0 B8R1.11 Cc1c([nH]cn1)CO BC216404 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.11 Cc1c(nc[nH]1)CO BC213275 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.11 Cc1c(scn1)C=O BC218797 [0,0,0,0,0,0|1,0,0]=1 3 B8R1.11 Cn1c(ccn1)CN BC273639 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.11 Cn1c(ccn1)CO BC683092 [0,0,0,0,0,0|3,0,1]=4 5 B8R1.11 Cn1cccc1C=O BC675646 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.11 c1csc(c1Br)C#N BC210235 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.11 c1csc(c1Br)C=O BC219795 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.11 c1csc(c1Cl)C=O BC679930 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.1 CCc1cccs1 BC210545 [1,0,0,0,0,0|1,0,2]=4 10 B7R1.1 c1c(nc[nH]1)C=O BC207063 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.1 c1c(scn1)C=O BC678913 [1,0,0,0,0,0|1,0,0]=2 12 B7R1.1 c1c(scn1)CO BC200640 [1,0,0,0,0,0|1,0,1]=3 13 B7R1.1 c1c(snn1)S[Na] BC227971 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.1 c1cc([nH]c1)C=O BC210794 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.1 c1cc(sc1)C#N BC205596 [1,0,0,0,0,0|2,0,1]=4 16 B7R1.1 c1cc(sc1)C=O BC225721 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.1 c1cn(cn1)C=O BC222414 [1,0,0,0,0,0|3,0,0]=4 18 B7R1.1 c1cnsc1C=O BC677321 [1,0,0,0,0,0|3,0,0]=4 19 B7R1.1 c1cscc1C=O BC676777 [1,0,0,0,0,0|3,0,0]=4 20 B7R1.4 Cc1c(nc[nH]1)Br BC645293 [1,0,0,0,0,0|2,0,1]=4 21 B7R1.4 Cc1c(scn1)C BC225737 [1,0,0,0,0,0|0,0,1]=2 22 B7R1.4 Cn1c(ccn1)N BC222455 [1,0,0,0,0,0|3,0,0]=4 23 B7R1.4 c1csc(c1Br)N BC297033 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.14 c1csc(c1C=O)C=O BC219796 [0,1,0,0,0,0|2,0,1]=4 25 B9R1.14 c1nc(c(s1)C=O)C=O BC225210 [0,1,0,0,0,0|1,0,1]=3 26 B9R1.22 Cc1c(sc(n1)N)CN BC678794 [0,1,0,0,0,0|1,0,1]=3 27 B9R1.22 Cc1cc([nH]c1C=O)C BC227861 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.33 Cc1c(scn1)CCO BC200852 [0,1,0,0,0,0|0,0,2]=3 29 B9R1.41 Cc1c(nco1)C(=O)O BC650836 [0,1,0,0,0,0|3,0,0]=4 30 B9R1.41 Cc1c(ncs1)C(=O)O BC652152 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.41 Cc1c(ocn1)C(=O)O BC689523 [0,1,0,0,0,0|1,1,0]=3 32 B9R1.41 Cc1c(scn1)C(=O)O BC679074 [0,1,0,0,0,0|1,0,0]=2 33 B9R1.41 Cn1c(ccn1)C(=O)O BC649926 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.41 c1csc(c1N)C(=O)O BC288632 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.2 Cc1cccc(n1)C=O BC202245 [0,0,0,0,0,1|3,0,0]=4 36 B9R1.2 Cc1nccc(n1)C=O BC200464 [0,0,0,0,0,1|2,0,0]=3 37 B9R1.2 Cc1nccc(n1)CO BC684778 [0,0,0,0,0,1|2,0,1]=4 38 B9R1.2 c1cnc(cc1C=O)Br BC207461 [0,0,0,0,0,1|3,0,0]=4 39 B9R1.2 c1cnc(cc1C=O)Cl BC222332 [0,0,0,0,0,1|3,0,0]=4 40 B9R1.2 c1cnc(cc1C=O)O BC229040 [0,0,0,0,0,1|3,0,0]=4 41 B9R1.15 CCc1c(nccn1)C BC210593 [0,0,0,0,0,1|1,0,2]=4 42 B9R1.15 Cc1c(cccn1)C=O BC656201 [0,0,0,0,0,1|2,0,0]=3 43 B9R1.15 Cc1cccnc1C=O BC207525 [0,0,0,0,0,1|3,0,0]=4 44 B9R1.15 c1cc(c(nc1)Cl)C=O BC225225 [0,0,0,0,0,1|3,0,0]=4 45 B9R1.15 c1cc(c(nc1)F)C=O BC208207 [0,0,0,0,0,1|3,0,0]=4 46 B9R1.15 c1cc(c(nc1)N)C=O BC208204 [0,0,0,0,0,1|3,0,0]=4 47 B9R1.15 c1cnc(c(n1)C=O)Cl BC670991 [0,0,0,0,0,1|3,0,0]=4 48 B9R1.15 c1cncc(c1C=O)Br BC225219 [0,0,0,0,0,1|3,0,0]=4 49 B9R1.15 c1cncc(c1C=O)N BC208028 [0,0,0,0,0,1|3,0,0]=4 50 B6R1.2 Cc1[nH]ccn1 BC228979 [2,0,0,0,0,0|2,0,0]=4 51 B6R1.2 Cc1c[nH]cn1 BC200416 [2,0,0,0,0,0|1,0,0]=3 52 B6R1.2 Cc1c[nH]nn1 BC655515 [2,0,0,0,0,0|2,0,0]=4 53 B6R1.2 Cc1nc[nH]n1 BC206611 [2,0,0,0,0,0|2,0,0]=4 54 B6R1.2 Cn1cccn1 BC202050 [2,0,0,0,0,0|2,0,0]=4 55 B6R1.2 Cn1cncn1 BC207617 [2,0,0,0,0,0|2,0,0]=4 56 B6R1.2 c1c([nH]cn1)Cl BC220087 [2,0,0,0,0,0|2,0,0]=4 57 B6R1.2 c1c(nc[nH]1)Br BC220072 [2,0,0,0,0,0|2,0,0]=4 58 B6R1.2 c1c(nc[nH]1)I BC220439 [2,0,0,0,0,0|2,0,0]=4 59 B6R1.2 c1c(nc[nH]1)N BC686543 [2,0,0,0,0,0|2,0,0]=4 60 B6R1.2 c1c(ncs1)N BC264749 [2,0,0,0,0,0|1,0,0]=3 61 B6R1.2 c1c(scn1)Br BC222081 [2,0,0,0,0,0|1,0,0]=3 62 B6R1.2 c1c(scn1)N BC225246 [2,0,0,0,0,0|1,0,0]=3 63 B6R1.2 c1c(snn1)N BC210162 [2,0,0,0,0,0|2,0,0]=4 64 B6R1.2 c1cc(sc1)Br BC676814 [2,0,0,0,0,0|2,0,0]=4 65 B6R1.2 c1cc(sc1)Br BC677960 [2,0,0,0,0,0|2,0,0]=4 66 B6R1.2 c1cc(sc1)F BC211749 [2,0,0,0,0,0|2,0,0]=4 67 B6R1.2 c1cscc1Br BC210528 [2,0,0,0,0,0|2,0,0]=4 68 B6R1.2 c1cscc1N BC677154 [2,0,0,0,0,0|2,0,0]=4 69 B6R1.2 c1cscc1N BC686803 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.1 Cc1cc(sc1)C=O BC645199 [1,1,0,0,0,0|2,0,0]=4 71 B8R1.1 Cc1ncc(s1)C=O BC650857 [1,1,0,0,0,0|1,0,0]=3 72 B8R1.1 c1c(csc1C=O)Br BC678555 [1,1,0,0,0,0|2,0,0]=4 73 B8R1.1 c1c(sc(n1)Cl)CCl BC209499 [1,1,0,0,0,0|1,0,1]=4 74 B8R1.1 c1c(sc(n1)Cl)CN BC201455 [1,1,0,0,0,0|1,0,1]=4 75 B8R1.1 c1c(sc(n1)N)C=O BC220680 [1,1,0,0,0,0|1,0,0]=3 76 B8R1.1 c1c(sc(n1)N)CO BC658236 [1,1,0,0,0,0|1,0,1]=4 77 B8R1.7 c1c([nH]cn1)C(=O)O BC223837 [1,1,0,0,0,0|2,0,0]=4 78 B8R1.7 c1c(scn1)C(=O)O BC677323 [1,1,0,0,0,0|1,0,0]=3 79 B8R1.18 Cc1c(sc(n1)Br)Br BC221844 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.113 Cc1nccc(n1)C(=O)O BC684779 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.172 COc1cc(ccn1)C=O BC674863 [0,1,0,0,0,1|2,0,0]=4 82 B10R1.172 c1cnc(cc1C=O)CN BC207462 [0,1,0,0,0,1|2,0,0]=4 83 B10R1.20 c1cc(c(nc1)CN)C=O BC207494 [0,1,0,0,0,1|2,0,0]=4 84 B10R1.61 Cc1c(cccn1)C(=O)C BC650807 [0,1,0,0,0,1|1,0,1]=4 85 B10R1.61 Cc1c(cccn1)C(=O)O BC227078 [0,1,0,0,0,1|2,0,0]=4 86 B10R1.61 Cc1c(nccn1)C(=O)C BC210170 [0,1,0,0,0,1|1,0,1]=4 87 B10R1.61 Cc1cnccc1C(=O)O BC222643 [0,1,0,0,0,1|2,0,0]=4 88 B10R1.149 Cc1c(scn1)C(=O)OC BC214954 [0,2,0,0,0,0|0,0,1]=3 89 B8R1.5 Cc1c(cccn1)Br BC225550 [0,0,1,1,0,0|2,0,0]=4 90 B8R1.5 Cc1c(cccn1)Cl BC656264 [0,0,1,1,0,0|2,0,0]=4 91 B8R1.5 Cc1c(cccn1)F BC677139 [0,0,1,1,0,0|2,0,0]=4 92 B8R1.5 Cc1c(cccn1)N BC219118 [0,0,1,1,0,0|2,0,0]=4 93 B8R1.5 Cc1c(cccn1)O BC225229 [0,0,1,1,0,0|2,0,0]=4 94 B8R1.5 Cc1c(cncn1)N BC202066 [0,0,1,1,0,0|2,0,0]=4 95 B8R1.4 Cc1cc(ccn1)Br BC208673 [0,0,1,1,0,0|2,0,0]=4 96 B8R1.4 Cc1cc(ccn1)Cl BC219169 [0,0,1,1,0,0|2,0,0]=4 97 B8R1.4 Cc1cc(ccn1)O BC208676 [0,0,1,1,0,0|2,0,0]=4 98 B8R1.4 Cc1cc(ncn1)Cl BC204226 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.4 Cc1cccc(c1)F BC675323 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.4 Cc1cccc(c1)O BC207588 [0,0,1,1,0,0|1,1,0]=4 101 B8R1.4 Cc1cccc(n1)Cl BC227997 [0,0,1,1,0,0|1,0,0]=3 102 B8R1.4 Cc1cccc(n1)N BC202221 [0,0,1,1,0,0|1,0,0]=3 103 B8R1.4 Cc1ccnc(n1)Br BC677913 [0,0,1,1,0,0|2,0,0]=4 104 B8R1.4 Cc1ccnc(n1)Cl BC228088 [0,0,1,1,0,0|2,0,0]=4 105 B8R1.4 Cc1cncc(n1)N BC675568 [0,0,1,1,0,0|2,0,0]=4 106 B8R1.4 c1cc(cc(c1)Br)S BC667223 [0,0,1,1,0,0|2,0,0]=4 107 B8R1.4 c1cc(nc(c1)Br)F BC219144 [0,0,1,1,0,0|2,0,0]=4 108 B8R1.4 c1cc(nc(c1)Br)N BC207509 [0,0,1,1,0,0|2,0,0]=4 109 B8R1.4 c1cc(nc(c1)Cl)N BC201207 [0,0,1,1,0,0|2,0,0]=4 110 B8R1.4 c1cc(nc(c1)F)N BC222333 [0,0,1,1,0,0|2,0,0]=4 111 B8R1.4 c1cc(nc(c1)N)N BC200771 [0,0,1,1,0,0|2,0,0]=4 112 B10R2.7 c1c[nH]c2c1ccnc2 BC213329 [0,0,0,1,0,1|2,0,0]=4 113 B10R2.7 c1cc2cc[nH]c2nc1 BC213330 [0,0,0,1,0,1|2,0,0]=4 114 B10R2.7 c1ccc2c(c1)CC=C2 BC218987 [0,0,0,1,0,1|2,0,0]=4