0 B6R0.4 C(\C=C\C(=O)O)O BC224091 [1,0,0,0,0,0|1,0,1]=3 1 B6R0.4 C=CCCC(=O)O BC678220 [1,0,0,0,0,0|0,0,2]=3 2 B6R0.4 C=CCOC(=O)Cl BC676725 [1,0,0,0,0,0|2,0,1]=4 3 B6R0.4 CC(=O)OCC=C BC219433 [1,0,0,0,0,0|2,0,1]=4 4 B6R0.6 CCC\C=C\C=O BC231929 [1,0,0,0,0,0|0,0,2]=3 5 B8R0.28 CN(C)C\C=C\C(=O)O BC225128 [0,1,0,0,0,0|1,0,1]=3 6 B8R1.1 C1=CC(=O)O[C@H]1CO BC219787 [0,0,0,1,0,0|1,0,2]=4 7 B8R1.4 Cc1cc(ccn1)Br BC208673 [0,0,0,1,0,0|3,0,0]=4 8 B8R1.4 Cc1cc(ccn1)Cl BC219169 [0,0,0,1,0,0|3,0,0]=4 9 B8R1.4 Cc1cc(ccn1)O BC208676 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.4 Cc1cc(cnc1)Br BC202211 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 Cc1cc(cnc1)N BC208421 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 Cc1cc(cnc1)O BC201216 [0,0,0,1,0,0|2,0,0]=3 13 B8R1.4 Cc1cccc(c1)F BC675323 [0,0,0,1,0,0|2,0,0]=3 14 B8R1.4 Cc1cccc(c1)O BC207588 [0,0,0,1,0,0|1,0,0]=2 15 B8R1.4 Cc1cccc(n1)Cl BC227997 [0,0,0,1,0,0|2,0,0]=3 16 B8R1.4 Cc1cccc(n1)N BC202221 [0,0,0,1,0,0|2,0,0]=3 17 B8R1.4 Cc1ccnc(c1)Br BC207069 [0,0,0,1,0,0|3,0,0]=4 18 B8R1.4 Cc1ccnc(c1)F BC219183 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 Cc1ccnc(n1)Br BC677913 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 Cc1ccnc(n1)Cl BC228088 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.4 Cc1cncc(n1)N BC675568 [0,0,0,1,0,0|3,0,0]=4 22 B8R1.4 c1c(cncc1Br)O BC221860 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 c1cc(cc(c1)Br)Br BC675855 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 c1cc(cc(c1)Br)S BC667223 [0,0,0,1,0,0|2,1,0]=4 26 B8R1.4 c1cc(cc(c1)Cl)Cl BC205103 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.4 c1cc(cc(c1)I)Br BC675850 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 c1cc(cc(c1)I)N BC213647 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.4 c1cc(cc(c1)O)O BC207605 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.4 c1cc(nc(c1)Br)F BC219144 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 c1cc(nc(c1)Br)N BC207509 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 c1cc(nc(c1)Cl)N BC201207 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 c1cc(nc(c1)F)N BC222333 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 c1cc(nc(c1)N)N BC200771 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 c1cnc(cc1Br)O BC228856 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 c1cnc(cc1O)Br BC208749 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 c1cnc(cc1O)F BC656317 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.4 c1cnc(cc1O)N BC222335 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 c1cnc(cc1O)O BC208052 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.7 B(c1ccco1)(O)O BC210622 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.7 B(c1cccs1)(O)O BC210702 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.7 C1C=CCC1C(=O)O BC226569 [0,0,0,1,0,0|0,0,2]=3 43 B8R1.7 C1C=C[C@H](N1)C(=O)O BC676801 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.7 c1c([nH]cn1)C(=O)O BC223837 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.7 c1c(nco1)C(=O)O BC677324 [0,0,0,1,0,0|2,0,0]=3 46 B8R1.7 c1c(scn1)C(=O)O BC677323 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.7 c1c[nH]nc1C(=O)O BC203654 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.7 c1cc([nH]c1)C(=O)O BC220697 [0,0,0,1,0,0|1,0,0]=2 49 B8R1.7 c1cc(oc1)C(=O)Cl BC226346 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.7 c1cnsc1C(=O)O BC202175 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.7 c1cocc1C(=O)Cl BC650563 [0,0,0,1,0,0|2,0,1]=4 52 B8R1.7 c1conc1C(=O)O BC207645 [0,0,0,1,0,0|2,0,0]=3 53 B8R1.7 c1csc(n1)C(=O)O BC651955 [0,0,0,1,0,0|2,0,0]=3 54 B8R1.7 c1cscc1C(=O)Cl BC681079 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.7 c1cscc1C(=O)O BC213229 [0,0,0,1,0,0|1,0,1]=3 56 B5R0.1 C\C=C\C(=O)O BC206359 [2,0,0,0,0,0|0,0,0]=2 57 B7R0.3 COC(=O)\C=C\CBr BC203932 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.5 C=CC[C@@H](C(=O)O)N BC213753 [1,1,0,0,0,0|0,0,2]=4 59 B7R0.6 CC(=O)CCC(=O)O BC216409 [1,1,0,0,0,0|0,0,2]=4 60 B7R0.6 CC(=O)\C=C\C(=O)O BC214213 [1,1,0,0,0,0|0,0,0]=2 61 B7R0.1 CC\C=C\C=C\C=O BC218794 [1,1,0,0,0,0|0,0,0]=2 62 B9R0.5 CCO\C=C\C(=O)OCC BC681075 [0,2,0,0,0,0|1,0,1]=4 63 B9R0.24 COC(=O)\C=C\C(=O)OC BC226892 [0,2,0,0,0,0|1,0,0]=3 64 B7R1.2 C1=CC(=O)OC1=O BC200750 [1,0,0,1,0,0|1,0,0]=3 65 B7R1.2 CC1=CCC(=O)O1 BC205542 [1,0,0,1,0,0|0,0,1]=3 66 B7R1.2 Cc1ccc([nH]1)C BC203703 [1,0,0,1,0,0|2,0,0]=4 67 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [1,0,0,1,0,0|2,0,0]=4 68 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [1,0,0,1,0,0|2,0,0]=4 69 B7R1.3 c1ccnc(c1)Cl BC653330 [1,0,0,1,0,0|2,0,0]=4 70 B7R1.3 c1cnc(nc1)O BC209309 [1,0,0,1,0,0|2,0,0]=4 71 B7R1.3 c1cnc[nH]c1=O BC209585 [1,0,0,1,0,0|2,0,0]=4 72 B7R1.3 c1cncnc1O BC228083 [1,0,0,1,0,0|2,0,0]=4 73 B7R1.1 CCc1cccs1 BC210545 [1,0,0,1,0,0|0,1,1]=4 74 B7R1.1 c1c(nc[nH]1)C=O BC207063 [1,0,0,1,0,0|2,0,0]=4 75 B7R1.1 c1c(scn1)C=O BC678913 [1,0,0,1,0,0|2,0,0]=4 76 B7R1.1 c1c[nH]nc1C=O BC207627 [1,0,0,1,0,0|2,0,0]=4 77 B7R1.1 c1cc([nH]c1)C=O BC210794 [1,0,0,1,0,0|1,0,0]=3 78 B7R1.1 c1cc(sc1)C=O BC225721 [1,0,0,1,0,0|1,0,0]=3 79 B7R1.1 c1cnc([nH]1)C=O BC219962 [1,0,0,1,0,0|2,0,0]=4 80 B7R1.1 c1cnsc1C=O BC677321 [1,0,0,1,0,0|2,0,0]=4 81 B7R1.1 c1conc1C=O BC201897 [1,0,0,1,0,0|2,0,0]=4 82 B7R1.1 c1cscc1C=O BC676777 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.4 Cc1cscc1C BC653364 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.4 Cn1c(=O)ccs1 BC200617 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.13 c1c(nc[nH]1)CC(=O)O BC224082 [0,1,0,1,0,0|1,0,1]=4 86 B9R1.13 c1cc(sc1)CC(=O)Cl BC684363 [0,1,0,1,0,0|2,0,0]=4 87 B9R1.13 c1cc(sc1)CC(=O)O BC201507 [0,1,0,1,0,0|1,0,0]=3 88 B9R1.13 c1cnc([nH]1)CC(=O)O BC237657 [0,1,0,1,0,0|1,0,1]=4 89 B9R1.13 c1cnn(c1)CC(=O)O BC620120 [0,1,0,1,0,0|1,0,1]=4 90 B9R1.34 Cc1cc(=O)[nH]c(=O)[nH]1 BC226865 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.34 Cc1cc(cc(=O)o1)O BC678859 [0,1,0,1,0,0|0,0,0]=2 92 B9R1.34 Cc1cc(cc(c1)Br)Br BC205600 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.34 Cc1cc(cc(c1)F)F BC211658 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.34 Cc1cc(cc(c1)F)N BC201154 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.34 Cc1cc(cc(c1)O)C BC227805 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.34 Cc1cc(cc(n1)Cl)Cl BC227175 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.34 Cc1cc(nc(c1)Br)C BC227060 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.34 Cc1cc(nc(c1)Cl)C BC227119 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.34 Cc1cc(nc(c1)N)C BC210192 [0,1,0,1,0,0|2,0,0]=4 100 B9R1.34 Cc1cc(nc(c1)O)C BC202952 [0,1,0,1,0,0|1,0,0]=3 101 B9R1.34 c1c(cc(=O)[nH]c1N)O BC686697 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.34 c1c(cc(cc1Br)Br)O BC201431 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.34 c1c(cc(cc1Cl)Cl)O BC227802 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.34 c1c(cc(cc1F)F)O BC200196 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.34 c1c(cc(cc1O)O)O BC200250 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.41 B(c1cscc1C)(O)O BC684685 [0,1,0,1,0,0|1,0,1]=4 107 B9R1.41 Cc1c(nco1)C(=O)O BC650836 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.41 Cc1c(ncs1)C(=O)O BC652152 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.41 Cc1c(ocn1)C(=O)O BC689523 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.41 Cc1c(scn1)C(=O)O BC679074 [0,1,0,1,0,0|1,0,0]=3 111 B9R1.41 Cn1c(ccn1)C(=O)O BC649926 [0,1,0,1,0,0|1,0,0]=3 112 B9R1.41 Cn1cncc1C(=O)O BC220093 [0,1,0,1,0,0|1,0,0]=3 113 B9R1.41 c1csc(c1C(=O)O)F BC655882 [0,1,0,1,0,0|1,0,0]=3 114 B9R1.41 c1csc(c1N)C(=O)O BC288632 [0,1,0,1,0,0|1,0,0]=3 115 B9R1.1 COc1ccc(cn1)O BC678852 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.1 c1cc(ccc1C=O)O BC227835 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.1 c1cc(ncc1C=O)O BC650796 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.2 CCc1cccc(c1)Br BC675848 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.2 CCc1cccc(c1)N BC219618 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.2 COc1cccc(c1)Br BC208526 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.2 COc1cccc(n1)N BC205868 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.2 CSc1[nH]c(=O)ccn1 BC215669 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.2 CSc1cccc(c1)I BC210370 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.2 Cc1cccc(c1)C#C BC221826 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.2 Cc1cccc(n1)C#N BC207373 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.2 Cc1cccc(n1)C=O BC202245 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.2 Cc1cccc(n1)CO BC225232 [0,1,0,1,0,0|1,0,0]=3 128 B9R1.2 Cc1cccc(n1)OC BC207375 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.2 Cc1nccc(n1)C=O BC200464 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.2 Cc1nccc(n1)CO BC684778 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.2 c1cc(cc(c1)Br)C=O BC211001 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.2 c1cc(cc(c1)Cl)C=O BC227688 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.2 c1cc(cc(c1)F)CCl BC675428 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.2 c1cc(cc(c1)O)C=O BC226069 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.2 c1cc(nc(c1)Br)CBr BC208401 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.2 c1cc(nc(c1)Br)CO BC208400 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.2 c1cc(nc(c1)Cl)C=O BC200574 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.2 c1cc(nc(c1)Cl)CO BC208690 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.2 c1cnc(cc1C=O)O BC229040 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.3 Cc1cccc(c1Br)F BC201345 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.3 Cc1cccc(c1C)Br BC206660 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.3 Cc1cccc(c1F)N BC206794 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.3 Cc1cccc(c1N)F BC211661 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.3 Cc1cccn(c1=O)C BC655672 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.3 c1cc(c(c(c1)Br)O)N BC225215 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.3 c1cc(c(c(c1)Cl)O)Cl BC228038 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.3 c1cc(c(c(c1)F)Br)O BC210240 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.3 c1cc(c(c(c1)O)Cl)N BC686632 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.3 c1cc(c(c(c1)O)O)O BC202160 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.11 COC(=O)C1CC=CC1 BC222628 [0,1,0,1,0,0|0,0,2]=4 151 B9R1.11 COC(=O)c1c[nH]cn1 BC220005 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.11 COC(=O)c1cc[nH]n1 BC224095 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.11 COC(=O)c1ccco1 BC218745 [0,1,0,1,0,0|1,0,0]=3 154 B9R1.21 CSc1ccc(s1)C=O BC684303 [0,1,0,1,0,0|1,1,0]=4 155 B9R1.21 c1cc(oc1C=O)C=O BC212150 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.21 c1cc(oc1CO)C=O BC219476 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.21 c1cc(sc1C=O)C=O BC219793 [0,1,0,1,0,0|1,1,0]=4 158 B9R1.49 C1=CC(=O)O[Fe]OC1=O BC220345 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.6 C1CC(CC=C1)C(=O)O BC646428 [0,1,0,1,0,0|0,0,2]=4 160 B9R1.6 C1CCC(=CC1)C(=O)O BC215574 [0,1,0,1,0,0|0,0,2]=4 161 B9R1.6 CC(=O)c1ccccc1 BC206207 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.6 CC(=O)c1cccnc1 BC207736 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.6 CC(=O)c1ccncc1 BC204635 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.6 c1c(cncn1)C(=O)O BC227972 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.6 c1c(cncn1)C(=O)O BC674875 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.6 c1cc(cnc1)C(=O)Cl BC650712 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.6 c1cc(cnc1)C(=O)N BC676662 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.6 c1cc(cnc1)C(=O)[O-] BC220349 [0,1,0,1,0,0|0,0,2]=4 169 B9R1.6 c1ccnc(c1)C(=O)[O-] BC220351 [0,1,0,1,0,0|0,0,2]=4 170 B9R1.6 c1cnc(cn1)C(=O)Cl BC223499 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.6 c1cnc(cn1)C(=O)O BC676806 [0,1,0,1,0,0|1,0,0]=3 172 B9R1.6 c1cnc(nc1)C(=O)O BC228091 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.6 c1cncnc1C(=O)O BC201449 [0,1,0,1,0,0|1,0,0]=3 174 B9R1.6 c1cnncc1C(=O)O BC201463 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.35 C1CC(=O)C=C1C(=O)O BC675996 [0,1,0,1,0,0|0,0,1]=3 176 B9R1.35 C1[C@H](C=C[C@@H]1N)C(=O)O BC638831 [0,1,0,1,0,0|0,0,2]=4 177 B9R1.35 CC(=O)c1cc(cs1)Cl BC226225 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.35 Cc1[nH]cc(n1)C(=O)O BC679140 [0,1,0,1,0,0|1,0,0]=3 179 B9R1.35 Cc1cc(no1)C(=O)O BC650587 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.35 Cc1cc(on1)C(=O)O BC645510 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.35 Cc1ccc(o1)C(=O)C BC218741 [0,1,0,1,0,0|1,0,0]=3 182 B9R1.35 Cc1ccc(s1)C(=O)O BC213236 [0,1,0,1,0,0|0,0,0]=2 183 B9R1.35 Cc1cnc(s1)C(=O)O BC675563 [0,1,0,1,0,0|1,0,0]=3 184 B9R1.35 Cc1csc(n1)C(=O)O BC675561 [0,1,0,1,0,0|1,0,0]=3 185 B9R1.35 Cc1nc(co1)C(=O)O BC203608 [0,1,0,1,0,0|1,0,0]=3 186 B9R1.35 Cc1ncc(s1)C(=O)O BC681903 [0,1,0,1,0,0|1,0,0]=3 187 B9R1.35 Cn1cc(nc1)C(=O)O BC219620 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.35 Cn1cnc(n1)C(=O)O BC256926 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.35 c1c(csc1C(=O)O)Br BC676028 [0,1,0,1,0,0|1,0,0]=3 190 B9R1.35 c1cc(sc1C(=O)O)Cl BC219931 [0,1,0,1,0,0|1,0,0]=3 191 B9R1.69 Cc1c(ccc(n1)Br)F BC211685 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.69 Cc1c(ccc(n1)Cl)F BC219165 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.69 Cc1c(ccc(n1)Cl)F BC677936 [0,1,0,1,0,0|2,0,0]=4 194 B9R1.69 Cc1c(ccc(n1)Cl)N BC219100 [0,1,0,1,0,0|2,0,0]=4 195 B9R1.69 Cc1c(ccc(n1)Cl)O BC240165 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.69 Cc1c(ccc(n1)F)N BC219106 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.69 Cc1cc(c(nc1)N)O BC228725 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.69 Cc1cc(ccc1Br)O BC207712 [0,1,0,1,0,0|1,0,0]=3 199 B9R1.69 Cc1cc(ccc1Cl)Cl BC207920 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.69 Cc1cc(ccc1Cl)O BC207565 [0,1,0,1,0,0|1,0,0]=3 201 B9R1.69 Cc1cc(ccc1F)Br BC207178 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.69 Cc1cc(ccc1I)O BC211956 [0,1,0,1,0,0|1,0,0]=3 203 B9R1.69 Cc1cc(ccc1N)I BC220172 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.69 Cc1cc(ccc1N)N BC203474 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.69 Cc1cc(ccc1N)O BC649929 [0,1,0,1,0,0|1,0,0]=3 206 B9R1.69 Cc1cc(ccc1O)O BC201519 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.69 Cc1cc(ccc1O)S BC220806 [0,1,0,1,0,0|1,1,0]=4 208 B9R1.69 Cc1cc(cnc1Br)O BC228773 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.69 Cc1ccc(c(c1)Br)C BC202051 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.69 Cc1ccc(c(c1)Br)O BC228036 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.69 Cc1ccc(c(c1)C)S BC685862 [0,1,0,1,0,0|2,0,0]=4 212 B9R1.69 Cc1ccc(c(c1)N)F BC207170 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.69 Cc1ccc(c(c1)N)I BC680398 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.69 Cc1ccc(c(c1)O)O BC204625 [0,1,0,1,0,0|1,0,0]=3 215 B9R1.69 Cc1ccc(c(n1)Br)Br BC219172 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.69 Cc1ccc(c(n1)Br)F BC219139 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.69 Cc1ccc(c(n1)Br)N BC650925 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.69 Cc1ccc(c(n1)Cl)Br BC219127 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.69 Cc1ccc(c(n1)Cl)Cl BC227158 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.69 Cc1ccc(c(n1)Cl)F BC219161 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.69 Cc1ccc(c(n1)Cl)N BC208643 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.69 Cc1ccc(c(n1)F)Br BC219141 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.69 Cc1ccc(c(n1)N)Br BC202224 [0,1,0,1,0,0|2,0,0]=4 224 B9R1.69 Cc1ccc(c(n1)N)O BC228726 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.69 Cc1ccc(c(n1)O)Br BC208734 [0,1,0,1,0,0|1,0,0]=3 226 B9R1.69 Cc1ccc(cc1C)Br BC201497 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.69 Cc1ccc(cc1O)Cl BC683431 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.69 c1cc(c(cc1Br)O)Cl BC680561 [0,1,0,1,0,0|2,0,0]=4 229 B9R1.69 c1cc(c(cc1F)O)Br BC210242 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.69 c1cc(c(cc1F)O)N BC686429 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.69 c1cc(c(cc1F)O)O BC201436 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.69 c1cc(c(cc1N)O)Cl BC677592 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.69 c1cc(c(cc1N)O)O BC673428 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.69 c1cc(c(cc1O)Br)F BC227792 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.69 c1cc(c(cc1O)Cl)Br BC210230 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.69 c1cc(c(cc1O)Cl)Cl BC210315 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.69 c1cc(c(cc1O)Cl)N BC210179 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.69 c1cc(c(cc1O)F)Cl BC227794 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.69 c1cc(c(cc1O)N)Br BC638504 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.69 c1cc(c(cc1O)N)F BC226676 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.69 c1cc(c(cc1O)O)Br BC210237 [0,1,0,1,0,0|2,0,0]=4