Cl PB14106 [0,0,0,0,0,1|3,0,0]=4 149 B8R1.4 Cc1ccnc(n1)N MB00179 [0,0,0,0,0,1|3,0,0]=4 150 B8R1.4 Cc1cncc(n1)Br AB48617 [0,0,0,0,0,1|3,0,0]=4 151 B8R1.4 Cc1cncc(n1)Cl AB02267 [0,0,0,0,0,1|3,0,0]=4 152 B8R1.4 Cc1cncc(n1)N AB43812 [0,0,0,0,0,1|3,0,0]=4 153 B8R1.4 Cc1nc(cnn1)Cl AB66817 [0,0,0,0,0,1|3,0,0]=4 154 B8R1.4 Cc1nccc(n1)Cl PB30633 [0,0,0,0,0,1|2,0,0]=3 155 B8R1.4 Cc1nccc(n1)N AB06587 [0,0,0,0,0,1|2,0,0]=3 156 B8R1.4 c1cc(nc(c1)Br)Br AB00637 [0,0,0,0,0,1|3,0,0]=4 157 B8R1.4 c1cc(nc(c1)Br)Cl PB33830 [0,0,0,0,0,1|3,0,0]=4 158 B8R1.4 c1cc(nc(c1)Br)F AB13626 [0,0,0,0,0,1|3,0,0]=4 159 B8R1.4 c1cc(nc(c1)Br)N PB32140 [0,0,0,0,0,1|3,0,0]=4 160 B8R1.4 c1cc(nc(c1)Br)O AB05100 [0,0,0,0,0,1|2,1,0]=4 161 B8R1.4 c1cc(nc(c1)Cl)Cl AB00664 [0,0,0,0,0,1|3,0,0]=4 162 B8R1.4 c1cc(nc(c1)Cl)F AB02970 [0,0,0,0,0,1|3,0,0]=4 163 B8R1.4 c1cc(nc(c1)Cl)N PB26011 [0,0,0,0,0,1|3,0,0]=4 164 B8R1.4 c1cc(nc(c1)F)N AB17974 [0,0,0,0,0,1|3,0,0]=4 165 B8R1.4 c1cc(nc(c1)I)Cl AB42915 [0,0,0,0,0,1|3,0,0]=4 166 B8R1.4 c1cc(nc(c1)I)I AB31088 [0,0,0,0,0,1|3,0,0]=4 167 B8R1.4 c1cc(nc(c1)I)N AB42508 [0,0,0,0,0,1|3,0,0]=4 168 B8R1.4 c1cnc(cc1Br)Br PB10210 [0,0,0,0,0,1|3,0,0]=4 169 B8R1.4 c1cnc(cc1Br)Cl AB16617 [0,0,0,0,0,1|3,0,0]=4 170 B8R1.4 c1cnc(cc1Br)F AB17567 [0,0,0,0,0,1|3,0,0]=4 171 B8R1.4 c1cnc(cc1Br)I AB31627 [0,0,0,0,0,1|3,0,0]=4 172 B8R1.4 c1cnc(cc1Br)N PB12936 [0,0,0,0,0,1|3,0,0]=4 173 B8R1.4 c1cnc(cc1Cl)Br PB23373 [0,0,0,0,0,1|3,0,0]=4 174 B8R1.4 c1cnc(cc1Cl)Cl AB07735 [0,0,0,0,0,1|3,0,0]=4 175 B8R1.4 c1cnc(cc1Cl)F AB17564 [0,0,0,0,0,1|3,0,0]=4 176 B8R1.4 c1cnc(cc1Cl)N PB32361 [0,0,0,0,0,1|3,0,0]=4 177 B8R1.4 c1cnc(cc1Cl)O AB13188 [0,0,0,0,0,1|3,0,0]=4 178 B8R1.4 c1cnc(cc1F)Br AB50032 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.4 c1cnc(cc1F)Cl AB17349 [0,0,0,0,0,1|3,0,0]=4 180 B8R1.4 c1cnc(cc1F)F PB26122 [0,0,0,0,0,1|3,0,0]=4 181 B8R1.4 c1cnc(cc1F)N AB50025 [0,0,0,0,0,1|3,0,0]=4 182 B8R1.4 c1cnc(cc1I)Br PB29229 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.4 c1cnc(cc1I)Cl PB17253 [0,0,0,0,0,1|3,0,0]=4 184 B8R1.4 c1cnc(cc1I)F PB12274 [0,0,0,0,0,1|3,0,0]=4 185 B8R1.4 c1cnc(cc1I)N PB10642 [0,0,0,0,0,1|3,0,0]=4 186 B8R1.4 c1cnc(cc1N)Br PB30686 [0,0,0,0,0,1|3,0,0]=4 187 B8R1.4 c1cnc(cc1N)Cl PB24583 [0,0,0,0,0,1|3,0,0]=4 188 B8R1.4 c1cnc(cc1N)F PB21208 [0,0,0,0,0,1|3,0,0]=4 189 B8R1.4 c1cnc(cc1N)O PB15716 [0,0,0,0,0,1|3,0,0]=4 190 B8R1.4 c1cnc(cc1O)Br AB05095 [0,0,0,0,0,1|2,1,0]=4 191 B8R1.4 c1cnc(cc1O)Cl AB09576 [0,0,0,0,0,1|2,1,0]=4 192 B8R1.4 c1cnc(cc1O)F AB17930 [0,0,0,0,0,1|2,1,0]=4 193 B8R1.4 c1cnc(cc1O)I MB26582 [0,0,0,0,0,1|2,1,0]=4 194 B8R1.4 c1cnc(cc1O)N AB17934 [0,0,0,0,0,1|2,1,0]=4 195 B8R1.4 c1cnc(nc1Br)Br PB17395 [0,0,0,0,0,1|3,0,0]=4 196 B8R1.4 c1cnc(nc1Br)F MB14189 [0,0,0,0,0,1|3,0,0]=4 197 B8R1.4 c1cnc(nc1Br)N PB13233 [0,0,0,0,0,1|3,0,0]=4 198 B8R1.4 c1cnc(nc1Cl)Br MB10108 [0,0,0,0,0,1|3,0,0]=4 199 B8R1.4 c1cnc(nc1Cl)Cl AB00576 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.4 c1cnc(nc1Cl)N PB21638 [0,0,0,0,0,1|3,0,0]=4 201 B8R1.4 c1cnc(nc1Cl)O AB68453 [0,0,0,0,0,1|3,0,0]=4 202 B8R1.4 c1cnc(nc1F)Br MB14089 [0,0,0,0,0,1|3,0,0]=4 203 B8R1.4 c1cnc(nc1N)Br MB09311 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.4 c1cnc(nc1N)Cl PB14147 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.5 Cc1c(cccn1)Br PB27472 [0,0,0,0,0,1|2,0,0]=3 206 B8R1.5 Cc1c(cccn1)Cl AB17903 [0,0,0,0,0,1|2,0,0]=3 207 B8R1.5 Cc1c(cccn1)F AB48604 [0,0,0,0,0,1|2,0,0]=3 208 B8R1.5 Cc1c(cccn1)N PB33695 [0,0,0,0,0,1|2,0,0]=3 209 B8R1.5 Cc1c(cccn1)O PB18442 [0,0,0,0,0,1|1,1,0]=3 210 B8R1.5 Cc1c(ccnn1)N MB11382 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.5 Cc1c(cncn1)Br PB26552 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.5 Cc1c(cncn1)N PB26435 [0,0,0,0,0,1|2,0,0]=3 213 B8R1.5 Cc1c(nccn1)Br PB10597 [0,0,0,0,0,1|2,0,0]=3 214 B8R1.5 Cc1c(nccn1)Cl PB18413 [0,0,0,0,0,1|2,0,0]=3 215 B8R1.5 Cc1c(nccn1)I PB26409 [0,0,0,0,0,1|2,0,0]=3 216 B8R1.5 Cc1c(nccn1)N PB32667 [0,0,0,0,0,1|2,0,0]=3 217 B8R1.5 Cc1c(nccn1)O PB12942 [0,0,0,0,0,1|1,1,0]=3 218 B8R1.5 Cc1cccnc1Br AB05448 [0,0,0,0,0,1|2,0,0]=3 219 B8R1.5 Cc1cccnc1Cl AB05179 [0,0,0,0,0,1|2,0,0]=3 220 B8R1.5 Cc1cccnc1N AB17908 [0,0,0,0,0,1|2,0,0]=3 221 B8R1.5 Cc1cccnc1O AB03538 [0,0,0,0,0,1|1,1,0]=3 222 B8R1.5 Cc1ccncc1Br AB03104 [0,0,0,0,0,1|2,0,0]=3 223 B8R1.5 Cc1ccncc1Cl AB18019 [0,0,0,0,0,1|2,0,0]=3 224 B8R1.5 Cc1ccncc1F AB18002 [0,0,0,0,0,1|2,0,0]=3 225 B8R1.5 Cc1ccncc1N PB14127 [0,0,0,0,0,1|2,0,0]=3 226 B8R1.5 Cc1ccncc1O PB23391 [0,0,0,0,0,1|1,1,0]=3 227 B8R1.5 Cc1ccnnc1Cl PB34304 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.5 Cc1ccnnc1N MB06298 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.5 Cc1cnccc1Br AB20846 [0,0,0,0,0,1|2,0,0]=3 230 B8R1.5 Cc1cnccc1Br PB23248 [0,0,0,0,0,1|2,0,0]=3 231 B8R1.5 Cc1cnccc1Cl AB11511 [0,0,0,0,0,1|2,0,0]=3 232 B8R1.5 Cc1cnccc1F AB18013 [0,0,0,0,0,1|2,0,0]=3 233 B8R1.5 Cc1cnccc1N PB17234 [0,0,0,0,0,1|2,0,0]=3 234 B8R1.5 Cc1cncnc1Cl AB44072 [0,0,0,0,0,1|3,0,0]=4 235 B8R1.5 Cc1cncnc1N AB54983 [0,0,0,0,0,1|3,0,0]=4 236 B8R1.5 Cc1cncnc1O AB09558 [0,0,0,0,0,1|2,1,0]=4 237 B8R1.5 Cc1cnncc1N MB11384 [0,0,0,0,0,1|3,0,0]=4 238 B8R1.5 c1c(c(ncn1)Br)N MB08406 [0,0,0,0,0,1|3,0,0]=4 239 B8R1.5 c1c(c(ncn1)Cl)Br PB14722 [0,0,0,0,0,1|3,0,0]=4 240 B8R1.5 c1c(c(ncn1)Cl)Cl PB28007 [0,0,0,0,0,1|3,0,0]=4 241 B8R1.5 c1c(c(ncn1)Cl)F AB51357 [0,0,0,0,0,1|3,0,0]=4 242 B8R1.5 c1c(c(ncn1)Cl)I PB23589 [0,0,0,0,0,1|3,0,0]=4 243 B8R1.5 c1c(c(ncn1)I)Br PB11068 [0,0,0,0,0,1|3,0,0]=4 244 B8R1.5 c1c(c(ncn1)N)Br MB00976 [0,0,0,0,0,1|3,0,0]=4 245 B8R1.5 c1c(c(ncn1)N)N AB00594 [0,0,0,0,0,1|3,0,0]=4 246 B8R1.5 c1c(c(ncn1)O)Br PB32183 [0,0,0,0,0,1|3,0,0]=4 247 B8R1.5 c1c(c(ncn1)O)Cl PB14718 [0,0,0,0,0,1|3,0,0]=4 248 B8R1.5 c1c(c(ncn1)O)I PB34035 [0,0,0,0,0,1|3,0,0]=4 249 B8R1.5 c1cc(c(nc1)Br)Br AB05083 [0,0,0,0,0,1|3,0,0]=4 250 B8R1.5 c1cc(c(nc1)Br)Cl AB17348 [0,0,0,0,0,1|3,0,0]=4 251 B8R1.5 c1cc(c(nc1)Br)F PB14380 [0,0,0,0,0,1|3,0,0]=4 252 B8R1.5 c1cc(c(nc1)Br)I MB06974 [0,0,0,0,0,1|3,0,0]=4 253 B8R1.5 c1cc(c(nc1)Br)N AB17900 [0,0,0,0,0,1|3,0,0]=4 254 B8R1.5 c1cc(c(nc1)Br)N PB26005 [0,0,0,0,0,1|3,0,0]=4 255 B8R1.5 c1cc(c(nc1)Br)O PB28951 [0,0,0,0,0,1|2,1,0]=4 256 B8R1.5 c1cc(c(nc1)Cl)Br PB33875 [0,0,0,0,0,1|3,0,0]=4 257 B8R1.5 c1cc(c(nc1)Cl)Cl AB00641 [0,0,0,0,0,1|3,0,0]=4 258 B8R1.5 c1cc(c(nc1)Cl)F AB13662 [0,0,0,0,0,1|3,0,0]=4 259 B8R1.5 c1cc(c(nc1)Cl)I AB06631 [0,0,0,0,0,1|3,0,0]=4 260 B8R1.5 c1cc(c(nc1)Cl)N PB23167 [0,0,0,0,0,1|3,0,0]=4 261 B8R1.5 c1cc(c(nc1)Cl)O PB21615 [0,0,0,0,0,1|2,1,0]=4 262 B8R1.5 c1cc(c(nc1)F)I AB13652 [0,0,0,0,0,1|3,0,0]=4 263 B8R1.5 c1cc(c(nc1)F)N AB17917 [0,0,0,0,0,1|3,0,0]=4 264 B8R1.5 c1cc(c(nc1)I)Br AB45745 [0,0,0,0,0,1|3,0,0]=4 265 B8R1.5 c1cc(c(nc1)I)F AB13656 [0,0,0,0,0,1|3,0,0]=4 266 B8R1.5 c1cc(c(nc1)I)I AB25846 [0,0,0,0,0,1|3,0,0]=4 267 B8R1.5 c1cc(c(nc1)I)O MB00322 [0,0,0,0,0,1|2,1,0]=4 268 B8R1.5 c1cc(c(nc1)N)Br PB20016 [0,0,0,0,0,1|3,0,0]=4 269 B8R1.5 c1cc(c(nc1)N)Cl AB15555 [0,0,0,0,0,1|3,0,0]=4 270 B8R1.5 c1cc(c(nc1)N)F AB17912 [0,0,0,0,0,1|3,0,0]=4 271 B8R1.5 c1cc(c(nc1)N)I PB12756 [0,0,0,0,0,1|3,0,0]=4 272 B8R1.5 c1cc(c(nc1)N)O AB00700 [0,0,0,0,0,1|2,1,0]=4 273 B8R1.5 c1cc(c(nc1)N)O AB17906 [0,0,0,0,0,1|2,1,0]=4 274 B8R1.5 c1cc(c(nc1)N)S AB64540 [0,0,0,0,0,1|2,0,0]=3 275 B8R1.5 c1cc(c(nc1)O)Br PB12284 [0,0,0,0,0,1|2,1,0]=4 276 B8R1.5 c1cc(c(nc1)O)F AB13427 [0,0,0,0,0,1|2,1,0]=4 277 B8R1.5 c1cc(c(nc1)O)I AB53303 [0,0,0,0,0,1|2,1,0]=4 278 B8R1.5 c1cc(c(nc1)O)N PB30752 [0,0,0,0,0,1|2,1,0]=4 279 B8R1.5 c1cc[n+](c(c1)S)[O-] AB00615 [0,0,0,0,0,1|3,0,0]=4 280 B8R1.5 c1cn[nH]c(=O)c1Cl PB31005 [0,0,0,0,0,1|3,0,0]=4 281 B8R1.5 c1cnc(c(n1)Cl)Cl PB15620 [0,0,0,0,0,1|3,0,0]=4 282 B8R1.5 c1cnc(c(n1)N)Br MB08183 [0,0,0,0,0,1|3,0,0]=4 283 B8R1.5 c1cnc(c(n1)N)Cl PB24841 [0,0,0,0,0,1|3,0,0]=4 284 B8R1.5 c1cnc(c(n1)N)N PB10452 [0,0,0,0,0,1|3,0,0]=4 285 B8R1.5 c1cncc(c1Br)Br AB05087 [0,0,0,0,0,1|3,0,0]=4 286 B8R1.5 c1cncc(c1Br)Cl AB17643 [0,0,0,0,0,1|3,0,0]=4 287 B8R1.5 c1cncc(c1Br)F PB23387 [0,0,0,0,0,1|3,0,0]=4 288 B8R1.5 c1cncc(c1Br)N AB17638 [0,0,0,0,0,1|3,0,0]=4 289 B8R1.5 c1cncc(c1Br)O AB13187 [0,0,0,0,0,1|2,1,0]=4 290 B8R1.5 c1cncc(c1Cl)Br AB05074 [0,0,0,0,0,1|3,0,0]=4 291 B8R1.5 c1cncc(c1Cl)Cl AB10192 [0,0,0,0,0,1|3,0,0]=4 292 B8R1.5 c1cncc(c1Cl)F AB15511 [0,0,0,0,0,1|3,0,0]=4 293 B8R1.5 c1cncc(c1Cl)I AB05089 [0,0,0,0,0,1|3,0,0]=4 294 B8R1.5 c1cncc(c1Cl)N AB05299 [0,0,0,0,0,1|3,0,0]=4 295 B8R1.5 c1cncc(c1Cl)O AB12281 [0,0,0,0,0,1|2,1,0]=4 296 B8R1.5 c1cncc(c1F)Br AB17892 [0,0,0,0,0,1|3,0,0]=4 297 B8R1.5 c1cncc(c1F)Cl AB21349 [0,0,0,0,0,1|3,0,0]=4 298 B8R1.5 c1cncc(c1F)F AB18023 [0,0,0,0,0,1|3,0,0]=4 299 B8R1.5 c1cncc(c1F)N AB50028 [0,0,0,0,0,1|3,0,0]=4 300 B8R1.5 c1cncc(c1F)O AB64515 [0,0,0,0,0,1|2,1,0]=4 301 B8R1.5 c1cncc(c1I)F PB21191 [0,0,0,0,0,1|3,0,0]=4 302 B8R1.5 c1cncc(c1I)N PB23406 [0,0,0,0,0,1|3,0,0]=4 303 B8R1.5 c1cncc(c1I)O MB06807 [0,0,0,0,0,1|2,1,0]=4 304 B8R1.5 c1cncc(c1N)Br AB28611 [0,0,0,0,0,1|3,0,0]=4 305 B8R1.5 c1cncc(c1N)Cl AB16891 [0,0,0,0,0,1|3,0,0]=4 306 B8R1.5 c1cncc(c1N)F PB33879 [0,0,0,0,0,1|3,0,0]=4 307 B8R1.5 c1cncc(c1N)I AB12095 [0,0,0,0,0,1|3,0,0]=4 308 B8R1.5 c1cncc(c1O)Br AB09574 [0,0,0,0,0,1|2,1,0]=4 309 B8R1.5 c1cncc(c1O)F AB18011 [0,0,0,0,0,1|2,1,0]=4 310 B8R1.5 c1cnnc(c1Br)Cl AB77054 [0,0,0,0,0,1|3,0,0]=4 311 B8R1.5 c1cnnc(c1Br)O AB77052 [0,0,0,0,0,1|3,0,0]=4 312 B8R1.5 c1cnnc(c1Cl)Cl PB30392 [0,0,0,0,0,1|3,0,0]=4 313 B5R0.1 CC(=O)\C=N\O AB00206 [1,0,1,0,0,0|1,1,0]=4 314 B5R1.1 c1cocn1 PB17048 [2,0,0,0,0,0|1,0,0]=3 315 B7R1.1 CCC1=CN=CC1 AB31265 [1,1,0,0,0,0|2,0,0]=4 316 B7R1.1 COc1nccs1 AB09330 [1,1,0,0,0,0|1,1,0]=4 317 B7R1.1 c1c(con1)C#N MB01145 [1,1,0,0,0,0|2,0,0]=4 318 B7R1.1 c1c(con1)C=O AB11289 [1,1,0,0,0,0|1,1,0]=4 319 B7R1.1 c1c(con1)CN AB28201 [1,1,0,0,0,0|2,0,0]=4 320 B7R1.1 c1c(con1)CN PB34298 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.1 c1c(con1)CO PB14463 [1,1,0,0,0,0|1,1,0]=4 322 B7R1.1 c1c(nco1)C#N PB10483 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.1 c1c(nco1)C=O PB23292 [1,1,0,0,0,0|1,1,0]=4 324 B7R1.1 c1c(nco1)CCl AB71585 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.1 c1c(nco1)CN PB29323 [1,1,0,0,0,0|2,0,0]=4 326 B7R1.1 c1c(nco1)CO PB29559 [1,1,0,0,0,0|1,1,0]=4 327 B7R1.1 c1c(ncs1)CCl AB10919 [1,1,0,0,0,0|2,0,0]=4 328 B7R1.1 c1c(ncs1)CN AB27866 [1,1,0,0,0,0|2,0,0]=4 329 B7R1.1 c1c(ncs1)CN PB21996 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.1 c1c(ncs1)CO AB20478 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.1 c1c(ocn1)C#N AB19309 [1,1,0,0,0,0|1,0,1]=4 332 B7R1.1 c1c(ocn1)C=O AB11283 [1,1,0,0,0,0|1,0,1]=4 333 B7R1.1 c1c(ocn1)CCl AB42450 [1,1,0,0,0,0|1,0,0]=3 334 B7R1.1 c1c(ocn1)CN AB30442 [1,1,0,0,0,0|1,0,0]=3 335 B7R1.1 c1c(ocn1)CO PB32681 [1,1,0,0,0,0|1,0,0]=3 336 B7R1.1 c1c(scn1)CCl AB64977 [1,1,0,0,0,0|1,1,0]=4 337 B7R1.1 c1c(scn1)CN AB27929 [1,1,0,0,0,0|1,1,0]=4 338 B7R1.1 c1c(scn1)CN PB32316 [1,1,0,0,0,0|1,1,0]=4 339 B7R1.1 c1c(scn1)CO AB20492 [1,1,0,0,0,0|1,1,0]=4 340 B7R1.1 c1cc(oc1)C#N AB00309 [1,1,0,0,0,0|0,0,1]=3 341 B7R1.1 c1cc(oc1)CCl MB06568 [1,1,0,0,0,0|0,0,0]=2 342 B7R1.1 c1cc(sc1)CN PB17027 [1,1,0,0,0,0|0,1,0]=3 343 B7R1.1 c1cc(sc1)CO PB10001 [1,1,0,0,0,0|0,1,0]=3 344 B7R1.1 c1cnoc1CN AB27950 [1,1,0,0,0,0|1,0,0]=3 345 B7R1.1 c1cnoc1CN AB27954 [1,1,0,0,0,0|1,0,0]=3 346 B7R1.1 c1cnoc1CO AB28102 [1,1,0,0,0,0|1,0,0]=3 347 B7R1.1 c1cnsc1CCl AB70841 [1,1,0,0,0,0|1,1,0]=4 348 B7R1.1 c1cnsc1CN AB70840 [1,1,0,0,0,0|1,1,0]=4 349 B7R1.1 c1coc(n1)C=O AB14413 [1,1,0,0,0,0|1,0,1]=4 350 B7R1.1 c1coc(n1)CCl AB19278 [1,1,0,0,0,0|1,0,0]=3 351 B7R1.1 c1coc(n1)CN AB19275 [1,1,0,0,0,0|1,0,0]=3 352 B7R1.1 c1coc(n1)CN AB28202 [1,1,0,0,0,0|1,0,0]=3 353 B7R1.1 c1coc(n1)CO PB27948 [1,1,0,0,0,0|1,0,0]=3 354 B7R1.1 c1conc1C#N PB32775 [1,1,0,0,0,0|2,0,0]=4 355 B7R1.1 c1conc1C=O PB26237 [1,1,0,0,0,0|1,1,0]=4 356 B7R1.1 c1conc1CCl MB04274 [1,1,0,0,0,0|2,0,0]=4 357 B7R1.1 c1conc1CN PB24935 [1,1,0,0,0,0|2,0,0]=4 358 B7R1.1 c1conc1CO PB15902 [1,1,0,0,0,0|1,1,0]=4 359 B7R1.1 c1csc(n1)CCl AB42463 [1,1,0,0,0,0|1,1,0]=4 360 B7R1.1 c1csc(n1)CN MB03193 [1,1,0,0,0,0|1,1,0]=4 361 B7R1.1 c1csc(n1)CN PB20005 [1,1,0,0,0,0|1,1,0]=4 362 B7R1.1 c1cscc1C#N PB27442 [1,1,0,0,0,0|1,1,0]=4 363 B7R1.1 c1cscc1C=O PB14065 [1,1,0,0,0,0|0,2,0]=4 364 B7R1.1 c1cscc1CN AB13999 [1,1,0,0,0,0|1,1,0]=4 365 B7R1.1 c1cscc1CN PB12237 [1,1,0,0,0,0|1,1,0]=4 366 B7R1.1 c1cscc1CO PB10036 [1,1,0,0,0,0|0,2,0]=4 367 B7R1.1 c1csnc1CN PB23687 [1,1,0,0,0,0|2,0,0]=4 368 B7R1.1 c1nnc(o1)CCl AB08293 [1,1,0,0,0,0|2,0,0]=4 369 B7R1.1 c1nnc(o1)CN AB25336 [1,1,0,0,0,0|2,0,0]=4 370 B7R1.2 CC1=NC(=O)N=C1 AB05017 [1,1,0,0,0,0|2,0,0]=4 371 B7R1.2 Cc1[nH]c(cn1)Cl AB58131 [1,1,0,0,0,0|2,0,0]=4 372 B7R1.2 Cc1[nH]cc(n1)Br AB14336 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.2 Cc1[nH]cc(n1)N AB60590 [1,1,0,0,0,0|2,0,0]=4 374 B7R1.2 Cc1cc(cs1)Br AB20690 [1,1,0,0,0,0|0,1,0]=3 375 B7R1.2 Cc1cc(no1)N PB28932 [1,1,0,0,0,0|1,0,0]=3 376 B7R1.2 Cc1cc(on1)N MB00134 [1,1,0,0,0,0|2,0,0]=4 377 B7R1.2 Cc1cc(sc1)C CB10250 [1,1,0,0,0,0|0,1,0]=3 378 B7R1.2 Cc1ccc(o1)Br AB64979 [1,1,0,0,0,0|0,0,0]=2 379 B7R1.2 Cc1ccn(n1)C PB27396 [1,1,0,0,0,0|2,0,0]=4 380 B7R1.2 Cc1cnc(o1)Br AB71573 [1,1,0,0,0,0|1,0,0]=3 381 B7R1.2 Cc1cnc(o1)C AB72158 [1,1,0,0,0,0|1,0,0]=3 382 B7R1.2 Cc1cnc(o1)Cl AB53091 [1,1,0,0,0,0|1,0,0]=3 383 B7R1.2 Cc1cnc(o1)N AB52683 [1,1,0,0,0,0|1,0,0]=3 384 B7R1.2 Cc1cnc(o1)O AB53086 [1,1,0,0,0,0|1,0,0]=3 385 B7R1.2 Cc1cnc(s1)Br AB45716 [1,1,0,0,0,0|1,1,0]=4 386 B7R1.2 Cc1cnc(s1)Cl AB13892 [1,1,0,0,0,0|1,1,0]=4 387 B7R1.2 Cc1cnc(s1)N AB03001 [1,1,0,0,0,0|1,1,0]=4 388 B7R1.2 Cc1cnc(s1)O AB53102 [1,1,0,0,0,0|1,1,0]=4 389 B7R1.2 Cc1coc(n1)Br AB68303 [1,1,0,0,0,0|2,0,0]=4 390 B7R1.2 Cc1coc(n1)Cl AB68302 [1,1,0,0,0,0|2,0,0]=4 391 B7R1.2 Cc1coc(n1)N PB17112 [1,1,0,0,0,0|2,0,0]=4 392 B7R1.2 Cc1csc(n1)Br PB26224 [1,1,0,0,0,0|2,0,0]=4 393 B7R1.2 Cc1csc(n1)N AB00403 [1,1,0,0,0,0|2,0,0]=4 394 B7R1.2 Cc1nc(co1)N MB11373 [1,1,0,0,0,0|1,0,0]=3 395 B7R1.2 Cc1nc(cs1)Br AB23819 [1,1,0,0,0,0|1,1,0]=4 396 B7R1.2 Cc1nc(no1)Cl AB76625 [1,1,0,0,0,0|2,0,0]=4 397 B7R1.2 Cc1nc(no1)N AB44303 [1,1,0,0,0,0|2,0,0]=4 398 B7R1.2 Cc1nc(on1)C AB44073 [1,1,0,0,0,0|2,0,0]=4 399 B7R1.2 Cc1ncc(o1)N MB11377 [1,1,0,0,0,0|1,0,0]=3 400 B7R1.2 Cc1ncc(s1)Br AB54339 [1,1,0,0,0,0|1,1,0]=4 401 B7R1.2 Cc1nnc(o1)N PB23353 [1,1,0,0,0,0|2,0,0]=4 402 B7R1.2 Cn1cc(cn1)Br PB34028 [1,1,0,0,0,0|2,0,0]=4 403 B7R1.2 Cn1cc(cn1)F AB68792 [1,1,0,0,0,0|2,0,0]=4 404 B7R1.2 Cn1cc(cn1)N PB29344 [1,1,0,0,0,0|2,0,0]=4 405 B7R1.2 Cn1ccc(c1)Br AB63663 [1,1,0,0,0,0|2,0,0]=4 406 B7R1.2 Cn1ccc(n1)Br PB19136 [1,1,0,0,0,0|2,0,0]=4 407 B7R1.2 Cn1ccc(n1)I PB26365 [1,1,0,0,0,0|2,0,0]=4 408 B7R1.2 Cn1ccc(n1)N PB12171 [1,1,0,0,0,0|2,0,0]=4 409 B7R1.2 c1c(csc1Cl)N PB15475 [1,1,0,0,0,0|1,1,0]=4 410 B9R1.2 CCc1cc(ccn1)Br AB63995 [0,1,0,0,0,1|2,0,0]=4 411 B9R1.2 CCc1cc(ccn1)O MB11624 [0,1,0,0,0,1|1,1,0]=4 412 B9R1.2 CCc1cccc(n1)Br MB10338 [0,1,0,0,0,1|2,0,0]=4 413 B9R1.2 CCc1nccc(n1)Cl AB51249 [0,1,0,0,0,1|2,0,0]=4 414 B9R1.2 CNc1cc(ccn1)Br MB07801 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.2 CNc1cc(ccn1)O MB29569 [0,1,0,0,0,1|1,1,0]=4 416 B9R1.2 CNc1cccc(c1)O MB25493 [0,1,0,0,0,1|1,1,0]=4 417 B9R1.2 CNc1cccc(n1)Br AB50070 [0,1,0,0,0,1|2,0,0]=4 418 B9R1.2 CNc1cccc(n1)Cl AB05190 [0,1,0,0,0,1|2,0,0]=4 419 B9R1.2 CNc1nccc(n1)Br MB13471 [0,1,0,0,0,1|2,0,0]=4 420 B9R1.2 CNc1nccc(n1)Cl AB52980 [0,1,0,0,0,1|2,0,0]=4 421 B9R1.2 COc1cc(ccn1)Br AB44876 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.2 COc1cc(ccn1)Cl AB27571 [0,1,0,0,0,1|2,0,0]=4 423 B9R1.2 COc1cc(ccn1)F AB53299 [0,1,0,0,0,1|2,0,0]=4 424 B9R1.2 COc1cc(ccn1)I MB06098 [0,1,0,0,0,1|2,0,0]=4 425 B9R1.2 COc1cc(ccn1)N PB20942 [0,1,0,0,0,1|2,0,0]=4 426 B9R1.2 COc1cc(ccn1)O MB11972 [0,1,0,0,0,1|1,1,0]=4 427 B9R1.2 COc1cccc(n1)Cl AB00671 [0,1,0,0,0,1|2,0,0]=4 428 B9R1.2 COc1cccc(n1)F AB55818 [0,1,0,0,0,1|2,0,0]=4 429 B9R1.2 COc1cccc(n1)I AB31101 [0,1,0,0,0,1|2,0,0]=4 430 B9R1.2 COc1cccc(n1)N AB21183 [0,1,0,0,0,1|2,0,0]=4 431 B9R1.2 COc1cccc(n1)O AB31854 [0,1,0,0,0,1|1,1,0]=4 432 B9R1.2 COc1nccc(n1)Br AB54361 [0,1,0,0,0,1|2,0,0]=4 433 B9R1.2 COc1nccc(n1)Cl AB49109 [0,1,0,0,0,1|2,0,0]=4 434 B9R1.2 COc1nccc(n1)N PB29013 [0,1,0,0,0,1|2,0,0]=4 435 B9R1.2 CSc1[nH]c(=O)ccn1 PB24697 [0,1,0,0,0,1|1,1,0]=4 436 B9R1.2 CSc1cc(ccn1)Br MB09718 [0,1,0,0,0,1|2,0,0]=4 437 B9R1.2 CSc1cc(ccn1)O MB36936 [0,1,0,0,0,1|1,1,0]=4 438 B9R1.2 CSc1cccc(n1)Br MB07302 [0,1,0,0,0,1|2,0,0]=4 439 B9R1.2 CSc1ccnc(n1)Br MB14073 [0,1,0,0,0,1|2,0,0]=4 440 B9R1.2 CSc1nccc(n1)Br AB54070 [0,1,0,0,0,1|2,0,0]=4 441 B9R1.2 CSc1nccc(n1)Cl PB10012 [0,1,0,0,0,1|2,0,0]=4 442 B9R1.2 CSc1nccc(n1)I AB08843 [0,1,0,0,0,1|2,0,0]=4 443 B9R1.2 Cc1cc(ccn1)C#C AB66571 [0,1,0,0,0,1|2,0,0]=4 444 B9R1.2 Cc1cc(ccn1)C=O AB24827 [0,1,0,0,0,1|1,1,0]=4 445 B9R1.2 Cc1cc(ccn1)CCl AB59910 [0,1,0,0,0,1|2,0,0]=4 446 B9R1.2 Cc1cc(ccn1)CN AB25370 [0,1,0,0,0,1|2,0,0]=4 447 B9R1.2 Cc1cccc(n1)C#N AB04512 [0,1,0,0,0,1|2,0,0]=4 448 B9R1.2 Cc1cccc(n1)C=O AB00683 [0,1,0,0,0,1|1,1,0]=4 449 B9R1.2 Cc1cccc(n1)CCl AB49651 [0,1,0,0,0,1|2,0,0]=4 450 B9R1.2 Cc1cccc(n1)CN AB22796 [0,1,0,0,0,1|2,0,0]=4 451 B9R1.2 Cc1cccc(n1)NC AB60602 [0,1,0,0,0,1|2,0,0]=4 452 B9R1.2 Cc1ccnc(c1)CCl AB42303 [0,1,0,0,0,1|2,0,0]=4 453 B9R1.2 Cc1ccnc(c1)CN AB23452 [0,1,0,0,0,1|2,0,0]=4 454 B9R1.2 Cc1ccnc(n1)CCl PB25297 [0,1,0,0,0,1|2,0,0]=4 455 B9R1.2 Cc1ccnc(n1)CN PB16292 [0,1,0,0,0,1|2,0,0]=4 456 B9R1.2 Cc1ccnc(n1)CO PB24151 [0,1,0,0,0,1|2,0,0]=4 457 B9R1.2 Cc1nccc(n1)C=O AB52721 [0,1,0,0,0,1|1,1,0]=4 458 B9R1.2 Cc1nccc(n1)CCl AB58939 [0,1,0,0,0,1|2,0,0]=4 459 B9R1.2 Cc1nccc(n1)CN AB43194 [0,1,0,0,0,1|2,0,0]=4 460 B9R1.2 c1cc(cc(c1)Br)CBr AB00107 [0,1,0,0,0,1|2,0,0]=4 461 B9R1.2 c1cc(cc(c1)O)CBr MB05606 [0,1,0,0,0,1|1,1,0]=4 462 B9R1.2 c1cc(nc(c1)Br)CCl AB59969 [0,1,0,0,0,1|2,0,0]=4 463 B9R1.2 c1cc(nc(c1)Br)CCl AB59992 [0,1,0,0,0,1|2,0,0]=4 464 B9R1.2 c1cc(nc(c1)Br)CN AB31432 [0,1,0,0,0,1|2,0,0]=4 465 B9R1.2 c1cc(nc(c1)Br)CO PB29304 [0,1,0,0,0,1|2,0,0]=4 466 B9R1.2 c1cc(nc(c1)Cl)CCl AB42311 [0,1,0,0,0,1|2,0,0]=4 467 B9R1.2 c1cc(nc(c1)Cl)CN AB62988 [0,1,0,0,0,1|2,0,0]=4 468 B9R1.2 c1cc(nc(c1)Cl)CO AB42312 [0,1,0,0,0,1|2,0,0]=4 469 B9R1.2 c1cc(nc(c1)F)CCl AB42316 [0,1,0,0,0,1|2,0,0]=4 470 B9R1.2 c1cc(nc(c1)F)CN AB66365 [0,1,0,0,0,1|2,0,0]=4 471 B9R1.2 c1cc(nc(c1)I)CO AB42511 [0,1,0,0,0,1|2,0,0]=4 472 B9R1.2 c1cc(nc(c1)N)CO AB53761 [0,1,0,0,0,1|2,0,0]=4 473 B9R1.2 c1cnc(cc1Br)CCl AB67964 [0,1,0,0,0,1|2,0,0]=4 474 B9R1.2 c1cnc(cc1Br)CN PB17414 [0,1,0,0,0,1|2,0,0]=4 475 B9R1.2 c1cnc(cc1Br)CO PB31388 [0,1,0,0,0,1|2,0,0]=4 476 B9R1.2 c1cnc(cc1Cl)CCl AB42295 [0,1,0,0,0,1|2,0,0]=4 477 B9R1.2 c1cnc(cc1Cl)CCl MB05829 [0,1,0,0,0,1|2,0,0]=4 478 B9R1.2 c1cnc(cc1Cl)CN PB27784 [0,1,0,0,0,1|2,0,0]=4 479 B9R1.2 c1cnc(cc1Cl)CO PB23493 [0,1,0,0,0,1|2,0,0]=4 480 B9R1.2 c1cnc(cc1F)CCl AB68051 [0,1,0,0,0,1|2,0,0]=4 481 B9R1.2 c1cnc(cc1F)CN AB65162 [0,1,0,0,0,1|2,0,0]=4 482 B9R1.2 c1cnc(cc1O)CN MB14853 [0,1,0,0,0,1|1,1,0]=4 483 B9R1.2 c1cnc(nc1Cl)CCl AB59104 [0,1,0,0,0,1|2,0,0]=4 484 B9R1.2 c1cnc(nc1Cl)CN AB05129 [0,1,0,0,0,1|2,0,0]=4 485 B9R1.2 c1cnc(nc1Cl)CO AB64233 [0,1,0,0,0,1|2,0,0]=4 486 B9R1.2 c1cnc(nc1N)CCl AB59419 [0,1,0,0,0,1|2,0,0]=4 487 B9R1.2 c1cnc(nc1N)CN AB62661 [0,1,0,0,0,1|2,0,0]=4 488 B9R1.2 c1cnc(nc1O)CCl AB59397 [0,1,0,0,0,1|1,1,0]=4 489 B9R1.2 c1cnc(nc1O)CN AB63186 [0,1,0,0,0,1|1,1,0]=4 490 B9R1.3 Cc1c(c(ccn1)Br)Cl AB63983 [0,1,0,0,0,1|2,0,0]=4 491 B9R1.3 Cc1c(c(ccn1)Cl)Br AB63984 [0,1,0,0,0,1|2,0,0]=4 492 B9R1.3 Cc1c(c(ccn1)Cl)Cl AB53567 [0,1,0,0,0,1|2,0,0]=4 493 B9R1.3 Cc1c(c(ccn1)Cl)N AB70877 [0,1,0,0,0,1|2,0,0]=4 494 B9R1.3 Cc1c(c(ccn1)Cl)O AB71205 [0,1,0,0,0,1|2,0,0]=4 495 B9R1.3 Cc1c(c(ccn1)F)Br AB71088 [0,1,0,0,0,1|2,0,0]=4 496 B9R1.3 Cc1c(c(ccn1)F)N AB70905 [0,1,0,0,0,1|2,0,0]=4 497 B9R1.3 Cc1c(c(ccn1)F)O AB71324 [0,1,0,0,0,1|2,0,0]=4 498 B9R1.3 Cc1c(c(ccn1)N)Cl AB51074 [0,1,0,0,0,1|2,0,0]=4 499 B9R1.3 Cc1c(c(ccn1)N)N AB55860 [0,1,0,0,0,1|2,0,0]=4 500 B9R1.3 Cc1c(c(ccn1)O)Cl AB71193 [0,1,0,0,0,1|1,1,0]=4 501 B9R1.3 Cc1c(nccc1Br)C AB74548 [0,1,0,0,0,1|2,0,0]=4 502 B9R1.3 Cc1c(nccc1Cl)C AB72126 [0,1,0,0,0,1|2,0,0]=4 503 B9R1.3 Cc1c(nccc1N)C AB01511 [0,1,0,0,0,1|2,0,0]=4 504 B9R1.3 Cc1c(nccc1O)C AB75493 [0,1,0,0,0,1|1,1,0]=4 505 B9R1.3 Cc1cccc(c1Br)O MB08359 [0,1,0,0,0,1|1,1,0]=4 506 B9R1.3 Cc1cccc(c1Cl)O MB00390 [0,1,0,0,0,1|1,1,0]=4 507 B9R1.3 Cc1cccc(c1F)N AB25121 [0,1,0,0,0,1|2,0,0]=4 508 B9R1.3 Cc1cccc(c1I)O MB23494 [0,1,0,0,0,1|1,1,0]=4 509 B9R1.3 Cc1cccc(c1N)Br MB03160 [0,1,0,0,0,1|2,0,0]=4 510 B9R1.3 Cc1cccc(c1N)F MB03934 [0,1,0,0,0,1|2,0,0]=4 511 B9R1.3 Cc1cccc(c1O)F MB11516 [0,1,0,0,0,1|2,0,0]=4 512 B9R1.3 Cc1cccc(c1O)I MB23471 [0,1,0,0,0,1|2,0,0]=4 513 B9R1.3 Cc1cccc(c1O)N MB02950 [0,1,0,0,0,1|2,0,0]=4 514 B9R1.3 Cc1ccnc(c1Br)C AB53712 [0,1,0,0,0,1|2,0,0]=4 515 B9R1.3 Cc1ccnc(c1N)C AB43810 [0,1,0,0,0,1|2,0,0]=4 516 B9R1.3 Cc1ccnc(c1O)C AB43831 [0,1,0,0,0,1|2,0,0]=4 517 B9R1.34 Cc1cc(cc(c1)Br)Cl AB45173 [0,1,0,0,0,1|2,0,0]=4 518 B9R1.34 Cc1cc(cc(c1)Br)F AB10112 [0,1,0,0,0,1|2,0,0]=4 519 B9R1.34 Cc1cc(cc(c1)Br)O MB06890 [0,1,0,0,0,1|1,1,0]=4 520 B9R1.34 Cc1cc(cc(c1)Cl)Cl MB00382 [0,1,0,0,0,1|2,0,0]=4 521 B9R1.34 Cc1cc(cc(c1)Cl)F AB13848 [0,1,0,0,0,1|2,0,0]=4 522 B9R1.34 Cc1cc(cc(c1)Cl)O MB05590 [0,1,0,0,0,1|1,1,0]=4 523 B9R1.34 Cc1cc(cc(c1)I)O MB11871 [0,1,0,0,0,1|1,1,0]=4 524 B9R1.34 Cc1cc(cc(c1)O)N MB00602 [0,1,0,0,0,1|1,1,0]=4 525 B9R1.34 Cc1cc(cc(n1)Br)Cl AB70506 [0,1,0,0,0,1|2,0,0]=4 526 B9R1.34 Cc1cc(cc(n1)Br)F AB71085 [0,1,0,0,0,1|2,0,0]=4 527 B9R1.34 Cc1cc(cc(n1)Br)N AB65433 [0,1,0,0,0,1|2,0,0]=4 528 B9R1.34 Cc1cc(cc(n1)C)Br AB06743 [0,1,0,0,0,1|2,0,0]=4 529 B9R1.34 Cc1cc(cc(n1)C)Cl AB09599 [0,1,0,0,0,1|2,0,0]=4 530 B9R1.34 Cc1cc(cc(n1)C)N AB03678 [0,1,0,0,0,1|2,0,0]=4 531 B9R1.34 Cc1cc(cc(n1)C)O AB07775 [0,1,0,0,0,1|1,1,0]=4 532 B9R1.34 Cc1cc(cc(n1)Cl)Cl AB46092 [0,1,0,0,0,1|2,0,0]=4 533 B9R1.34 Cc1cc(cc(n1)Cl)N AB05304 [0,1,0,0,0,1|2,0,0]=4 534 B9R1.34 Cc1cc(cc(n1)F)Br AB71093 [0,1,0,0,0,1|2,0,0]=4 535 B9R1.34 Cc1cc(cc(n1)N)Cl AB07298 [0,1,0,0,0,1|2,0,0]=4 536 B9R1.34 Cc1cc(cc(n1)N)F AB70902 [0,1,0,0,0,1|2,0,0]=4 537 B9R1.34 Cc1cc(cc(n1)O)Cl AB71203 [0,1,0,0,0,1|1,1,0]=4 538 B9R1.34 Cc1cc(cc(n1)O)F AB71321 [0,1,0,0,0,1|1,1,0]=4 539 B9R1.34 Cc1cc(cc(n1)O)O AB10075 [0,1,0,0,0,1|1,1,0]=4 540 B9R1.34 Cc1cc(nc(c1)Br)C AB03103 [0,1,0,0,0,1|2,0,0]=4 541 B9R1.34 Cc1cc(nc(c1)N)C AB00706 [0,1,0,0,0,1|2,0,0]=4 542 B9R1.34 Cc1cc(nc(c1)O)C AB07368 [0,1,0,0,0,1|1,1,0]=4 543 B9R1.34 Cc1cc(nc(n1)C)Cl AB05193 [0,1,0,0,0,1|2,0,0]=4 544 B9R1.34 Cc1cc(nc(n1)C)O AB00587 [0,1,0,0,0,1|1,1,0]=4 545 B9R1.34 Cc1nc(cc(n1)Cl)Cl PB20912 [0,1,0,0,0,1|2,0,0]=4 546 B9R1.34 Cc1nc(cc(n1)Cl)N PB26286 [0,1,0,0,0,1|2,0,0]=4 547 B9R1.69 Cc1c(ccc(n1)Br)Cl AB63580 [0,1,0,0,0,1|2,0,0]=4 548 B9R1.69 Cc1c(ccc(n1)Br)F AB13446 [0,1,0,0,0,1|2,0,0]=4 549 B9R1.69 Cc1c(ccc(n1)Br)N PB20014 [0,1,0,0,0,1|2,0,0]=4 550 B9R1.69 Cc1c(ccc(n1)Cl)Br AB41208 [0,1,0,0,0,1|2,0,0]=4 551 B9R1.69 Cc1c(ccc(n1)Cl)N PB20018 [0,1,0,0,0,1|2,0,0]=4 552 B9R1.69 Cc1c(ccc(n1)F)Br AB13479 [0,1,0,0,0,1|2,0,0]=4 553 B9R1.69 Cc1c(ccc(n1)I)Br MB09866 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.69 Cc1c(ccc(n1)N)Br AB02783 [0,1,0,0,0,1|2,0,0]=4 555 B9R1.69 Cc1c(ccc(n1)N)Cl AB50593 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.69 Cc1c(ccc(n1)N)F AB53307 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.69 Cc1c(ccc(n1)N)I AB20800 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.69 Cc1c(ccc(n1)O)Br AB15079 [0,1,0,0,0,1|1,1,0]=4 559 B9R1.69 Cc1c(ccc(n1)O)Cl AB71196 [0,1,0,0,0,1|1,1,0]=4 560 B9R1.69 Cc1c(ccc(n1)O)F AB71316 [0,1,0,0,0,1|1,1,0]=4 561 B9R1.69 Cc1c(ccc(n1)O)N AB41212 [0,1,0,0,0,1|1,1,0]=4 562 B9R1.69 Cc1c(cnc(n1)C)Br AB70482 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.69 Cc1cc(c(cn1)Br)Cl PB25215 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.69 Cc1cc(c(cn1)Br)F AB74992 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.69 Cc1cc(c(cn1)Br)N PB10415 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.69 Cc1cc(c(cn1)C)Br AB05202 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.69 Cc1cc(c(cn1)C)N AB05308 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.69 Cc1cc(c(cn1)C)O AB66580 [0,1,0,0,0,1|1,1,0]=4 569 B9R1.69 Cc1cc(c(cn1)Cl)Br AB71664 [0,1,0,0,0,1|2,0,0]=4 570 B9R1.69 Cc1cc(c(cn1)Cl)I AB71748 [0,1,0,0,0,1|2,0,0]=4 571 B9R1.69 Cc1cc(c(cn1)Cl)N AB40682 [0,1,0,0,0,1|2,0,0]=4 572 B9R1.69 Cc1cc(c(cn1)Cl)O AB69303 [0,1,0,0,0,1|1,1,0]=4 573 B9R1.69 Cc1cc(c(cn1)F)Br AB74121 [0,1,0,0,0,1|2,0,0]=4 574 B9R1.69 Cc1cc(c(cn1)F)N AB70850 [0,1,0,0,0,1|2,0,0]=4 575 B9R1.69 Cc1cc(c(cn1)N)Br AB68541 [0,1,0,0,0,1|2,0,0]=4 576 B9R1.69 Cc1cc(c(cn1)N)Cl AB64291 [0,1,0,0,0,1|2,0,0]=4 577 B9R1.69 Cc1cc(c(cn1)N)F AB73537 [0,1,0,0,0,1|2,0,0]=4 578 B9R1.69 Cc1cc(c(cn1)N)N AB51224 [0,1,0,0,0,1|2,0,0]=4 579 B9R1.69 Cc1cc(c(cn1)O)Cl AB75747 [0,1,0,0,0,1|2,0,0]=4 580 B9R1.69 Cc1cc(c(cn1)O)F AB74750 [0,1,0,0,0,1|2,0,0]=4 581 B9R1.69 Cc1cc(cc[n+]1[O-])Br AB70404 [0,1,0,0,0,1|2,0,0]=4 582 B9R1.69 Cc1cc(ccc1I)O MB06793 [0,1,0,0,0,1|1,1,0]=4 583 B9R1.69 Cc1cc(ncc1Br)C AB53714 [0,1,0,0,0,1|2,0,0]=4 584 B9R1.69 Cc1cc(ncc1N)C AB41994 [0,1,0,0,0,1|2,0,0]=4 585 B9R1.69 Cc1cc(ncc1O)C AB44457 [0,1,0,0,0,1|2,0,0]=4 586 B9R1.69 Cc1ccc(c(c1)Br)S AB16734 [0,1,0,0,0,1|2,0,0]=4 587 B9R1.69 Cc1ccc(c(c1)F)Br AB01835 [0,1,0,0,0,1|2,0,0]=4 588 B9R1.69 Cc1ccc(c(c1)I)O MB00839 [0,1,0,0,0,1|2,0,0]=4 589 B9R1.69 Cc1ccc(c(c1)N)Br AB09930 [0,1,0,0,0,1|2,0,0]=4 590 B9R1.69 Cc1ccc(c(c1)O)Br MB09252 [0,1,0,0,0,1|1,1,0]=4 591 B9R1.69 Cc1ccc(c(c1)O)I MB23426 [0,1,0,0,0,1|1,1,0]=4 592 B9R1.69 Cc1ccc(c(c1)O)N AB00890 [0,1,0,0,0,1|1,1,0]=4 593 B9R1.69 Cc1ccc(c(n1)Br)N AB13459 [0,1,0,0,0,1|2,0,0]=4 594 B9R1.69 Cc1ccc(c(n1)Br)O PB10360 [0,1,0,0,0,1|2,0,0]=4 595 B9R1.69 Cc1ccc(c(n1)C)Br AB05311 [0,1,0,0,0,1|2,0,0]=4 596 B9R1.69 Cc1ccc(c(n1)Cl)Br AB13590 [0,1,0,0,0,1|2,0,0]=4 597 B9R1.69 Cc1ccc(c(n1)Cl)N AB13580 [0,1,0,0,0,1|2,0,0]=4 598 B9R1.69 Cc1ccc(c(n1)Cl)O AB42392 [0,1,0,0,0,1|2,0,0]=4 599 B9R1.69 Cc1ccc(c(n1)F)N AB13597 [0,1,0,0,0,1|2,0,0]=4 600 B9R1.69 Cc1ccc(c(n1)N)Br AB13584 [0,1,0,0,0,1|2,0,0]=4 601 B9R1.69 Cc1ccc(c(n1)N)Cl AB41203 [0,1,0,0,0,1|2,0,0]=4 602 B9R1.69 Cc1ccc(c(n1)N)N AB15083 [0,1,0,0,0,1|2,0,0]=4 603 B9R1.69 Cc1ccc(c(n1)N)O AB53537 [0,1,0,0,0,1|2,0,0]=4 604 B9R1.69 Cc1ccc(c(n1)O)Br AB13586 [0,1,0,0,0,1|1,1,0]=4 605 B9R1.69 Cc1ccc(c(n1)O)Cl AB41205 [0,1,0,0,0,1|1,1,0]=4 606 B9R1.69 Cc1ccc(nc1Br)C AB65454 [0,1,0,0,0,1|2,0,0]=4 607 B9R1.69 Cc1ccc(nc1C)Br AB64947 [0,1,0,0,0,1|2,0,0]=4 608 B9R1.69 Cc1ccc(nc1C)N AB23050 [0,1,0,0,0,1|2,0,0]=4 609 B9R1.69 Cc1ccc(nc1C)O AB54521 [0,1,0,0,0,1|1,1,0]=4 610 B9R1.69 Cc1ccc(nc1N)C AB25382 [0,1,0,0,0,1|2,0,0]=4 611 B9R1.69 Cc1ccc(nc1O)C AB71286 [0,1,0,0,0,1|1,1,0]=4 612 B9R1.69 Cc1cnc(nc1Cl)C AB51539 [0,1,0,0,0,1|2,0,0]=4 613 B9R1.69 Cc1cnc(nc1N)C AB54986 [0,1,0,0,0,1|2,0,0]=4 614 B9R1.69 Cc1cnc(nc1O)C AB21544 [0,1,0,0,0,1|1,1,0]=4 615 B9R1.69 Cc1ncc(c(n1)Cl)F AB52955 [0,1,0,0,0,1|2,0,0]=4 616 B9R1.69 Cc1ncc(c(n1)N)N AB70427 [0,1,0,0,0,1|2,0,0]=4 617 B9R1.69 Cc1ncc(c(n1)O)F AB04979 [0,1,0,0,0,1|1,1,0]=4 618 B9R1.69 c1cc(c(cc1Br)S)N AB07437 [0,1,0,0,0,1|2,0,0]=4 619 B9R1.69 c1cc(c(cc1Cl)S)N AB13353 [0,1,0,0,0,1|2,0,0]=4 620 B9R1.69 c1cc(c(cc1F)S)N AB54817 [0,1,0,0,0,1|2,0,0]=4 621 B9R1.15 CCc1c(cccn1)Br AB68544 [0,1,0,0,0,1|2,0,0]=4 622 B9R1.15 CCc1c(cccn1)O MB01433 [0,1,0,0,0,1|1,1,0]=4 623 B9R1.15 CCc1c(cncn1)F PB21906 [0,1,0,0,0,1|2,0,0]=4 624 B9R1.15 CCc1ccncc1O MB12325 [0,1,0,0,0,1|1,1,0]=4 625 B9R1.15 CCc1cnccc1Br PB37149 [0,1,0,0,0,1|2,0,0]=4 626 B9R1.15 CCc1cnccc1O MB24095 [0,1,0,0,0,1|1,1,0]=4 627 B9R1.15 CNc1c(nccn1)Cl MB13992 [0,1,0,0,0,1|2,0,0]=4 628 B9R1.15 CNc1cccnc1Br AB39252 [0,1,0,0,0,1|2,0,0]=4 629 B9R1.15 CNc1ccncc1O MB27525 [0,1,0,0,0,1|1,1,0]=4 630 B9R1.15 CNc1cnccc1O MB29366 [0,1,0,0,0,1|1,1,0]=4 631 B9R1.15 COc1c(cccn1)Br PB20024 [0,1,0,0,0,1|2,0,0]=4 632 B9R1.15 COc1c(cccn1)Cl AB13603 [0,1,0,0,0,1|2,0,0]=4 633 B9R1.15 COc1c(cccn1)F AB13397 [0,1,0,0,0,1|2,0,0]=4 634 B9R1.15 COc1c(cccn1)I AB13400 [0,1,0,0,0,1|2,0,0]=4 635 B9R1.15 COc1c(cccn1)N AB07386 [0,1,0,0,0,1|2,0,0]=4 636 B9R1.15 COc1c(cccn1)O AB06074 [0,1,0,0,0,1|1,1,0]=4 637 B9R1.15 COc1c(nccn1)Cl MB02506 [0,1,0,0,0,1|2,0,0]=4 638 B9R1.15 COc1c(nccn1)N AB22450 [0,1,0,0,0,1|2,0,0]=4 639 B9R1.15 COc1cccnc1Br PB29151 [0,1,0,0,0,1|2,0,0]=4 640 B9R1.15 COc1cccnc1Cl AB14749 [0,1,0,0,0,1|2,0,0]=4 641 B9R1.15 COc1cccnc1I AB05182 [0,1,0,0,0,1|2,0,0]=4 642 B9R1.15 COc1cccnc1N AB40614 [0,1,0,0,0,1|2,0,0]=4 643 B9R1.15 COc1cccnc1O AB43293 [0,1,0,0,0,1|1,1,0]=4 644 B9R1.15 COc1ccncc1Br AB22230 [0,1,0,0,0,1|2,0,0]=4 645 B9R1.15 COc1ccncc1Cl AB51203 [0,1,0,0,0,1|2,0,0]=4 646 B9R1.15 COc1ccncc1F AB66775 [0,1,0,0,0,1|2,0,0]=4 647 B9R1.15 COc1ccncc1I AB09106 [0,1,0,0,0,1|2,0,0]=4 648 B9R1.15 COc1ccncc1N AB40817 [0,1,0,0,0,1|2,0,0]=4 649 B9R1.15 COc1ccncc1O MB09117 [0,1,0,0,0,1|1,1,0]=4 650 B9R1.15 COc1cnccc1Br AB43705 [0,1,0,0,0,1|2,0,0]=4 651 B9R1.15 COc1cnccc1Br MB09674 [0,1,0,0,0,1|2,0,0]=4 652 B9R1.15 COc1cnccc1Cl AB66368 [0,1,0,0,0,1|2,0,0]=4 653 B9R1.15 COc1cnccc1F AB66590 [0,1,0,0,0,1|2,0,0]=4 654 B9R1.15 COc1cnccc1N AB55709 [0,1,0,0,0,1|2,0,0]=4 655 B9R1.15 COc1cnccc1O MB25455 [0,1,0,0,0,1|1,1,0]=4 656 B9R1.15 CSc1c(cccn1)O MB01598 [0,1,0,0,0,1|1,1,0]=4 657 B9R1.15 CSc1cccnc1Br MB13966 [0,1,0,0,0,1|2,0,0]=4 658 B9R1.15 CSc1ccncc1O MB25632 [0,1,0,0,0,1|1,1,0]=4 659 B9R1.15 CSc1cnccc1O MB31499 [0,1,0,0,0,1|1,1,0]=4 660 B9R1.15 Cc1c(cccn1)C#C AB66573 [0,1,0,0,0,1|2,0,0]=4 661 B9R1.15 Cc1c(cccn1)C#N PB23449 [0,1,0,0,0,1|2,0,0]=4 662 B9R1.15 Cc1c(cccn1)C=O PB27878 [0,1,0,0,0,1|1,1,0]=4 663 B9R1.15 Cc1c(cccn1)CBr PB19196 [0,1,0,0,0,1|2,0,0]=4 664 B9R1.15 Cc1c(cccn1)CCl AB51469 [0,1,0,0,0,1|2,0,0]=4 665 B9R1.15 Cc1c(cccn1)CCl PB28159 [0,1,0,0,0,1|2,0,0]=4 666 B9R1.15 Cc1c(cccn1)CN AB14093 [0,1,0,0,0,1|2,0,0]=4 667 B9R1.15 Cc1c(cccn1)CO AB01512 [0,1,0,0,0,1|1,1,0]=4 668 B9R1.15 Cc1c(cccn1)OC AB03569 [0,1,0,0,0,1|1,1,0]=4 669 B9R1.15 Cc1c(nccn1)C#N AB48635 [0,1,0,0,0,1|2,0,0]=4 670 B9R1.15 Cc1c(nccn1)C=O PB13166 [0,1,0,0,0,1|1,1,0]=4 671 B9R1.15 Cc1c(nccn1)CCl PB22746 [0,1,0,0,0,1|2,0,0]=4 672 B9R1.15 Cc1c(nccn1)CN PB38635 [0,1,0,0,0,1|2,0,0]=4 673 B9R1.15 Cc1c(nccn1)CO PB22269 [0,1,0,0,0,1|1,1,0]=4 674 B9R1.15 Cc1cccnc1C=O PB14292 [0,1,0,0,0,1|1,1,0]=4 675 B9R1.15 Cc1cccnc1CCl PB32645 [0,1,0,0,0,1|2,0,0]=4 676 B9R1.15 Cc1cccnc1CN AB20671 [0,1,0,0,0,1|2,0,0]=4 677 B9R1.15 Cc1cccnc1CO AB12590 [0,1,0,0,0,1|1,1,0]=4 678 B9R1.15 Cc1cccnc1OC AB31414 [0,1,0,0,0,1|1,1,0]=4 679 B9R1.15 Cc1ccncc1C#C AB66569 [0,1,0,0,0,1|2,0,0]=4 680 B9R1.15 Cc1ccncc1C#N PB24636 [0,1,0,0,0,1|2,0,0]=4 681 B9R1.15 Cc1ccncc1C=O PB23498 [0,1,0,0,0,1|1,1,0]=4 682 B9R1.15 Cc1ccncc1CCl PB22427 [0,1,0,0,0,1|2,0,0]=4 683 B9R1.15 Cc1ccncc1CN PB14440 [0,1,0,0,0,1|2,0,0]=4 684 B9R1.15 Cc1ccncc1CO PB21746 [0,1,0,0,0,1|1,1,0]=4 685 B9R1.15 Cc1ccnnc1CN PB36913 [0,1,0,0,0,1|2,0,0]=4 686 B9R1.15 Cc1cnccc1C#C AB66570 [0,1,0,0,0,1|2,0,0]=4 687 B9R1.15 Cc1cnccc1C#N PB23623 [0,1,0,0,0,1|2,0,0]=4 688 B9R1.15 Cc1cnccc1C=O AB11481 [0,1,0,0,0,1|1,1,0]=4 689 B9R1.15 Cc1cnccc1CCl PB24122 [0,1,0,0,0,1|2,0,0]=4 690 B9R1.15 Cc1cnccc1CN AB17090 [0,1,0,0,0,1|2,0,0]=4 691 B9R1.15 Cc1cnccc1CO PB32359 [0,1,0,0,0,1|1,1,0]=4 692 B9R1.15 c1cc(c(nc1)Br)CBr MB06085 [0,1,0,0,0,1|2,0,0]=4 693 B9R1.15 c1cc(c(nc1)Br)CCl AB60077 [0,1,0,0,0,1|2,0,0]=4 694 B9R1.15 c1cc(c(nc1)Br)CN AB41824 [0,1,0,0,0,1|2,0,0]=4 695 B9R1.15 c1cc(c(nc1)Br)CO AB44846 [0,1,0,0,0,1|2,0,0]=4 696 B9R1.15 c1cc(c(nc1)CBr)F PB10918 [0,1,0,0,0,1|2,0,0]=4 697 B9R1.15 c1cc(c(nc1)CCl)Br AB67649 [0,1,0,0,0,1|2,0,0]=4 698 B9R1.15 c1cc(c(nc1)CCl)Cl AB60061 [0,1,0,0,0,1|2,0,0]=4 699 B9R1.15 c1cc(c(nc1)CCl)F PB14946 [0,1,0,0,0,1|2,0,0]=4 700 B9R1.15 c1cc(c(nc1)CCl)N AB31890 [0,1,0,0,0,1|2,0,0]=4 701 B9R1.15 c1cc(c(nc1)CN)Br AB67637 [0,1,0,0,0,1|2,0,0]=4 702 B9R1.15 c1cc(c(nc1)CN)Cl PB26156 [0,1,0,0,0,1|2,0,0]=4 703 B9R1.15 c1cc(c(nc1)CN)F AB55320 [0,1,0,0,0,1|2,0,0]=4 704 B9R1.15 c1cc(c(nc1)CN)F PB13118 [0,1,0,0,0,1|2,0,0]=4 705 B9R1.15 c1cc(c(nc1)CN)N AB48448 [0,1,0,0,0,1|2,0,0]=4 706 B9R1.15 c1cc(c(nc1)CN)O MB01728 [0,1,0,0,0,1|1,1,0]=4 707 B9R1.15 c1cc(c(nc1)CO)Cl AB63515 [0,1,0,0,0,1|2,0,0]=4 708 B9R1.15 c1cc(c(nc1)CO)F PB22208 [0,1,0,0,0,1|2,0,0]=4 709 B9R1.15 c1cc(c(nc1)CO)N AB31896 [0,1,0,0,0,1|2,0,0]=4 710 B9R1.15 c1cc(c(nc1)CO)O MB00702 [0,1,0,0,0,1|1,1,0]=4 711 B9R1.15 c1cc(c(nc1)Cl)CCl PB14751 [0,1,0,0,0,1|2,0,0]=4 712 B9R1.15 c1cc(c(nc1)Cl)CO PB27555 [0,1,0,0,0,1|2,0,0]=4 713 B9R1.15 c1cc(c(nc1)F)CCl AB60073 [0,1,0,0,0,1|2,0,0]=4 714 B9R1.15 c1cc(c(nc1)F)CN AB23466 [0,1,0,0,0,1|2,0,0]=4 715 B9R1.15 c1cc(c(nc1)N)CCl AB21190 [0,1,0,0,0,1|2,0,0]=4 716 B9R1.15 c1cc(c(nc1)N)CO PB32383 [0,1,0,0,0,1|2,0,0]=4 717 B9R1.15 c1cc(c(nc1)O)CO AB52938 [0,1,0,0,0,1|1,1,0]=4 718 B9R1.15 c1ccc(c(c1)CI)O MB07048 [0,1,0,0,0,1|1,1,0]=4 719 B9R1.15 c1ccc(c(c1)CN)O MB01565 [0,1,0,0,0,1|1,1,0]=4 720 B9R1.15 c1cnc(c(n1)CCl)Cl PB22753 [0,1,0,0,0,1|2,0,0]=4 721 B9R1.15 c1cnc(c(n1)CN)Cl PB12787 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.15 c1cnc(c(n1)CN)N AB53146 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.15 c1cnc(c(n1)CO)Cl PB33021 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.15 c1cncc(c1Br)CCl AB67965 [0,1,0,0,0,1|2,0,0]=4 725 B9R1.15 c1cncc(c1Br)CN AB67954 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.15 c1cncc(c1CCl)Br AB67648 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.15 c1cncc(c1CCl)Cl AB67608 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.15 c1cncc(c1CCl)F AB67665 [0,1,0,0,0,1|2,0,0]=4 729 B9R1.15 c1cncc(c1CN)Br AB63141 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.15 c1cncc(c1CN)Cl AB63139 [0,1,0,0,0,1|2,0,0]=4 731 B9R1.15 c1cncc(c1CN)F AB63136 [0,1,0,0,0,1|2,0,0]=4 732 B9R1.15 c1cncc(c1CN)N AB49287 [0,1,0,0,0,1|2,0,0]=4 733 B9R1.15 c1cncc(c1CN)O MB09249 [0,1,0,0,0,1|1,1,0]=4 734 B9R1.15 c1cncc(c1CO)Br PB19192 [0,1,0,0,0,1|2,0,0]=4 735 B9R1.15 c1cncc(c1CO)F PB29849 [0,1,0,0,0,1|2,0,0]=4 736 B9R1.15 c1cncc(c1CO)N AB25787 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.15 c1cncc(c1Cl)CCl AB60091 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.15 c1cncc(c1Cl)CN AB49675 [0,1,0,0,0,1|2,0,0]=4 739 B9R1.15 c1cncc(c1F)CCl AB68054 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.15 c1cncc(c1F)CN AB68023 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.15 c1cncc(c1N)CCl AB31893 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.15 c1cncc(c1N)CO PB14435 [0,1,0,0,0,1|2,0,0]=4 743 B9R1.15 c1cncc(c1O)CN MB35531 [0,1,0,0,0,1|1,1,0]=4 744 B9R1.14 c1csc(c1C#N)CBr AB85279 [0,2,0,0,0,0|1,1,0]=4 745 B9R1.22 Cc1c(oc(n1)C)CO MB08849 [0,2,0,0,0,0|2,0,0]=4 746 B9R1.22 Cc1c(oc(n1)Cl)CCl AB71592 [0,2,0,0,0,0|2,0,0]=4 747 B9R1.22 Cc1c(oc(n1)Cl)CN AB72279 [0,2,0,0,0,0|2,0,0]=4 748 B9R1.27 Cc1c(c(on1)C)C=O AB12163 [0,2,0,0,0,0|1,1,0]=4 749 B9R1.41 B(c1c(cco1)F)(O)O AB73970 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.41 CC(=O)c1c(ccs1)Br AB07140 [0,2,0,0,0,0|1,1,0]=4 751 B9R1.41 CC(=O)c1c(ccs1)N AB02201 [0,2,0,0,0,0|1,1,0]=4 752 B9R1.41 Cc1c(ccs1)C(=O)O AB10003 [0,2,0,0,0,0|0,2,0]=4 753 B9R1.41 Cc1ccoc1C(=O)O AB01137 [0,2,0,0,0,0|1,0,1]=4 754 B9R1.41 c1coc(c1Br)C(=O)O AB03324 [0,2,0,0,0,0|1,0,1]=4 755 B9R1.41 c1coc(c1I)C(=O)O AB85068 [0,2,0,0,0,0|1,0,1]=4 756 B9R1.23 Cc1c(oc(n1)NC)C AB65970 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.23 Cc1cc(sc1C)CN AB72614 [0,2,0,0,0,0|1,1,0]=4 758 B9R1.37 CC1C(=C(C(=O)O1)O)O CB11384 [0,2,0,0,0,0|0,1,1]=4 759 B9R1.37 Cc1c(c(sc1Br)C)Br MB09669 [0,2,0,0,0,0|1,1,0]=4 760 B9R2.3 c1c2c(on1)CNC2 AB76720 [0,1,0,1,0,0|2,0,0]=4