0 B10R1.61 CS(=O)c1ccccc1F CSC011216808 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 NC(=O)c1ccccc1Br CSC000162158 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 NC(=O)c1ccccc1Cl CSC000162159 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.61 NC(=O)c1ccccc1I CSC000162227 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 NC(=O)c1cccnc1F CSC012002233 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 NC(=O)c1ncccc1Cl CSC000099198 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 NC(=O)c1ncccc1F CSC009850871 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 CS(=O)c1ccccc1 CSC000038873 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.6 CS(=O)c1ccccn1 CSC000064355 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 CNc1ncccc1Br CSC000700899 [1,0,0,0,0,0|3,0,0]=4 10 B11R1.53 CNc1cccnc1[N+](=O)[O-] CSC011381840 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.53 CNc1ncccc1[N+](=O)[O-] CSC000197359 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.53 COc1cccnc1[N+](=O)[O-] CSC000006493 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.156 Cc1cccc(c1C(=O)N)C CSC011218824 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.159 Cc1c(cccc1C(=O)N)Br CSC012298201 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.159 Cc1c(cccc1C(=O)N)I CSC010003273 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.159 Cc1cccc(c1C)C(=O)N CSC000162285 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.166 Cc1cc(ccc1C(=O)N)Br CSC011327924 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.166 Cc1cc(ccc1C(=O)N)F CSC011997080 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.166 Cc1ccc(c(c1)C)C(=O)N CSC000162304 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.166 Cc1ncc(c(n1)C)C(=O)N CSC009824503 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.166 NC(=O)c1ncc(cc1F)F CSC000042384 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.167 Cc1ccc(c(c1)C(=O)N)C CSC000162255 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.167 Cc1ccc(cc1C(=O)N)F CSC000242012 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.222 CNC(=O)c1cccnc1C CSC011922290 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.222 CNC(=O)c1nccnc1N CSC000025198 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.222 COC(=O)c1ccccc1Cl CSC000150121 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.222 COC(=O)c1ccccc1I CSC000148710 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.222 COC(=O)c1cccnc1C CSC011216498 [0,1,0,0,0,0|1,0,0]=2 37 B11R1.222 COC(=O)c1cccnc1F CSC011934352 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.222 COC(=O)c1ccncc1C CSC011934321 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.222 COC(=O)c1cnccc1C CSC011999757 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.222 COC(=O)c1ncccc1Br CSC011935214 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.222 COC(=O)c1ncccc1Cl CSC000093117 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.222 COC(=O)c1ncccc1F CSC000084157 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.222 COC(=O)c1nccnc1C CSC000090199 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.222 NNC(=O)c1nccnc1N CSC000012858 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.41 Cc1ccsc1C(=O)N CSC000162183 [0,0,0,0,1,0|2,0,0]=3 46 B9R1.41 Cc1nnsc1C(=O)N CSC000216899 [0,0,0,0,1,0|3,0,0]=4 47 B9R1.41 Cc1sccc1C(=O)N CSC000068317 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.41 NC(=O)c1sccc1Br CSC000239328 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.41 NC(=O)c1sccc1Cl CSC011995880 [0,0,0,0,1,0|3,0,0]=4 50 B11R1.86 CC(=O)Nc1ccccc1Br CSC000153524 [0,0,0,0,0,1|3,0,0]=4 51 B11R1.86 CC(=O)Nc1ccccc1C CSC000153662 [0,0,0,0,0,1|2,0,0]=3 52 B11R1.86 CC(=O)Nc1ccccc1Cl CSC000153741 [0,0,0,0,0,1|3,0,0]=4 53 B11R1.86 CC(=O)Nc1ccccc1F CSC000154224 [0,0,0,0,0,1|3,0,0]=4 54 B11R1.86 CC(=O)Nc1ccccc1I CSC000154044 [0,0,0,0,0,1|3,0,0]=4 55 B11R1.86 CC(=O)Nc1ncccc1C CSC000016773 [0,0,0,0,0,1|1,0,0]=2 56 B11R1.86 CC(=O)Nc1ncccc1O CSC000022013 [0,0,0,0,0,1|2,0,0]=3 57 B11R1.86 CC(=O)Oc1ccccc1C CSC000001913 [0,0,0,0,0,1|2,0,0]=3 58 B11R1.86 CC(=O)Oc1ccccc1F CSC000001835 [0,0,0,0,0,1|3,0,0]=4 59 B11R1.86 Cc1ccccc1NC(=O)N CSC000181700 [0,0,0,0,0,1|3,0,0]=4 60 B10R1.13 NC(=O)c1ccc(cn1)Br CSC011219284 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.13 NC(=O)c1ccc(cn1)Cl CSC011834066 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.13 NC(=O)c1ccc(cn1)F CSC012180490 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.15 ONC(=O)c1cccnc1 CSC000190125 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.113 NC(=O)c1cc(ccn1)Cl CSC000229564 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.113 NC(=O)c1cccc(n1)F CSC011830463 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.113 NC(=O)c1cncc(c1)Br CSC000162242 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.113 NC(=O)c1cncc(c1)F CSC011996012 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.39 COc1ccsc1C(=O)N CSC000752662 [0,1,0,0,1,0|2,0,0]=4 69 B10R1.59 CC(=O)c1nc(sc1C)C CSC000008397 [0,1,0,0,1,0|1,0,0]=3 70 B10R1.59 Cc1nc(c(s1)C(=O)N)C CSC000188090 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.149 COC(=O)c1ccoc1Br CSC011935261 [0,1,0,0,1,0|2,0,0]=4 72 B10R1.149 COC(=O)c1ccoc1C CSC000198963 [0,1,0,0,1,0|1,0,0]=3 73 B10R1.149 COC(=O)c1ccsc1Br CSC009822520 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.149 COC(=O)c1ccsc1C CSC012003538 [0,1,0,0,1,0|1,0,0]=3 75 B10R1.149 COC(=O)c1cn[nH]c1C CSC011998119 [0,1,0,0,1,0|1,0,1]=4 76 B10R1.149 COC(=O)c1cnnn1C CSC012184884 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.149 COC(=O)c1cocc1C CSC009857685 [0,1,0,0,1,0|2,0,0]=4 78 B10R1.149 COC(=O)c1csnc1C CSC000106640 [0,1,0,0,1,0|1,0,0]=3 79 B10R1.149 COC(=O)c1ncoc1C CSC000063398 [0,1,0,0,1,0|1,0,0]=3 80 B10R1.149 COC(=O)c1oncc1C CSC012003539 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.149 COC(=O)c1sccc1Br CSC011218980 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.149 COC(=O)c1sccc1C CSC000150764 [0,1,0,0,1,0|1,0,0]=3 83 B10R1.149 COC(=O)c1scnc1C CSC011302605 [0,1,0,0,1,0|1,0,0]=3 84 B10R1.149 Cc1ccoc1C(=O)NN CSC000217430 [0,1,0,0,1,0|2,0,0]=4 85 B10R1.149 Cc1ccsc1C(=O)NN CSC000189776 [0,1,0,0,1,0|2,0,0]=4 86 B10R1.192 Cc1noc(c1C(=O)N)C CSC000016683 [0,1,0,0,1,0|2,0,0]=4 87 B10R1.192 Cn1ncc(c1C(=O)N)I CSC010776205 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.75 CCc1ccccc1NC(=O)C CSC000154698 [0,1,0,0,0,1|2,0,0]=4 89 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [0,1,0,0,0,1|2,0,0]=4 90 B12R1.124 CN(C(=O)C)c1ccccc1C CSC012109126 [0,1,0,0,0,1|2,0,0]=4 91 B12R1.127 CC(=O)Nc1cc(ccc1C)Br CSC011344836 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.127 CC(=O)Nc1cc(ccc1C)C CSC000152684 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.127 CC(=O)Nc1cc(ccc1C)F CSC000155779 [0,1,0,0,0,1|2,0,0]=4 94 B12R1.127 CC(=O)Nc1cc(ccc1C)N CSC000740626 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.127 CC(=O)Oc1cc(ccc1C)C CSC000002421 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.224 CC(=O)Nc1cccc(c1C)Br CSC011775766 [0,1,0,0,0,1|2,0,0]=4 97 B12R1.224 CC(=O)Nc1cccc(c1C)C CSC000153689 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.224 CC(=O)Nc1cccc(c1C)N CSC000736503 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.233 CC(=O)Nc1ccc(cc1C)Cl CSC000154214 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.233 CC(=O)Nc1ncc(cc1Br)C CSC009816786 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.233 CC(=O)Nc1ncc(cc1C)Br CSC011934169 [0,1,0,0,0,1|1,0,0]=3 102 B12R1.233 CC(=O)Nc1ncc(cc1C)Cl CSC009862376 [0,1,0,0,0,1|1,0,0]=3 103 B12R1.233 CC(=O)Nc1ncc(cc1C)I CSC000012997 [0,1,0,0,0,1|1,0,0]=3 104 B12R1.233 CC(=O)Nc1ncc(cc1Cl)Cl CSC000024117 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.371 CCC(=O)Nc1ccccc1C CSC000153667 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.371 CNC(=O)Cc1ccccc1C CSC000175625 [0,1,0,0,0,1|2,0,0]=4 107 B12R1.371 CNC(=O)Nc1ccccc1C CSC000235315 [0,1,0,0,0,1|2,0,0]=4 108 B12R1.371 CNC(=O)Nc1ncccc1C CSC000048767 [0,1,0,0,0,1|1,0,0]=3 109 B12R1.371 COC(=O)Cc1ccccc1C CSC000175439 [0,1,0,0,0,1|2,0,0]=4 110 B12R1.371 Cc1ccccc1NC(=O)CN CSC000168393 [0,1,0,0,0,1|2,0,0]=4 111 B12R1.371 ClCC(=O)Nc1cccnc1Cl CSC000182560 [0,1,0,0,0,1|2,0,0]=4 112 B12R1.1009 CC(=O)Nc1c(cccc1C)C CSC000152485 [0,1,0,0,0,1|2,0,0]=4 113 B12R1.1009 CC(=O)Nc1c(cccc1Cl)C CSC011996691 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.1009 CC(=O)Nc1c(cccc1O)C CSC000103797 [0,1,0,0,0,1|2,0,0]=4 115 B12R1.1009 CC(=O)Oc1c(cccc1C)C CSC000001954 [0,1,0,0,0,1|2,0,0]=4 116 B12R1.46 COc1ccc(cc1C(=O)C)Br CSC000173343 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.57 COc1cc(ccc1C(=O)C)Br CSC000709911 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.77 CNC(=O)c1ccccc1SC CSC000159722 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.77 COC(=O)c1ccccc1SC CSC000151494 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.77 COC(=O)c1cccnc1OC CSC011203184 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.77 COC(=O)c1cccnc1SC CSC000149765 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.77 COC(=O)c1ncccc1OC CSC011997691 [0,2,0,0,0,0|1,0,0]=3 125 B12R1.3441 COC(=O)c1c(cccc1Br)C CSC010204206 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.3441 COC(=O)c1c(cccc1C)C CSC011997366 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.3441 COC(=O)c1c(cccc1I)C CSC010187551 [0,2,0,0,0,0|2,0,0]=4 128 B12R1.24 COC(=O)c1cccc(c1C)Br CSC012298220 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.24 COC(=O)c1cccc(c1C)C CSC000149159 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.24 COC(=O)c1cccc(c1C)I CSC010168159 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.24 COC(=O)c1cccc(c1C)O CSC011999632 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.1703 CNC(=O)c1ccc(cc1C)C CSC000159917 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.1703 CNC(=O)c1cnc(nc1C)C CSC015263088 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.1703 COC(=O)c1ccc(cc1C)C CSC000149307 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.1703 COC(=O)c1ccc(cc1C)Cl CSC012000500 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.1703 COC(=O)c1ccc(cc1C)F CSC011997371 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.1703 COC(=O)c1ncc(cc1F)F CSC000106392 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.354 CNC(=O)c1cc(ccc1C)C CSC000159876 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.354 COC(=O)c1cc(ccc1C)Br CSC000703529 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.354 COC(=O)c1cc(ccc1C)C CSC000148939 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.354 COC(=O)c1cc(ccc1C)Cl CSC012000380 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.354 COC(=O)c1cc(ccc1C)I CSC012360116 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.354 COC(=O)c1cc(cnc1F)Br CSC010243567 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.308 CCNC(=O)c1ccccc1C CSC000160149 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.308 CCOC(=O)c1ccccc1C CSC000170245 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.308 CCOC(=O)c1cccnc1C CSC000750000 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.308 CCOC(=O)c1ncccc1C CSC000725470 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.308 CCOC(=O)c1ncccc1F CSC000106390 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.308 CCOC(=O)c1nccnc1C CSC000094559 [0,2,0,0,0,0|0,0,0]=2 150 B12R1.308 CCOC(=O)c1nccnc1N CSC000246222 [0,2,0,0,0,0|1,0,0]=3 151 B8R1.11 CSc1nccn1C CSC000000347 [1,0,0,0,1,0|2,0,0]=4 152 B12R1.125 CC(=O)NCc1ccccc1C CSC000175807 [0,0,0,0,0,2|2,0,0]=4 153 B12R1.125 CC(=O)NNc1ccccc1C CSC015226515 [0,0,0,0,0,2|2,0,0]=4 154 B12R1.125 CC(=O)OCc1ccccc1C CSC000000619 [0,0,0,0,0,2|2,0,0]=4