0 B10R1.119 Cc1c(c(ccc1O)O)C BC209237 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.119 Cc1c(ccc(c1N)N)F BC227779 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.119 Cc1ccc(c(c1C)C)C BC630679 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.119 Cc1ccc(c(c1Cl)N)Cl BC213137 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.119 Cc1ccc(c(c1O)C)O BC206302 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.3 Cc1c(cccc1Br)N BC221954 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.3 Cc1c(cccc1F)N BC215399 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.3 Cc1cccc(c1Br)F BC201345 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.3 Cc1cccc(c1C)Br BC206660 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.3 Cc1cccc(c1F)N BC206794 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.3 Cc1cccc(c1N)F BC211661 [1,0,0,0,0,0|3,0,0]=4 11 B9R1.3 Cc1cccn(c1=O)C BC655672 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.3 c1cc(c(c(c1)Br)O)N BC225215 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.3 c1cc(c(c(c1)Cl)O)Cl BC228038 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.3 c1cc(c(c(c1)F)Br)O BC210240 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.3 c1cc(c(c(c1)O)Cl)N BC686632 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.3 c1cc(c(c(c1)O)O)O BC202160 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.3 c1cnc(c(c1Br)O)N BC228713 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.3 c1cnc(c(c1Cl)O)N BC228716 [1,0,0,0,0,0|2,0,1]=4 19 B9R1.3 c1cnc(c(c1F)O)N BC228720 [1,0,0,0,0,0|2,0,1]=4 20 B9R1.69 Cc1cc(c(nc1)N)O BC228725 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.69 Cc1cc(ccc1Br)O BC207712 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.69 Cc1cc(ccc1Cl)Cl BC207920 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.69 Cc1cc(ccc1Cl)O BC207565 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.69 Cc1cc(ccc1F)Br BC207178 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.69 Cc1cc(ccc1I)O BC211956 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.69 Cc1cc(ccc1N)I BC220172 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.69 Cc1cc(ccc1N)N BC203474 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.69 Cc1cc(ccc1N)O BC649929 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.69 Cc1cc(ccc1O)O BC201519 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.69 Cc1cc(ccc1O)S BC220806 [1,0,0,0,0,0|2,1,0]=4 31 B9R1.69 Cc1ccc(c(c1)Br)C BC202051 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.69 Cc1ccc(c(c1)Br)O BC228036 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.69 Cc1ccc(c(c1)C)S BC685862 [1,0,0,0,0,0|2,1,0]=4 34 B9R1.69 Cc1ccc(c(c1)N)F BC207170 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.69 Cc1ccc(c(c1)N)I BC680398 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 Cc1ccc(c(c1)O)O BC204625 [1,0,0,0,0,0|1,0,1]=3 37 B9R1.69 Cc1ccc(c(n1)O)Br BC208734 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 Cc1ccc(cc1C)Br BC201497 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.69 Cc1ccc(cc1F)Br BC227411 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.69 Cc1ccc(cc1N)Br BC211655 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 Cc1ccc(cc1N)F BC207142 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 Cc1ccc(cc1O)Cl BC683431 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 c1cc(c(cc1Br)O)Cl BC680561 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 c1cc(c(cc1F)O)Br BC210242 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.69 c1cc(c(cc1F)O)N BC686429 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 c1cc(c(cc1F)O)O BC201436 [1,0,0,0,0,0|2,0,1]=4 47 B9R1.69 c1cc(c(cc1N)O)Cl BC677592 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 c1cc(c(cc1N)O)O BC673428 [1,0,0,0,0,0|2,0,1]=4 49 B9R1.69 c1cc(c(cc1O)O)Br BC210237 [1,0,0,0,0,0|3,0,0]=4 50 B11R1.32 Cc1cc(c(c(c1O)C)C)O BC212377 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.278 Cc1c(ccc(c1O)C=O)O BC202522 [0,1,0,0,0,0|2,0,0]=3 52 B9R1.37 Cc1c(c(n(n1)C)C)Br BC653663 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.37 Cc1c(c(n(n1)C)C)N BC243409 [0,0,0,0,1,0|3,0,0]=4 54 B8R1.4 Cc1cc(ccn1)Br BC208673 [2,0,0,0,0,0|1,0,1]=4 55 B8R1.4 Cc1cc(ccn1)Cl BC219169 [2,0,0,0,0,0|1,0,1]=4 56 B8R1.4 Cc1cc(ccn1)O BC208676 [2,0,0,0,0,0|0,0,2]=4 57 B8R1.4 Cc1cc(cnc1)O BC201216 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.4 Cc1cccc(c1)F BC675323 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.4 Cc1cccc(c1)O BC207588 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.4 c1cc(cc(c1)O)O BC207605 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.5 Cc1c(cccn1)Br BC225550 [2,0,0,0,0,0|1,0,1]=4 63 B8R1.5 Cc1c(cccn1)Cl BC656264 [2,0,0,0,0,0|1,0,1]=4 64 B8R1.5 Cc1c(cccn1)F BC677139 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.5 Cc1c(cccn1)N BC219118 [2,0,0,0,0,0|1,0,1]=4 66 B8R1.5 Cc1c(cccn1)O BC225229 [2,0,0,0,0,0|0,0,1]=3 67 B8R1.5 Cc1cccc[n+]1[O-] BC213117 [2,0,0,0,0,0|1,0,1]=4 68 B8R1.5 Cc1cccnc1O BC225228 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.5 Cc1ccncc1C BC667797 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.5 Cc1ccncc1O BC656328 [2,0,0,0,0,0|1,0,1]=4 71 B8R1.5 Cn1cccnc1=O BC224691 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.5 c1c(c(=O)nc[nH]1)Br BC666251 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 c1c(c(=O)nc[nH]1)O BC655988 [2,0,0,0,0,0|1,0,0]=3 74 B8R1.5 c1cc(c(nc1)Br)O BC206638 [2,0,0,0,0,0|1,0,1]=4 75 B8R1.5 c1cc(c(nc1)Cl)O BC206637 [2,0,0,0,0,0|1,0,1]=4 76 B8R1.5 c1cc(c(nc1)F)O BC677131 [2,0,0,0,0,0|1,0,1]=4 77 B8R1.5 c1cc(c(nc1)I)O BC206480 [2,0,0,0,0,0|1,0,1]=4 78 B8R1.5 c1cc(c(nc1)N)O BC227987 [2,0,0,0,0,0|1,0,1]=4 79 B8R1.5 c1cc(c(nc1)O)O BC209278 [2,0,0,0,0,0|1,0,1]=4 80 B8R1.5 c1ccc(c(c1)O)I BC213644 [2,0,0,0,0,0|2,0,0]=4 81 B8R1.5 c1ccc(c(c1)O)O BC205707 [2,0,0,0,0,0|1,0,1]=4 82 B8R1.5 c1cncc(c1Br)O BC228930 [2,0,0,0,0,0|1,0,1]=4 83 B8R1.5 c1cncc(c1I)O BC212690 [2,0,0,0,0,0|1,0,1]=4 84 B8R1.5 c1cncc(c1N)O BC228924 [2,0,0,0,0,0|1,0,1]=4 85 B8R1.5 c1cncc(c1O)O BC678752 [2,0,0,0,0,0|0,0,2]=4 86 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.3 Cc1ccc(cc1)I BC208320 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.2 CCc1c(c(=O)cco1)O BC201058 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.2 Cc1c(cccc1OC)N BC203317 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.2 Cc1cccc(c1F)C=O BC201155 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.2 Cc1cccc(c1N)OC BC676810 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.2 c1cc(c(c(c1)Br)O)C=O BC651712 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.2 c1cc(c(c(c1)F)O)C=O BC215402 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.2 c1cc(c(c(c1)O)O)C=O BC213342 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.22 Cc1cc(c(c(c1)O)C)C BC201110 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.22 Cc1cc(cc(c1O)C)Br BC209387 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.22 Cc1cc(nc(c1C)O)O BC206240 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.22 Cn1cc(cc(c1=O)Br)Br BC212246 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.245 Cc1cccc(c1CCl)C BC207590 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.245 Cc1cccc(c1CO)C BC207403 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.25 Cc1cc(ccc1CN)Br BC646006 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.25 Cc1ccc(c(c1)Br)C=O BC675522 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.25 Cc1ccc(c(c1)Cl)C=O BC658832 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.25 Cc1ccc(c(c1)F)C=O BC211664 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.25 c1cc(c(cc1Br)O)C=O BC675928 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.25 c1cc(c(cc1Cl)O)C=O BC676335 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.25 c1cc(c(cc1F)O)C=O BC215403 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.25 c1cc(c(cc1O)O)C=O BC676081 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.176 COc1ccc(c(c1)O)Br BC210248 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.176 Cc1cc(ccc1O)C=O BC204612 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.176 Cc1ccc(cc1C)CCl BC215413 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.176 Cc1ccc(cc1I)C=O BC218138 [1,1,0,0,0,0|2,0,0]=4 113 B10R2.31 c1cc2c(cc1Br)CC2 BC201494 [1,0,0,1,0,0|2,0,0]=4 114 B10R2.31 c1cc2c(cc1N)CC2 BC225112 [1,0,0,1,0,0|2,0,0]=4 115 B8R1.50 CC1=C(C(=O)CO1)O BC207037 [1,0,0,0,1,0|1,0,1]=4