0 B9R1.41 Cc1c(nco1)C(=O)O BC650836 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.41 Cc1c(ncs1)C(=O)O BC652152 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 Cc1c(ocn1)C(=O)O BC689523 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.41 Cc1c(scn1)C(=O)O BC679074 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.41 Cn1c(ccn1)C(=O)O BC649926 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.41 Cn1cncc1C(=O)O BC220093 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.41 c1csc(c1C(=O)O)F BC655882 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.41 c1csc(c1N)C(=O)O BC288632 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.7 C1C=C[C@H](N1)C(=O)O BC676801 [1,0,0,0,0,0|1,0,2]=4 9 B8R1.7 c1c([nH]cn1)C(=O)O BC223837 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.7 c1c([nH]cn1)[N+](=O)[O-] BC212522 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.7 c1c(nco1)C(=O)O BC677324 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 c1c(scn1)C(=O)O BC677323 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.7 c1c[nH]nc1C(=O)O BC203654 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.7 c1cc([nH]c1)C(=O)O BC220697 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.7 c1cc(oc1)C(=O)Cl BC226346 [1,0,0,0,0,0|2,0,0]=3 16 B8R1.7 c1cnc([nH]1)[N+](=O)[O-] BC220082 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 c1cnsc1C(=O)O BC202175 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.7 c1cocc1C(=O)Cl BC650563 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.7 c1conc1C(=O)O BC207645 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.7 c1csc(n1)C(=O)O BC651955 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.7 c1cscc1C(=O)Cl BC681079 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.7 c1cscc1C(=O)O BC213229 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.11 Cc1c(scn1)C=O BC218797 [1,0,0,0,0,0|3,0,0]=4 24 B8R1.11 Cn1c(ccn1)CN BC273639 [1,0,0,0,0,0|2,0,1]=4 25 B8R1.11 Cn1c(ccn1)CO BC683092 [1,0,0,0,0,0|1,0,2]=4 26 B8R1.11 Cn1cccc1C=O BC675646 [1,0,0,0,0,0|0,0,0]=1 27 B8R1.11 c1csc(c1Br)C=O BC219795 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.11 c1csc(c1Cl)C=O BC679930 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.149 Cc1c(scn1)C(=O)OC BC214954 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.194 Cc1ncc(n1C)C(=O)C BC220050 [0,1,0,0,0,0|1,0,0]=2 31 B10R1.61 CC(=O)c1c(cccn1)F BC227063 [0,0,0,0,0,1|2,0,0]=3 32 B10R1.61 CC(=O)c1ccccc1Br BC213650 [0,0,0,0,0,1|2,0,0]=3 33 B10R1.61 CC(=O)c1ccccc1Cl BC683160 [0,0,0,0,0,1|2,0,0]=3 34 B10R1.61 CC(=O)c1ccccc1F BC227587 [0,0,0,0,0,1|2,0,0]=3 35 B10R1.61 CC(=O)c1cccnc1Cl BC204454 [0,0,0,0,0,1|2,0,0]=3 36 B10R1.61 CC(=O)c1cccnc1N BC200176 [0,0,0,0,0,1|2,0,0]=3 37 B10R1.61 Cc1c(cccn1)C(=O)C BC650807 [0,0,0,0,0,1|1,0,0]=2 38 B10R1.61 Cc1c(cccn1)C(=O)O BC227078 [0,0,0,0,0,1|2,0,0]=3 39 B10R1.61 Cc1c(nccn1)C(=O)C BC210170 [0,0,0,0,0,1|2,0,0]=3 40 B10R1.61 Cc1ccccc1C(=O)Cl BC686297 [0,0,0,0,0,1|2,0,0]=3 41 B10R1.61 Cc1ccccc1C(=O)O BC675262 [0,0,0,0,0,1|2,0,0]=3 42 B10R1.61 Cc1cccnc1C(=O)O BC207538 [0,0,0,0,0,1|2,0,0]=3 43 B10R1.61 Cc1cccnc1[N+](=O)[O-] BC219555 [0,0,0,0,0,1|3,0,0]=4 44 B10R1.61 Cc1cnccc1C(=O)O BC222643 [0,0,0,0,0,1|2,0,0]=3 45 B10R1.61 c1cc(c(nc1)C(=O)N)N BC653727 [0,0,0,0,0,1|3,0,0]=4 46 B10R1.61 c1cc(c(nc1)C(=O)O)Br BC201446 [0,0,0,0,0,1|3,0,0]=4 47 B10R1.61 c1cc(c(nc1)C(=O)O)Cl BC678013 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.61 c1cc(c(nc1)C(=O)O)F BC226669 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.61 c1cc(c(nc1)C(=O)O)N BC220957 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.61 c1cc(c(nc1)C(=O)O)O BC210633 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.61 c1cc(c(nc1)Cl)C(=O)Cl BC206498 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.61 c1cc(c(nc1)Cl)C(=O)O BC227088 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.61 c1cc(c(nc1)F)C(=O)O BC214598 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.61 c1ccc(c(c1)C(=O)O)O BC221968 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.61 c1cncc(c1Br)C(=O)O BC226654 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.61 c1cncc(c1C(=O)O)N BC208031 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.61 c1cncc(c1F)C(=O)O BC677128 [0,0,0,0,0,1|3,0,0]=4 58 B10R1.61 c1cncc(c1N)C(=O)N BC227114 [0,0,0,0,0,1|3,0,0]=4 59 B10R1.61 c1cncc(c1N)C(=O)O BC208030 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.61 c1cncc(c1O)C(=O)O BC222453 [0,0,0,0,0,1|3,0,0]=4 61 B10R1.64 Cc1c(cno1)NC(=O)C BC220042 [0,0,0,0,0,1|3,0,0]=4 62 B10R1.64 Cn1cccc1CC(=O)O BC208058 [0,0,0,0,0,1|1,0,0]=2 63 B10R1.113 CC(=O)c1cc(cnc1)Br BC200353 [0,0,0,0,0,1|3,0,0]=4 64 B10R1.113 CC(=O)c1cccc(c1)Br BC217580 [0,0,0,0,0,1|2,0,0]=3 65 B10R1.113 CC(=O)c1cccc(n1)Br BC225218 [0,0,0,0,0,1|2,0,0]=3 66 B10R1.113 C[n+]1cccc(c1)C(=O)N BC229164 [0,0,0,0,0,1|1,0,1]=3 67 B10R1.113 Cc1cc(cnc1)C(=O)O BC212576 [0,0,0,0,0,1|3,0,0]=4 68 B10R1.113 Cc1cccc(n1)C(=O)O BC210679 [0,0,0,0,0,1|2,0,0]=3 69 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] BC681540 [0,0,0,0,0,1|3,0,0]=4 70 B10R1.113 Cc1ccnc(c1)C(=O)C BC217946 [0,0,0,0,0,1|2,0,0]=3 71 B10R1.113 Cc1nccc(n1)C(=O)O BC684779 [0,0,0,0,0,1|3,0,0]=4 72 B10R1.113 c1cc(cc(c1)Cl)C(=O)O BC225403 [0,0,0,0,0,1|3,0,0]=4 73 B10R1.113 c1cc(cc(c1)O)C(=O)O BC676293 [0,0,0,0,0,1|3,0,0]=4 74 B10R1.113 c1cc(nc(c1)Br)C(=O)O BC207990 [0,0,0,0,0,1|3,0,0]=4 75 B10R1.113 c1cc(nc(c1)Cl)C(=O)O BC213732 [0,0,0,0,0,1|3,0,0]=4 76 B10R1.113 c1cc(nc(c1)N)C(=O)O BC220442 [0,0,0,0,0,1|3,0,0]=4 77 B7R0.1 CC\C=C\C=C\C=O BC218794 [1,0,1,0,0,0|1,0,0]=3 78 B7R1.1 CCc1cccs1 BC210545 [2,0,0,0,0,0|1,0,1]=4 79 B7R1.1 CSc1[nH]ccn1 BC600114 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.1 c1c(nc[nH]1)C=O BC207063 [2,0,0,0,0,0|1,0,1]=4 81 B7R1.1 c1c(scn1)C=O BC678913 [2,0,0,0,0,0|2,0,0]=4 82 B7R1.1 c1c[nH]nc1C=O BC207627 [2,0,0,0,0,0|1,0,1]=4 83 B7R1.1 c1cc([nH]c1)C=O BC210794 [2,0,0,0,0,0|0,0,0]=2 84 B7R1.1 c1cc([nH]c1)CN BC620340 [2,0,0,0,0,0|1,0,1]=4 85 B7R1.1 c1cc(sc1)C=O BC225721 [2,0,0,0,0,0|1,0,0]=3 86 B7R1.1 c1cnc([nH]1)C=O BC219962 [2,0,0,0,0,0|1,0,0]=3 87 B7R1.1 c1cnsc1C=O BC677321 [2,0,0,0,0,0|2,0,0]=4 88 B7R1.1 c1conc1C=O BC201897 [2,0,0,0,0,0|1,0,1]=4 89 B7R1.1 c1cscc1C=O BC676777 [2,0,0,0,0,0|2,0,0]=4 90 B7R1.4 Cc1cscc1C BC653364 [2,0,0,0,0,0|2,0,0]=4 91 B7R1.4 Cn1c(=O)ccs1 BC200617 [2,0,0,0,0,0|1,0,0]=3 92 B7R1.4 Cn1c(ccn1)N BC222455 [2,0,0,0,0,0|2,0,0]=4 93 B7R1.4 Cn1ccnc1N BC243320 [2,0,0,0,0,0|2,0,0]=4 94 B7R1.4 Cn1ccnc1S BC204140 [2,0,0,0,0,0|1,1,0]=4 95 B9R1.11 COC(=O)c1c[nH]cn1 BC220005 [1,1,0,0,0,0|1,0,1]=4 96 B9R1.11 COC(=O)c1cc[nH]n1 BC224095 [1,1,0,0,0,0|1,0,1]=4 97 B9R1.11 COC(=O)c1ccco1 BC218745 [1,1,0,0,0,0|1,0,0]=3 98 B9R1.35 CC(=O)c1cc(cs1)Cl BC226225 [1,1,0,0,0,0|1,0,0]=3 99 B9R1.35 Cc1ccc(o1)C(=O)C BC218741 [1,1,0,0,0,0|1,0,0]=3 100 B9R1.35 Cc1ccc(s1)C(=O)O BC213236 [1,1,0,0,0,0|2,0,0]=4 101 B9R1.35 c1c(csc1C(=O)O)Br BC676028 [1,1,0,0,0,0|2,0,0]=4 102 B9R1.35 c1cc(sc1C(=O)O)Cl BC219931 [1,1,0,0,0,0|2,0,0]=4 103 B9R1.22 Cc1cc([nH]c1C=O)C BC227861 [1,1,0,0,0,0|2,0,0]=4 104 B9R1.33 Cn1cncc1N=C=O BC295518 [1,1,0,0,0,0|1,0,1]=4 105 B11R1.53 c1ccc(c(c1)CBr)C(=O)O BC207323 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.53 c1ccc(c(c1)CCl)C(=O)O BC211063 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.156 CC(=O)c1c(cccc1Cl)F BC247111 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.156 Cc1cccc(c1C(=O)O)C BC227495 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.156 Cc1cccc(c1C(=O)O)F BC220222 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.156 Cc1cccc(c1C(=O)O)N BC203569 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.156 Cc1ccnc(c1C(=O)O)C BC200557 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.159 CC(=O)c1cccc(c1F)Br BC227617 [0,1,0,0,0,1|2,0,0]=4 113 B11R1.159 CC(=O)c1cccc(c1O)N BC216503 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.159 Cc1c(cccc1F)C(=O)O BC206740 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.159 Cc1c(cccc1O)C(=O)O BC201893 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.159 Cc1cccc(c1C)C(=O)Cl BC646247 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.159 Cc1cccc(c1N)C(=O)C BC649905 [0,1,0,0,0,1|2,0,0]=4 118 B11R1.159 c1cc(n(c(=O)c1)O)C(=O)O BC281774 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.166 CC(=O)c1ccc(cc1Br)Br BC220380 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.166 CC(=O)c1ccc(cc1Br)Cl BC652621 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.166 CC(=O)c1ccc(cc1Br)O BC210243 [0,1,0,0,0,1|2,0,0]=4 122 B11R1.166 CC(=O)c1ccc(cc1Cl)Br BC200637 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.166 CC(=O)c1ccc(cc1Cl)N BC296971 [0,1,0,0,0,1|2,0,0]=4 124 B11R1.166 CC(=O)c1ccc(cc1Cl)O BC209150 [0,1,0,0,0,1|2,0,0]=4 125 B11R1.166 CC(=O)c1ccc(cc1Cl)O BC215805 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.166 CC(=O)c1ccc(cc1F)Br BC658892 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.166 CC(=O)c1ccc(cc1F)Cl BC686320 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.166 CC(=O)c1ccc(cc1F)F BC200226 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.166 CC(=O)c1ccc(cc1F)O BC208072 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.166 CC(=O)c1ccc(cc1O)O BC676988 [0,1,0,0,0,1|2,0,0]=4 131 B11R1.166 Cc1c(ccc(n1)F)C(=O)O BC219214 [0,1,0,0,0,1|2,0,0]=4 132 B11R1.166 Cc1cc(ccc1C(=O)O)Cl BC227504 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.166 Cc1cc(ncc1C(=O)O)N BC228733 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.167 CC(=O)c1cc(ccc1Cl)Cl BC681076 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.167 CC(=O)c1cc(ccc1Cl)F BC226693 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.167 CC(=O)c1cc(ccc1I)F BC220376 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.167 CC(=O)c1cc(ccc1O)Br BC209997 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.167 Cc1ccc(cc1C(=O)O)Br BC222446 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.167 Cc1ccc(cc1C(=O)O)I BC219784 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.167 Cc1ccc(cc1C(=O)O)N BC202438 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.167 Cc1ccc(cc1C(=O)O)O BC202426 [0,1,0,0,0,1|2,0,0]=4 142 B11R1.222 COC(=O)c1c(cccn1)Br BC273693 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.222 COC(=O)c1c(cccn1)O BC224094 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.222 COC(=O)c1cccnc1F BC219216 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.222 COC(=O)c1cnccc1O BC224041 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.222 Cc1c(cccn1)C(=O)OC BC225552 [0,1,0,0,0,1|1,0,0]=3 147 B11R1.222 c1ccc(c(c1)C(=O)CN)Br BC201182 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl BC201181 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.222 c1ccc(c(c1)C(=O)CN)F BC201180 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.228 Cn1cccc1CC(=O)OC BC219762 [0,1,0,0,0,1|0,0,0]=2 151 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br BC675515 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl BC200288 [0,1,0,0,0,1|2,0,0]=4 153 B11R1.21 CC(=O)c1ccc(c(c1)Br)F BC210238 [0,1,0,0,0,1|2,0,0]=4 154 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl BC677102 [0,1,0,0,0,1|2,0,0]=4 155 B11R1.21 CC(=O)c1ccc(c(c1)F)Br BC219905 [0,1,0,0,0,1|2,0,0]=4 156 B11R1.21 CC(=O)c1ccc(c(c1)F)F BC201362 [0,1,0,0,0,1|2,0,0]=4 157 B11R1.21 CC(=O)c1ccc(c(c1)F)O BC227598 [0,1,0,0,0,1|2,0,0]=4 158 B11R1.21 CC(=O)c1ccc(c(c1)N)F BC209409 [0,1,0,0,0,1|2,0,0]=4 159 B11R1.21 CC(=O)c1ccc(c(c1)O)O BC220893 [0,1,0,0,0,1|2,0,0]=4 160 B11R1.21 Cc1ccc(cc1C)C(=O)O BC215410 [0,1,0,0,0,1|2,0,0]=4 161 B11R1.23 CCC(=O)c1cccc(c1)Cl BC226916 [0,1,0,0,0,1|2,0,0]=4 162 B11R1.23 CCC(=O)c1cccc(c1)N BC210207 [0,1,0,0,0,1|2,0,0]=4 163 B11R1.23 CCC(=O)c1cccc(c1)O BC210632 [0,1,0,0,0,1|2,0,0]=4 164 B11R1.23 COC(=O)c1cccc(c1)O BC220614 [0,1,0,0,0,1|2,0,0]=4 165 B11R1.23 COC(=O)c1cccc(n1)Br BC207501 [0,1,0,0,0,1|2,0,0]=4 166 B11R1.23 COC(=O)c1cccc(n1)Cl BC226662 [0,1,0,0,0,1|2,0,0]=4 167 B11R1.23 Cc1cccc(c1)C(=O)OC BC219811 [0,1,0,0,0,1|1,0,0]=3 168 B11R1.23 c1cc(cc(c1)Cl)C(=O)CCl BC219638 [0,1,0,0,0,1|2,0,0]=4 169 B11R1.74 CC(=O)c1cc(cc(c1)Br)Br BC201010 [0,1,0,0,0,1|2,0,0]=4 170 B11R1.74 CC(=O)c1cc(cc(c1)O)O BC201351 [0,1,0,0,0,1|2,0,0]=4 171 B11R1.74 Cc1cc(cc(c1)C(=O)Cl)C BC209254 [0,1,0,0,0,1|2,0,0]=4 172 B11R1.74 Cc1cc(cc(c1)N)C(=O)O BC676237 [0,1,0,0,0,1|2,0,0]=4 173 B11R1.74 Cc1cc(cc(c1)O)C(=O)O BC203205 [0,1,0,0,0,1|2,0,0]=4 174 B11R1.266 CC(=O)c1cccc(c1)OC BC225925 [0,1,0,0,0,1|1,0,0]=3 175 B11R1.266 c1cc(cc(c1)C(=O)O)CN BC211732 [0,1,0,0,0,1|2,0,0]=4 176 B11R1.266 c1cc(cc(c1)C(=O)O)CO BC211729 [0,1,0,0,0,1|2,0,0]=4 177 B11R1.59 COC(=O)c1c(ccs1)CBr BC225983 [0,2,0,0,0,0|2,0,0]=4 178 B11R1.225 Cc1cc(n(n1)C)C(=O)CBr BC679130 [0,2,0,0,0,0|1,0,0]=3 179 B11R1.225 Cn1c(cc(n1)O)C(=O)OC BC211361 [0,2,0,0,0,0|1,0,0]=3 180 B11R1.225 Cn1cc(nc1C(=O)OC)Br BC262382 [0,2,0,0,0,0|1,0,0]=3 181 B11R1.199 CCOC(=O)c1ccnn1C BC649927 [0,2,0,0,0,0|1,0,0]=3 182 B9R1.3 Cc1cccn(c1=O)C BC655672 [0,0,1,1,0,0|2,0,0]=4 183 B9R1.2 Cc1cccc(n1)OC BC207375 [0,0,1,1,0,0|2,0,0]=4 184 B9R1.6 CC(=O)c1ccccc1 BC206207 [0,0,1,1,0,0|1,0,1]=4 185 B9R1.6 CC(=O)c1cccnc1 BC207736 [0,0,1,1,0,0|0,0,2]=4 186 B9R1.15 CNc1ccccc1F BC206749 [0,0,1,1,0,0|1,0,1]=4 187 B9R1.15 COc1ccc[nH]c1=O BC228848 [0,0,1,1,0,0|2,0,0]=4 188 B11R2.1 CC1=CCc2c1cccc2 BC600789 [0,0,0,1,0,1|2,0,0]=4 189 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [0,0,0,1,0,1|1,0,0]=3 190 B11R1.86 CC(=O)Cc1ccccc1Br BC202120 [0,0,0,0,0,2|2,0,0]=4