0 B10R1.39 CCn1nccc1[N+](=O)[O-] CSC000054878 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.39 COc1ccsc1C(=O)N CSC000752662 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.41 Cc1ccsc1C(=O)N CSC000162183 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.41 Cc1sccc1C(=O)N CSC000068317 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.59 CCn1nccc1C(=O)NC CSC015326349 [0,1,0,0,0,0|1,0,0]=2 5 B11R1.59 CCn1nccc1C(=O)NN CSC000080381 [0,1,0,0,0,0|2,0,0]=3 6 B11R1.59 CCn1nccc1C(=O)OC CSC012185918 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.59 COC(=O)c1sccc1OC CSC011218578 [0,1,0,0,0,0|3,0,0]=4 8 B11R1.64 CCn1c(ncc1[N+](=O)[O-])C CSC000019450 [0,1,0,0,0,0|3,0,0]=4 9 B11R1.178 NC(=O)c1ccnn1C(F)F CSC009887972 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.193 CCCn1nccc1[N+](=O)[O-] CSC000092451 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.193 [O-][N+](=O)c1ccnn1CCF CSC010364603 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.471 CCn1ncc(c1C(=O)N)Cl CSC046195626 [0,1,0,0,0,0|2,0,0]=3 13 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [0,0,0,0,0,1|3,0,0]=4 14 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [0,0,0,0,0,1|3,0,0]=4 15 B11R1.57 CCc1nccn1CC(=O)C CSC011473204 [0,0,0,0,0,1|3,0,0]=4 16 B8R1.11 CSc1nccn1C CSC000000347 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.5 CCc1nccn1CCO CSC011473219 [1,1,0,0,0,0|1,0,1]=4 18 B10R1.149 COC(=O)c1ccoc1C CSC000198963 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.149 COC(=O)c1ccsc1C CSC012003538 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.149 COC(=O)c1cnnn1C CSC012184884 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.149 COC(=O)c1cocc1C CSC009857685 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.149 COC(=O)c1sccc1C CSC000150764 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.192 Cn1ncc(c1C(=O)N)I CSC010776205 [1,1,0,0,0,0|2,0,0]=4 24 B12R1.46 COc1ccc(cc1C(=O)C)Br CSC000173343 [0,1,0,0,0,1|2,0,0]=4 25 B12R1.57 COc1cc(ccc1C(=O)C)Br CSC000709911 [0,1,0,0,0,1|2,0,0]=4 26 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [0,1,0,0,0,1|2,0,0]=4 27 B12R1.77 CNC(=O)c1ccccc1SC CSC000159722 [0,1,0,0,0,1|2,0,0]=4 28 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [0,1,0,0,0,1|2,0,0]=4 29 B12R1.77 COC(=O)c1ccccc1SC CSC000151494 [0,1,0,0,0,1|2,0,0]=4 30 B12R1.77 COC(=O)c1cccnc1OC CSC011203184 [0,1,0,0,0,1|2,0,0]=4 31 B12R1.77 COC(=O)c1cccnc1SC CSC000149765 [0,1,0,0,0,1|2,0,0]=4 32 B12R1.77 COC(=O)c1ncccc1OC CSC011997691 [0,1,0,0,0,1|2,0,0]=4 33 B12R1.283 CCSc1ccccc1C(=O)N CSC000019821 [0,1,0,0,0,1|2,0,0]=4 34 B12R1.279 CCOc1cccc(c1)C(=O)N CSC000027222 [0,1,0,0,0,1|2,0,0]=4 35 B12R1.435 CCc1cccc(n1)C(=O)OC CSC009857250 [0,1,0,0,0,1|1,0,0]=3 36 B12R1.435 CNC(=O)c1cccc(c1)OC CSC000159855 [0,1,0,0,0,1|2,0,0]=4 37 B12R1.435 COC(=O)c1cccc(c1)OC CSC000148714 [0,1,0,0,0,1|2,0,0]=4 38 B12R1.435 COC(=O)c1cccc(c1)SC CSC009884918 [0,1,0,0,0,1|2,0,0]=4 39 B12R1.1926 CCn1cc(cc1C(=O)OC)Br CSC011766942 [0,2,0,0,0,0|0,0,0]=2 40 B12R1.291 CCCn1nccc1C(=O)NN CSC000081663 [0,2,0,0,0,0|2,0,0]=4 41 B12R1.291 CCCn1nccc1C(=O)OC CSC011999930 [0,2,0,0,0,0|1,0,0]=3 42 B12R1.316 CCNC(=O)c1ccnn1CC CSC016050654 [0,2,0,0,0,0|1,0,0]=3 43 B12R1.316 CCOC(=O)c1ccnn1CC CSC012558227 [0,2,0,0,0,0|1,0,0]=3 44 B12R1.368 COC(=O)c1cccn1C(C)C CSC012706164 [0,2,0,0,0,0|0,0,0]=2 45 B12R1.368 COC(=O)c1ccnn1C(C)C CSC011999184 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.658 CCn1ncc(c1C(=O)NN)Cl CSC000080384 [0,2,0,0,0,0|2,0,0]=4 47 B12R1.658 CCn1ncc(c1C(=O)OC)Cl CSC014140701 [0,2,0,0,0,0|1,0,0]=3 48 B10R1.10 CCSc1cccc(c1)C CSC000055746 [0,0,1,1,0,0|2,0,0]=4 49 B10R1.16 CCNCc1ccc(s1)C CSC000189073 [0,0,1,1,0,0|0,1,1]=4 50 B10R1.4 CCNc1ccccc1Cl CSC000219383 [0,0,1,1,0,0|1,0,1]=4 51 B10R1.4 CCSc1ccccc1C CSC000053911 [0,0,1,1,0,0|2,0,0]=4 52 B12R1.75 CCc1ccccc1NC(=O)C CSC000154698 [0,0,0,0,0,2|1,0,0]=3 53 B12R1.75 CCc1ccccc1NC(=O)N CSC011196910 [0,0,0,0,0,2|2,0,0]=4 54 B12R1.75 COc1ccccc1OC(=O)C CSC000002000 [0,0,0,0,0,2|2,0,0]=4 55 B12R1.438 CCc1cccc(c1)NC(=O)N CSC000239041 [0,0,0,0,0,2|2,0,0]=4 56 B12R1.438 COc1cccc(c1)OC(=O)C CSC000001337 [0,0,0,0,0,2|2,0,0]=4 57 B12R1.438 CSc1cccc(c1)NC(=O)C CSC000153993 [0,0,0,0,0,2|2,0,0]=4