0 B6R1.2 C1C=CC(=O)O1 BC201413 [0,0,0,0,0,0|0,2,1]=3 1 B6R1.2 C1C=CCC1O BC649956 [0,0,0,0,0,0|1,1,2]=4 2 B6R1.2 C1CC(=O)C=C1 BC652225 [0,0,0,0,0,0|1,1,1]=3 3 B6R1.2 C1CSC(=N1)N BC216465 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 Cc1[nH]ccn1 BC228979 [0,0,0,0,0,0|3,0,0]=3 5 B6R1.2 Cc1c[nH]cn1 BC200416 [0,0,0,0,0,0|3,0,0]=3 6 B6R1.2 Cc1c[nH]nc1 BC677698 [0,0,0,0,0,0|4,0,0]=4 7 B6R1.2 Cc1c[nH]nn1 BC655515 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 Cc1ccno1 BC226936 [0,0,0,0,0,0|2,1,0]=3 9 B6R1.2 Cc1nc[nH]n1 BC206611 [0,0,0,0,0,0|4,0,0]=4 10 B6R1.2 Cn1cccn1 BC202050 [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 Cn1ccnc1 BC680917 [0,0,0,0,0,0|4,0,0]=4 12 B6R1.2 Cn1cncn1 BC207617 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.2 c1[nH]nc(n1)Br BC680837 [0,0,0,0,0,0|4,0,0]=4 14 B6R1.2 c1c([nH]cn1)Cl BC220087 [0,0,0,0,0,0|3,0,0]=3 15 B6R1.2 c1c(cn[nH]1)Br BC678439 [0,0,0,0,0,0|4,0,0]=4 16 B6R1.2 c1c(cn[nH]1)Cl BC202155 [0,0,0,0,0,0|4,0,0]=4 17 B6R1.2 c1c(nc[nH]1)Br BC220072 [0,0,0,0,0,0|3,0,0]=3 18 B6R1.2 c1c(nc[nH]1)I BC220439 [0,0,0,0,0,0|3,0,0]=3 19 B6R1.2 c1c(nc[nH]1)N BC686543 [0,0,0,0,0,0|3,0,0]=3 20 B6R1.2 c1c(ncs1)N BC264749 [0,0,0,0,0,0|3,0,0]=3 21 B6R1.2 c1c(scn1)Br BC222081 [0,0,0,0,0,0|2,0,0]=2 22 B6R1.2 c1c(scn1)N BC225246 [0,0,0,0,0,0|2,0,0]=2 23 B6R1.2 c1c(snn1)N BC210162 [0,0,0,0,0,0|3,0,0]=3 24 B6R1.2 c1c[nH]nc1Br BC221788 [0,0,0,0,0,0|3,0,0]=3 25 B6R1.2 c1c[nH]nc1N BC207676 [0,0,0,0,0,0|3,0,0]=3 26 B6R1.2 c1cc(oc1)Br BC675565 [0,0,0,0,0,0|1,1,0]=2 27 B6R1.2 c1cc(sc1)Br BC676814 [0,0,0,0,0,0|1,0,0]=1 28 B6R1.2 c1cc(sc1)Br BC677960 [0,0,0,0,0,0|1,0,0]=1 29 B6R1.2 c1cc(sc1)F BC211749 [0,0,0,0,0,0|1,0,0]=1 30 B6R1.2 c1cnc([nH]1)I BC210637 [0,0,0,0,0,0|3,0,0]=3 31 B6R1.2 c1cnc([nH]1)N BC220007 [0,0,0,0,0,0|3,0,0]=3 32 B6R1.2 c1cnc([nH]1)N BC678011 [0,0,0,0,0,0|3,0,0]=3 33 B6R1.2 c1coc(n1)N BC227830 [0,0,0,0,0,0|2,1,0]=3 34 B6R1.2 c1cocc1Br BC227194 [0,0,0,0,0,0|3,0,0]=3 35 B6R1.2 c1conc1N BC215684 [0,0,0,0,0,0|3,0,0]=3 36 B6R1.2 c1csc(n1)Br BC218796 [0,0,0,0,0,0|2,0,0]=2 37 B6R1.2 c1csc(n1)Cl BC201456 [0,0,0,0,0,0|2,0,0]=2 38 B6R1.2 c1cscc1Br BC210528 [0,0,0,0,0,0|3,0,0]=3 39 B6R1.2 c1cscc1N BC677154 [0,0,0,0,0,0|3,0,0]=3 40 B6R1.2 c1cscc1N BC686803 [0,0,0,0,0,0|3,0,0]=3 41 B5R1.1 C1C=CCN1 BC204537 [1,0,0,0,0,0|1,0,2]=4 42 B5R1.1 C1C=CCN1 BC678848 [1,0,0,0,0,0|1,0,2]=4 43 B5R1.1 C1COC=C1 BC209508 [1,0,0,0,0,0|0,1,2]=4 44 B7R1.1 CCc1cccs1 BC210545 [0,1,0,0,0,0|1,0,0]=2 45 B7R1.1 CSc1[nH]ccn1 BC600114 [0,1,0,0,0,0|2,0,0]=3 46 B7R1.1 c1c([nH]nn1)S[Na] BC214852 [0,1,0,0,0,0|3,0,0]=4 47 B7R1.1 c1c(nc[nH]1)C=O BC207063 [0,1,0,0,0,0|2,1,0]=4 48 B7R1.1 c1c(ncs1)CBr BC658988 [0,1,0,0,0,0|3,0,0]=4 49 B7R1.1 c1c(scn1)C=O BC678913 [0,1,0,0,0,0|1,1,0]=3 50 B7R1.1 c1c(scn1)CO BC200640 [0,1,0,0,0,0|1,1,0]=3 51 B7R1.1 c1c(snn1)S[Na] BC227971 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.1 c1c[nH]nc1C=O BC207627 [0,1,0,0,0,0|2,1,0]=4 53 B7R1.1 c1c[nH]nc1CO BC657829 [0,1,0,0,0,0|2,1,0]=4 54 B7R1.1 c1cc([nH]c1)C=O BC210794 [0,1,0,0,0,0|1,1,0]=3 55 B7R1.1 c1cc([nH]c1)CN BC620340 [0,1,0,0,0,0|2,0,0]=3 56 B7R1.1 c1cc(sc1)C#N BC205596 [0,1,0,0,0,0|1,0,0]=2 57 B7R1.1 c1cc(sc1)C=O BC225721 [0,1,0,0,0,0|0,1,0]=2 58 B7R1.1 c1cnc([nH]1)C=O BC219962 [0,1,0,0,0,0|2,1,0]=4 59 B7R1.1 c1cnc([nH]1)CO BC212206 [0,1,0,0,0,0|2,1,0]=4 60 B7R1.1 c1cnsc1C=O BC677321 [0,1,0,0,0,0|1,1,0]=3 61 B7R1.1 c1coc(n1)CCl BC670136 [0,1,0,0,0,0|2,1,0]=4 62 B7R1.1 c1conc1C#N BC221926 [0,1,0,0,0,0|3,0,0]=4 63 B7R1.1 c1conc1C=O BC201897 [0,1,0,0,0,0|2,1,0]=4 64 B7R1.1 c1csc(n1)CO BC676000 [0,1,0,0,0,0|1,1,0]=3 65 B7R1.1 c1cscc1C=O BC676777 [0,1,0,0,0,0|2,1,0]=4 66 B7R1.1 c1cscc1CN BC655305 [0,1,0,0,0,0|3,0,0]=4 67 B7R1.2 C1=CC(=O)OC1=O BC200750 [0,1,0,0,0,0|0,2,0]=3 68 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,1,0,0,0,0|1,1,1]=4 69 B7R1.2 CC1=CCC(=O)O1 BC205542 [0,1,0,0,0,0|0,2,1]=4 70 B7R1.2 Cc1cc(n[nH]1)C BC227849 [0,1,0,0,0,0|3,0,0]=4 71 B7R1.2 Cc1cc(no1)N BC200452 [0,1,0,0,0,0|2,1,0]=4 72 B7R1.2 Cc1ccc([nH]1)C BC203703 [0,1,0,0,0,0|2,0,0]=3 73 B7R1.2 Cc1cnc(s1)Br BC675562 [0,1,0,0,0,0|2,0,0]=3 74 B7R1.2 Cc1csc(n1)Br BC221845 [0,1,0,0,0,0|2,0,0]=3 75 B7R1.2 Cn1cc(cn1)Br BC679659 [0,1,0,0,0,0|3,0,0]=4 76 B7R1.2 Cn1cc(cn1)N BC262633 [0,1,0,0,0,0|3,0,0]=4 77 B7R1.2 Cn1cc(cn1)N BC265082 [0,1,0,0,0,0|3,0,0]=4 78 B7R1.2 Cn1cc(nc1)I BC220440 [0,1,0,0,0,0|3,0,0]=4 79 B7R1.2 Cn1ccc(n1)N BC202601 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.2 c1(nnc(s1)Br)N BC667528 [0,1,0,0,0,0|3,0,0]=4 81 B7R1.2 c1c(csc1Br)Br BC685091 [0,1,0,0,0,0|1,0,0]=2 82 B7R1.2 c1c(sc(n1)N)Br BC220490 [0,1,0,0,0,0|2,0,0]=3 83 B7R1.2 c1c(sc(n1)N)Cl BC244531 [0,1,0,0,0,0|2,0,0]=3 84 B7R1.2 c1cc(sc1Br)Br BC689401 [0,1,0,0,0,0|1,0,0]=2 85 B7R1.4 Cc1c(nc[nH]1)Br BC645293 [0,1,0,0,0,0|3,0,0]=4 86 B7R1.4 Cc1c(scn1)C BC225737 [0,1,0,0,0,0|2,0,0]=3 87 B7R1.4 Cc1cscc1C BC653364 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.4 Cn1c(=O)ccs1 BC200617 [0,1,0,0,0,0|2,0,0]=3 89 B7R1.4 Cn1c(ccn1)N BC222455 [0,1,0,0,0,0|3,0,0]=4 90 B7R1.4 Cn1ccnc1N BC243320 [0,1,0,0,0,0|3,0,0]=4 91 B7R1.4 Cn1ccnc1S BC204140 [0,1,0,0,0,0|2,0,0]=3 92 B7R1.4 c1csc(c1Br)N BC297033 [0,1,0,0,0,0|1,0,0]=2 93 B5R0.1 C\C=C\C(=O)O BC206359 [0,0,1,0,0,0|0,2,1]=4 94 B5R0.3 COC(=O)C=C BC222749 [0,0,1,0,0,0|0,2,1]=4 95 B7R1.3 C1C=COCC1=O BC245013 [0,0,0,0,0,1|0,2,1]=4 96 B7R1.3 Cc1cccnc1 BC228007 [0,0,0,0,0,1|2,0,0]=3 97 B7R1.3 c1c(cncn1)F BC215541 [0,0,0,0,0,1|3,0,0]=4 98 B7R1.3 c1c(cncn1)O BC228081 [0,0,0,0,0,1|2,1,0]=4 99 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [0,0,0,0,0,1|1,1,0]=3 100 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [0,0,0,0,0,1|1,1,0]=3 101 B7R1.3 c1cc(cnc1)Cl BC209276 [0,0,0,0,0,1|2,0,0]=3 102 B7R1.3 c1cc(cnc1)I BC225230 [0,0,0,0,0,1|2,0,0]=3 103 B7R1.3 c1cc(cnc1)S BC244412 [0,0,0,0,0,1|1,0,0]=2 104 B7R1.3 c1cc(nnc1)Cl BC675997 [0,0,0,0,0,1|2,0,0]=3 105 B7R1.3 c1cc(nnc1)N BC649957 [0,0,0,0,0,1|2,0,0]=3 106 B7R1.3 c1cc[n+](cc1)[O-] BC227085 [0,0,0,0,0,1|2,1,0]=4 107 B7R1.3 c1ccnc(c1)Cl BC653330 [0,0,0,0,0,1|2,0,0]=3 108 B7R1.3 c1cnc(cn1)Cl BC226186 [0,0,0,0,0,1|2,0,0]=3 109 B7R1.3 c1cnc(nc1)N BC209308 [0,0,0,0,0,1|2,0,0]=3 110 B7R1.3 c1cnc(nc1)O BC209309 [0,0,0,0,0,1|1,1,0]=3 111 B7R1.3 c1cnc(nc1)S BC227980 [0,0,0,0,0,1|1,0,0]=2 112 B7R1.3 c1cnc[nH]c1=O BC209585 [0,0,0,0,0,1|1,1,0]=3 113 B7R1.3 c1cnccc1Br BC204910 [0,0,0,0,0,1|2,0,0]=3 114 B7R1.3 c1cnccc1F BC219199 [0,0,0,0,0,1|2,0,0]=3 115 B7R1.3 c1cnccc1F BC227092 [0,0,0,0,0,1|2,0,0]=3 116 B7R1.3 c1cnccc1I BC206126 [0,0,0,0,0,1|2,0,0]=3 117 B7R1.3 c1cnccc1N BC227053 [0,0,0,0,0,1|2,0,0]=3 118 B7R1.3 c1cncnc1Cl BC667224 [0,0,0,0,0,1|2,0,0]=3 119 B7R1.3 c1cncnc1N BC653395 [0,0,0,0,0,1|2,0,0]=3 120 B7R1.3 c1cncnc1O BC228083 [0,0,0,0,0,1|1,1,0]=3 121 B7R1.3 c1cnncc1Br BC659695 [0,0,0,0,0,1|3,0,0]=4 122 B7R1.3 c1cnncc1N BC659705 [0,0,0,0,0,1|3,0,0]=4 123 B8R1.2 C#Cc1ccccn1 BC225212 [0,1,0,0,0,1|2,0,0]=4 124 B8R1.2 C#Cc1ccncc1 BC677907 [0,1,0,0,0,1|2,0,0]=4 125 B8R1.2 C=Cc1cccnc1 BC675972 [0,1,0,0,0,1|2,0,0]=4 126 B8R1.2 CCc1cccnc1 BC223674 [0,1,0,0,0,1|2,0,0]=4 127 B8R1.2 COc1cccnc1 BC653137 [0,1,0,0,0,1|1,1,0]=4 128 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [0,1,0,0,0,1|2,0,0]=4 129 B8R1.2 c1cc(cnc1)C=O BC221128 [0,1,0,0,0,1|1,1,0]=4 130 B8R1.2 c1cc(cnc1)CBr BC258182 [0,1,0,0,0,1|2,0,0]=4 131 B8R1.2 c1cc(cnc1)CBr BC281217 [0,1,0,0,0,1|2,0,0]=4 132 B8R1.2 c1cc(cnc1)CCl BC204269 [0,1,0,0,0,1|2,0,0]=4 133 B8R1.2 c1cc(cnc1)CN BC205833 [0,1,0,0,0,1|2,0,0]=4 134 B8R1.2 c1cc(cnc1)CO BC209311 [0,1,0,0,0,1|1,1,0]=4 135 B8R1.2 c1cc(cnc1)NN BC231979 [0,1,0,0,0,1|2,0,0]=4 136 B8R1.2 c1cc(cnc1)NN BC686688 [0,1,0,0,0,1|2,0,0]=4 137 B8R1.2 c1cc(cnc1)NN BC686691 [0,1,0,0,0,1|2,0,0]=4 138 B8R1.2 c1cc(nnc1)C=O BC667339 [0,1,0,0,0,1|1,1,0]=4 139 B8R1.2 c1ccc(cc1)CBr BC220250 [0,1,0,0,0,1|2,0,0]=4 140 B8R1.2 c1ccc(cc1)CCl BC210975 [0,1,0,0,0,1|2,0,0]=4 141 B8R1.2 c1ccc(cc1)CO BC222892 [0,1,0,0,0,1|1,1,0]=4 142 B8R1.2 c1ccc(cc1)N=O BC684726 [0,1,0,0,0,1|1,1,0]=4 143 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [0,1,0,0,0,1|2,0,0]=4 144 B8R1.2 c1ccnc(c1)CCl BC213218 [0,1,0,0,0,1|2,0,0]=4 145 B8R1.2 c1ccnc(c1)CCl BC227992 [0,1,0,0,0,1|2,0,0]=4 146 B8R1.2 c1cnc(cn1)C=O BC681558 [0,1,0,0,0,1|1,1,0]=4 147 B8R1.2 c1cnc(nc1)C#N BC206497 [0,1,0,0,0,1|2,0,0]=4 148 B8R1.2 c1cnc(nc1)C=O BC228094 [0,1,0,0,0,1|1,1,0]=4 149 B8R1.2 c1cnc(nc1)CCl BC212037 [0,1,0,0,0,1|2,0,0]=4 150 B8R1.2 c1cnc(nc1)CN BC671460 [0,1,0,0,0,1|2,0,0]=4 151 B8R1.2 c1cncnc1C=O BC652156 [0,1,0,0,0,1|1,1,0]=4 152 B8R1.2 c1cncnc1CO BC228082 [0,1,0,0,0,1|1,1,0]=4 153 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [0,1,0,0,0,1|1,1,0]=4 154 B8R1.3 Cc1cc[n+](cc1)[O-] BC222437 [0,1,0,0,0,1|2,0,0]=4 155 B8R1.3 Cc1ccc(cc1)I BC208320 [0,1,0,0,0,1|2,0,0]=4 156 B8R1.3 Cc1ccc(cn1)Br BC200848 [0,1,0,0,0,1|2,0,0]=4 157 B8R1.3 Cc1ccc(cn1)F BC219187 [0,1,0,0,0,1|2,0,0]=4 158 B8R1.3 Cc1ccc(cn1)I BC228957 [0,1,0,0,0,1|2,0,0]=4 159 B8R1.3 Cc1ccc(cn1)N BC202216 [0,1,0,0,0,1|2,0,0]=4 160 B8R1.3 Cc1ccc(cn1)O BC213724 [0,1,0,0,0,1|1,1,0]=4 161 B8R1.3 Cc1ccc(nc1)C BC220412 [0,1,0,0,0,1|2,0,0]=4 162 B8R1.3 Cc1ccc(nc1)Cl BC201252 [0,1,0,0,0,1|2,0,0]=4 163 B8R1.3 Cc1ccc(nc1)F BC219184 [0,1,0,0,0,1|2,0,0]=4 164 B8R1.3 Cc1ccc(nc1)N BC203509 [0,1,0,0,0,1|2,0,0]=4 165 B8R1.3 Cc1cnc(cn1)C BC651592 [0,1,0,0,0,1|2,0,0]=4 166 B8R1.3 Cc1cnc(nc1)Cl BC221851 [0,1,0,0,0,1|2,0,0]=4 167 B8R1.3 Cc1ncc(cn1)N BC228078 [0,1,0,0,0,1|2,0,0]=4 168 B8R1.3 c1c(cnc(n1)Cl)Cl BC228087 [0,1,0,0,0,1|2,0,0]=4 169 B8R1.3 c1c(cnc(n1)Cl)I BC671541 [0,1,0,0,0,1|2,0,0]=4 170 B8R1.3 c1c(cnc(n1)Cl)O BC653325 [0,1,0,0,0,1|2,0,0]=4 171 B8R1.3 c1c(cnc(n1)I)Br BC209318 [0,1,0,0,0,1|2,0,0]=4 172 B8R1.3 c1c(cnc(n1)I)Cl BC225380 [0,1,0,0,0,1|2,0,0]=4 173 B8R1.3 c1c(cnc(n1)N)Br BC209310 [0,1,0,0,0,1|2,0,0]=4 174 B8R1.3 c1c(cnc(n1)N)O BC228066 [0,1,0,0,0,1|2,0,0]=4 175 B8R1.3 c1c(cnc(n1)O)Br BC209314 [0,1,0,0,0,1|1,1,0]=4 176 B8R1.3 c1c(cnc(n1)O)Cl BC674915 [0,1,0,0,0,1|1,1,0]=4 177 B8R1.3 c1c(ncc(n1)Br)N BC222343 [0,1,0,0,0,1|2,0,0]=4 178 B8R1.3 c1c(ncc(n1)Br)O BC679855 [0,1,0,0,0,1|1,1,0]=4 179 B8R1.3 c1c(ncc(n1)Cl)Cl BC686148 [0,1,0,0,0,1|2,0,0]=4 180 B8R1.3 c1c(ncc(n1)Cl)O BC679835 [0,1,0,0,0,1|1,1,0]=4 181 B8R1.3 c1cc(ccc1Br)I BC206965 [0,1,0,0,0,1|2,0,0]=4 182 B8R1.3 c1cc(ccc1Cl)Br BC207086 [0,1,0,0,0,1|2,0,0]=4 183 B8R1.3 c1cc(ccc1Cl)I BC675841 [0,1,0,0,0,1|2,0,0]=4 184 B8R1.3 c1cc(ccc1N)Br BC204243 [0,1,0,0,0,1|2,0,0]=4 185 B8R1.3 c1cc(ccc1N)F BC226190 [0,1,0,0,0,1|2,0,0]=4 186 B8R1.3 c1cc(ccc1N)O BC227837 [0,1,0,0,0,1|1,1,0]=4 187 B8R1.3 c1cc(ccc1N)S BC676770 [0,1,0,0,0,1|1,0,0]=3 188 B8R1.3 c1cc(ccc1O)Br BC228016 [0,1,0,0,0,1|1,1,0]=4 189 B8R1.3 c1cc(ccc1O)I BC226747 [0,1,0,0,0,1|1,1,0]=4 190 B8R1.3 c1cc(ccc1O)O BC207641 [0,1,0,0,0,1|1,1,0]=4 191 B8R1.3 c1cc(n[nH]c1=O)Cl BC225810 [0,1,0,0,0,1|1,1,0]=4 192 B8R1.3 c1cc(ncc1Br)F BC211679 [0,1,0,0,0,1|2,0,0]=4 193 B8R1.3 c1cc(ncc1Br)N BC202223 [0,1,0,0,0,1|2,0,0]=4 194 B8R1.3 c1cc(ncc1Br)O BC219149 [0,1,0,0,0,1|1,1,0]=4 195 B8R1.3 c1cc(ncc1Cl)Br BC202228 [0,1,0,0,0,1|2,0,0]=4 196 B8R1.3 c1cc(ncc1Cl)Cl BC210322 [0,1,0,0,0,1|2,0,0]=4 197 B8R1.3 c1cc(ncc1Cl)F BC201381 [0,1,0,0,0,1|2,0,0]=4 198 B8R1.3 c1cc(ncc1Cl)I BC226646 [0,1,0,0,0,1|2,0,0]=4 199 B8R1.3 c1cc(ncc1F)Cl BC208051 [0,1,0,0,0,1|2,0,0]=4 200 B8R1.3 c1cc(ncc1F)N BC204792 [0,1,0,0,0,1|2,0,0]=4 201 B8R1.3 c1cc(ncc1F)O BC219174 [0,1,0,0,0,1|1,1,0]=4 202 B8R1.3 c1cc(ncc1I)Br BC219151 [0,1,0,0,0,1|2,0,0]=4 203 B8R1.3 c1cc(ncc1I)O BC228859 [0,1,0,0,0,1|1,1,0]=4 204 B8R1.3 c1cc(ncc1N)Br BC213741 [0,1,0,0,0,1|2,0,0]=4 205 B8R1.3 c1cc(ncc1N)Cl BC203573 [0,1,0,0,0,1|2,0,0]=4 206 B8R1.3 c1cc(ncc1N)O BC653280 [0,1,0,0,0,1|1,1,0]=4 207 B8R1.3 c1cc(ncc1O)Br BC208384 [0,1,0,0,0,1|1,1,0]=4 208 B8R1.3 c1cc(ncc1O)Cl BC208468 [0,1,0,0,0,1|1,1,0]=4 209 B8R1.3 c1cc(ncc1O)F BC221861 [0,1,0,0,0,1|1,1,0]=4 210 B8R1.3 c1cc(ncc1O)I BC200349 [0,1,0,0,0,1|1,1,0]=4 211 B8R1.3 c1cc(ncc1O)N BC226650 [0,1,0,0,0,1|1,1,0]=4 212 B8R1.3 c1cc(nnc1Cl)Cl BC225811 [0,1,0,0,0,1|2,0,0]=4 213 B8R1.3 c1cc(nnc1Cl)I BC677311 [0,1,0,0,0,1|2,0,0]=4 214 B8R1.3 c1cc(nnc1N)Cl BC677514 [0,1,0,0,0,1|2,0,0]=4 215 B8R1.3 c1cc(nnc1O)O BC225807 [0,1,0,0,0,1|1,1,0]=4 216 B8R1.4 C1C=NC(=CC1=O)Cl BC208831 [0,1,0,0,0,1|1,1,0]=4 217 B8R1.4 Cc1cc(ccn1)Br BC208673 [0,1,0,0,0,1|2,0,0]=4 218 B8R1.4 Cc1cc(ccn1)Cl BC219169 [0,1,0,0,0,1|2,0,0]=4 219 B8R1.4 Cc1cc(ccn1)O BC208676 [0,1,0,0,0,1|1,1,0]=4 220 B8R1.4 Cc1cc(cnc1)Br BC202211 [0,1,0,0,0,1|2,0,0]=4 221 B8R1.4 Cc1cc(cnc1)N BC208421 [0,1,0,0,0,1|2,0,0]=4 222 B8R1.4 Cc1cc(cnc1)O BC201216 [0,1,0,0,0,1|1,1,0]=4 223 B8R1.4 Cc1cc(ncn1)Cl BC204226 [0,1,0,0,0,1|2,0,0]=4 224 B8R1.4 Cc1cccc(c1)F BC675323 [0,1,0,0,0,1|2,0,0]=4 225 B8R1.4 Cc1cccc(c1)O BC207588 [0,1,0,0,0,1|1,1,0]=4 226 B8R1.4 Cc1cccc(n1)Cl BC227997 [0,1,0,0,0,1|2,0,0]=4 227 B8R1.4 Cc1cccc(n1)N BC202221 [0,1,0,0,0,1|2,0,0]=4 228 B8R1.4 Cc1ccnc(c1)Br BC207069 [0,1,0,0,0,1|2,0,0]=4 229 B8R1.4 Cc1ccnc(c1)F BC219183 [0,1,0,0,0,1|2,0,0]=4 230 B8R1.4 Cc1ccnc(n1)Br BC677913 [0,1,0,0,0,1|2,0,0]=4 231 B8R1.4 Cc1ccnc(n1)Cl BC228088 [0,1,0,0,0,1|2,0,0]=4 232 B8R1.4 Cc1cncc(n1)N BC675568 [0,1,0,0,0,1|2,0,0]=4 233 B8R1.4 c1c(cn[nH]c1=O)I BC244710 [0,1,0,0,0,1|1,1,0]=4 234 B8R1.4 c1c(cncc1Br)Br BC204490 [0,1,0,0,0,1|2,0,0]=4 235 B8R1.4 c1c(cncc1Br)O BC221860 [0,1,0,0,0,1|1,1,0]=4 236 B8R1.4 c1c(cncc1Cl)Cl BC204492 [0,1,0,0,0,1|2,0,0]=4 237 B8R1.4 c1c(cncc1Cl)N BC204497 [0,1,0,0,0,1|2,0,0]=4 238 B8R1.4 c1c(cncc1F)F BC225098 [0,1,0,0,0,1|2,0,0]=4 239 B8R1.4 c1c(cncc1N)N BC227073 [0,1,0,0,0,1|2,0,0]=4 240 B8R1.4 c1c(nc(cn1)Cl)Cl BC203419 [0,1,0,0,0,1|2,0,0]=4 241 B8R1.4 c1c(nc(cn1)Cl)N BC210181 [0,1,0,0,0,1|2,0,0]=4 242 B8R1.4 c1c(ncnc1Cl)N BC210182 [0,1,0,0,0,1|2,0,0]=4 243 B8R1.4 c1c(ncnc1N)N BC211173 [0,1,0,0,0,1|2,0,0]=4 244 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [0,1,0,0,0,1|1,1,0]=4 245 B8R1.4 c1cc(cc(c1)Br)Br BC675855 [0,1,0,0,0,1|2,0,0]=4 246 B8R1.4 c1cc(cc(c1)Br)S BC667223 [0,1,0,0,0,1|1,0,0]=3 247 B8R1.4 c1cc(cc(c1)Cl)Cl BC205103 [0,1,0,0,0,1|2,0,0]=4 248 B8R1.4 c1cc(cc(c1)I)Br BC675850 [0,1,0,0,0,1|2,0,0]=4 249 B8R1.4 c1cc(cc(c1)I)N BC213647 [0,1,0,0,0,1|2,0,0]=4 250 B8R1.4 c1cc(cc(c1)O)O BC207605 [0,1,0,0,0,1|1,1,0]=4 251 B8R1.4 c1cc(nc(c1)Br)F BC219144 [0,1,0,0,0,1|2,0,0]=4 252 B8R1.4 c1cc(nc(c1)Br)N BC207509 [0,1,0,0,0,1|2,0,0]=4 253 B8R1.4 c1cc(nc(c1)Cl)N BC201207 [0,1,0,0,0,1|2,0,0]=4 254 B8R1.4 c1cc(nc(c1)F)N BC222333 [0,1,0,0,0,1|2,0,0]=4 255 B8R1.4 c1cc(nc(c1)N)N BC200771 [0,1,0,0,0,1|2,0,0]=4 256 B8R1.4 c1cnc(cc1Br)Br BC204489 [0,1,0,0,0,1|2,0,0]=4 257 B8R1.4 c1cnc(cc1Br)Cl BC204493 [0,1,0,0,0,1|2,0,0]=4 258 B8R1.4 c1cnc(cc1Br)N BC225238 [0,1,0,0,0,1|2,0,0]=4 259 B8R1.4 c1cnc(cc1Br)O BC228856 [0,1,0,0,0,1|1,1,0]=4 260 B8R1.4 c1cnc(cc1Cl)Br BC204494 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.4 c1cnc(cc1Cl)Cl BC204488 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.4 c1cnc(cc1Cl)N BC225236 [0,1,0,0,0,1|2,0,0]=4 263 B8R1.4 c1cnc(cc1F)Br BC226649 [0,1,0,0,0,1|2,0,0]=4 264 B8R1.4 c1cnc(cc1F)Cl BC226637 [0,1,0,0,0,1|2,0,0]=4 265 B8R1.4 c1cnc(cc1F)F BC212172 [0,1,0,0,0,1|2,0,0]=4 266 B8R1.4 c1cnc(cc1F)N BC670027 [0,1,0,0,0,1|2,0,0]=4 267 B8R1.4 c1cnc(cc1I)F BC225099 [0,1,0,0,0,1|2,0,0]=4 268 B8R1.4 c1cnc(cc1N)Br BC205180 [0,1,0,0,0,1|2,0,0]=4 269 B8R1.4 c1cnc(cc1N)Cl BC227047 [0,1,0,0,0,1|2,0,0]=4 270 B8R1.4 c1cnc(cc1N)F BC227044 [0,1,0,0,0,1|2,0,0]=4 271 B8R1.4 c1cnc(cc1N)N BC227163 [0,1,0,0,0,1|2,0,0]=4 272 B8R1.4 c1cnc(cc1O)Br BC208749 [0,1,0,0,0,1|1,1,0]=4 273 B8R1.4 c1cnc(cc1O)F BC656317 [0,1,0,0,0,1|1,1,0]=4 274 B8R1.4 c1cnc(cc1O)N BC222335 [0,1,0,0,0,1|1,1,0]=4 275 B8R1.4 c1cnc(cc1O)O BC208052 [0,1,0,0,0,1|1,1,0]=4 276 B8R1.4 c1cnc(nc1Cl)Cl BC206162 [0,1,0,0,0,1|2,0,0]=4 277 B8R1.4 c1cnc(nc1Cl)N BC201228 [0,1,0,0,0,1|2,0,0]=4 278 B8R1.5 Cc1c(cccn1)Br BC225550 [0,1,0,0,0,1|2,0,0]=4 279 B8R1.5 Cc1c(cccn1)Cl BC656264 [0,1,0,0,0,1|2,0,0]=4 280 B8R1.5 Cc1c(cccn1)F BC677139 [0,1,0,0,0,1|2,0,0]=4 281 B8R1.5 Cc1c(cccn1)N BC219118 [0,1,0,0,0,1|2,0,0]=4 282 B8R1.5 Cc1c(cccn1)O BC225229 [0,1,0,0,0,1|1,1,0]=4 283 B8R1.5 Cc1c(cncn1)N BC202066 [0,1,0,0,0,1|2,0,0]=4 284 B8R1.5 Cc1c(nccn1)Cl BC686305 [0,1,0,0,0,1|2,0,0]=4 285 B8R1.5 Cc1cccc[n+]1[O-] BC213117 [0,1,0,0,0,1|2,0,0]=4 286 B8R1.5 Cc1cccnc1Br BC227989 [0,1,0,0,0,1|2,0,0]=4 287 B8R1.5 Cc1cccnc1N BC225899 [0,1,0,0,0,1|2,0,0]=4 288 B8R1.5 Cc1cccnc1O BC225228 [0,1,0,0,0,1|1,1,0]=4 289 B8R1.5 Cc1ccncc1C BC667797 [0,1,0,0,0,1|2,0,0]=4 290 B8R1.5 Cc1ccncc1F BC219203 [0,1,0,0,0,1|2,0,0]=4 291 B8R1.5 Cc1ccncc1N BC207827 [0,1,0,0,0,1|2,0,0]=4 292 B8R1.5 Cc1ccncc1O BC656328 [0,1,0,0,0,1|1,1,0]=4 293 B8R1.5 Cc1cnccc1Br BC201979 [0,1,0,0,0,1|2,0,0]=4 294 B8R1.5 Cc1cnccc1Br BC219154 [0,1,0,0,0,1|2,0,0]=4 295 B8R1.5 Cc1cnccc1Cl BC219170 [0,1,0,0,0,1|2,0,0]=4 296 B8R1.5 Cn1cccnc1=O BC224691 [0,1,0,0,0,1|1,1,0]=4 297 B8R1.5 c1c(c(=O)nc[nH]1)Br BC666251 [0,1,0,0,0,1|1,1,0]=4 298 B8R1.5 c1c(c(=O)nc[nH]1)O BC655988 [0,1,0,0,0,1|1,1,0]=4 299 B8R1.5 c1c(c(ncn1)Cl)Cl BC222340 [0,1,0,0,0,1|2,0,0]=4 300 B8R1.5 c1c(c(ncn1)Cl)I BC674947 [0,1,0,0,0,1|2,0,0]=4 301 B8R1.5 c1cc(c(nc1)Br)F BC227112 [0,1,0,0,0,1|2,0,0]=4 302 B8R1.5 c1cc(c(nc1)Br)N BC207481 [0,1,0,0,0,1|2,0,0]=4 303 B8R1.5 c1cc(c(nc1)Br)O BC206638 [0,1,0,0,0,1|1,1,0]=4 304 B8R1.5 c1cc(c(nc1)Cl)Br BC210233 [0,1,0,0,0,1|2,0,0]=4 305 B8R1.5 c1cc(c(nc1)Cl)Cl BC210321 [0,1,0,0,0,1|2,0,0]=4 306 B8R1.5 c1cc(c(nc1)Cl)I BC207966 [0,1,0,0,0,1|2,0,0]=4 307 B8R1.5 c1cc(c(nc1)Cl)N BC226077 [0,1,0,0,0,1|2,0,0]=4 308 B8R1.5 c1cc(c(nc1)Cl)O BC206637 [0,1,0,0,0,1|1,1,0]=4 309 B8R1.5 c1cc(c(nc1)F)Br BC219145 [0,1,0,0,0,1|2,0,0]=4 310 B8R1.5 c1cc(c(nc1)F)Cl BC214599 [0,1,0,0,0,1|2,0,0]=4 311 B8R1.5 c1cc(c(nc1)F)F BC211682 [0,1,0,0,0,1|2,0,0]=4 312 B8R1.5 c1cc(c(nc1)F)I BC213726 [0,1,0,0,0,1|2,0,0]=4 313 B8R1.5 c1cc(c(nc1)F)N BC219109 [0,1,0,0,0,1|2,0,0]=4 314 B8R1.5 c1cc(c(nc1)F)O BC677131 [0,1,0,0,0,1|1,1,0]=4 315 B8R1.5 c1cc(c(nc1)I)O BC206480 [0,1,0,0,0,1|1,1,0]=4 316 B8R1.5 c1cc(c(nc1)N)Br BC202222 [0,1,0,0,0,1|2,0,0]=4 317 B8R1.5 c1cc(c(nc1)N)Cl BC205827 [0,1,0,0,0,1|2,0,0]=4 318 B8R1.5 c1cc(c(nc1)N)F BC227098 [0,1,0,0,0,1|2,0,0]=4 319 B8R1.5 c1cc(c(nc1)N)I BC219764 [0,1,0,0,0,1|2,0,0]=4 320 B8R1.5 c1cc(c(nc1)N)N BC227150 [0,1,0,0,0,1|2,0,0]=4 321 B8R1.5 c1cc(c(nc1)N)O BC227987 [0,1,0,0,0,1|1,1,0]=4 322 B8R1.5 c1cc(c(nc1)O)F BC202279 [0,1,0,0,0,1|1,1,0]=4 323 B8R1.5 c1cc(c(nc1)O)N BC202198 [0,1,0,0,0,1|1,1,0]=4 324 B8R1.5 c1cc(c(nc1)O)O BC209278 [0,1,0,0,0,1|1,1,0]=4 325 B8R1.5 c1cc[n+](c(c1)Cl)[O-] BC213191 [0,1,0,0,0,1|2,0,0]=4 326 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC206730 [0,1,0,0,0,1|1,0,1]=4 327 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC207991 [0,1,0,0,0,1|1,0,1]=4 328 B8R1.5 c1ccc(c(c1)N)Br BC677892 [0,1,0,0,0,1|2,0,0]=4 329 B8R1.5 c1ccc(c(c1)N)I BC213646 [0,1,0,0,0,1|2,0,0]=4 330 B8R1.5 c1ccc(c(c1)N)S BC250051 [0,1,0,0,0,1|1,0,0]=3 331 B8R1.5 c1ccc(c(c1)O)I BC213644 [0,1,0,0,0,1|1,1,0]=4 332 B8R1.5 c1ccc(c(c1)O)O BC205707 [0,1,0,0,0,1|1,1,0]=4 333 B8R1.5 c1cnc(c(n1)Cl)Cl BC210320 [0,1,0,0,0,1|2,0,0]=4 334 B8R1.5 c1cnc(c(n1)N)Cl BC244718 [0,1,0,0,0,1|2,0,0]=4 335 B8R1.5 c1cncc(c1Br)Cl BC219129 [0,1,0,0,0,1|2,0,0]=4 336 B8R1.5 c1cncc(c1Br)F BC219146 [0,1,0,0,0,1|2,0,0]=4 337 B8R1.5 c1cncc(c1Br)N BC228928 [0,1,0,0,0,1|2,0,0]=4 338 B8R1.5 c1cncc(c1Br)O BC228930 [0,1,0,0,0,1|1,1,0]=4 339 B8R1.5 c1cncc(c1Cl)Br BC219128 [0,1,0,0,0,1|2,0,0]=4 340 B8R1.5 c1cncc(c1Cl)F BC219166 [0,1,0,0,0,1|2,0,0]=4 341 B8R1.5 c1cncc(c1Cl)N BC205922 [0,1,0,0,0,1|2,0,0]=4 342 B8R1.5 c1cncc(c1F)Br BC227113 [0,1,0,0,0,1|2,0,0]=4 343 B8R1.5 c1cncc(c1F)Cl BC226640 [0,1,0,0,0,1|2,0,0]=4 344 B8R1.5 c1cncc(c1F)F BC227745 [0,1,0,0,0,1|2,0,0]=4 345 B8R1.5 c1cncc(c1I)O BC212690 [0,1,0,0,0,1|1,1,0]=4 346 B8R1.5 c1cncc(c1N)Br BC652374 [0,1,0,0,0,1|2,0,0]=4 347 B8R1.5 c1cncc(c1N)Cl BC202197 [0,1,0,0,0,1|2,0,0]=4 348 B8R1.5 c1cncc(c1N)F BC219110 [0,1,0,0,0,1|2,0,0]=4 349 B8R1.5 c1cncc(c1N)N BC222447 [0,1,0,0,0,1|2,0,0]=4 350 B8R1.5 c1cncc(c1N)O BC228924 [0,1,0,0,0,1|1,1,0]=4 351 B8R1.5 c1cncc(c1O)N BC201447 [0,1,0,0,0,1|1,1,0]=4 352 B8R1.5 c1cncc(c1O)O BC678752 [0,1,0,0,0,1|1,1,0]=4 353 B8R1.1 Cc1cc(sc1)C=O BC645199 [0,2,0,0,0,0|0,1,0]=3 354 B8R1.1 Cc1csc(n1)C=O BC203023 [0,2,0,0,0,0|1,1,0]=4 355 B8R1.1 Cc1ncc(s1)C=O BC650857 [0,2,0,0,0,0|1,1,0]=4 356 B8R1.1 c1c(coc1C=O)Br BC645867 [0,2,0,0,0,0|0,2,0]=4 357 B8R1.1 c1c(csc1C=O)Br BC678555 [0,2,0,0,0,0|0,1,0]=3 358 B8R1.1 c1c(nc(s1)N)C#N BC258043 [0,2,0,0,0,0|2,0,0]=4 359 B8R1.1 c1c(sc(n1)Cl)CCl BC209499 [0,2,0,0,0,0|2,0,0]=4 360 B8R1.1 c1c(sc(n1)Cl)CN BC201455 [0,2,0,0,0,0|2,0,0]=4 361 B8R1.1 c1c(sc(n1)N)C=O BC220680 [0,2,0,0,0,0|1,1,0]=4 362 B8R1.1 c1c(sc(n1)N)CO BC658236 [0,2,0,0,0,0|1,1,0]=4 363 B8R1.1 c1cc(sc1C#N)Br BC651951 [0,2,0,0,0,0|1,0,0]=3 364 B8R1.7 B(c1ccco1)(O)O BC210622 [0,2,0,0,0,0|0,2,0]=4 365 B8R1.7 B(c1cccs1)(O)O BC210702 [0,2,0,0,0,0|0,1,0]=3 366 B8R1.7 c1c(scn1)C(=O)O BC677323 [0,2,0,0,0,0|1,1,0]=4 367 B8R1.7 c1cc([nH]c1)C(=O)O BC220697 [0,2,0,0,0,0|1,1,0]=4 368 B8R1.7 c1cc(oc1)C(=O)Cl BC226346 [0,2,0,0,0,0|0,2,0]=4 369 B8R1.7 c1cnsc1C(=O)O BC202175 [0,2,0,0,0,0|1,1,0]=4 370 B8R1.7 c1csc(n1)C(=O)O BC651955 [0,2,0,0,0,0|1,1,0]=4 371 B8R1.11 Cc1c(scn1)C=O BC218797 [0,2,0,0,0,0|1,1,0]=4 372 B8R1.11 Cn1cccc1C=O BC675646 [0,2,0,0,0,0|1,1,0]=4 373 B8R1.11 c1csc(c1Br)C#N BC210235 [0,2,0,0,0,0|1,0,0]=3 374 B8R1.11 c1csc(c1Br)C=O BC219795 [0,2,0,0,0,0|0,1,0]=3 375 B8R1.11 c1csc(c1Cl)C=O BC679930 [0,2,0,0,0,0|0,1,0]=3 376 B8R1.18 Cc1c(sc(n1)Br)Br BC221844 [0,2,0,0,0,0|2,0,0]=4 377 B8R1.18 Cn1c(=O)cc(s1)Cl BC221924 [0,2,0,0,0,0|2,0,0]=4 378 B8R1.50 Cc1csc(=S)n1O BC685118 [0,2,0,0,0,0|1,0,1]=4 379 B6R1.1 C1CC=CC=C1 BC207599 [0,0,1,1,0,0|2,0,0]=4 380 B6R1.1 c1ccncc1 BC220698 [0,0,1,1,0,0|2,0,0]=4