0 B17R2.5639 CC(=O)c1cnc(s1)NC(C)c2cccs2 27a_100000703493_200010173910 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.5639 CC(Nc1ncc(s1)C(=O)N)c2cccs2 27a_100000703493_100010220624 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.478 CC(=O)c1cnc(s1)NCc2cccs2 27a_100000211653_200010173910 [1,0,0,0,0,0|2,0,1]=4 3 B16R2.478 NC(=O)c1cnc(s1)NCc2cccs2 27a_100000211653_100010220624 [1,0,0,0,0,0|2,0,1]=4 4 B16R2.2337 CC(Nc1ncc(s1)C=O)c2cccs2 27a_100000703493_100009814069 [1,0,0,0,0,0|2,0,1]=4 5 B16R1.3415 C/C=C/C=CC(=O)Cc1ccc(s1)[N+](=O)[O-] 1458a_100000185730_200010296502 [0,0,1,0,0,0|3,0,0]=4 6 B16R1.3415 C=CCNCC(=O)Nc1ncc(s1)[N+](=O)[O-] 2230a_100020586998_100000183304 [0,0,1,0,0,0|1,0,2]=4 7 B18R2.7059 O=C(Cc1ccc(s1)[N+](=O)[O-])c2ccccc2 1458a_100000185807_200010296502 [0,0,0,0,0,1|3,0,0]=4 8 B18R2.7065 CC(=O)c1cnc(s1)SCC(=O)c2cccs2 62a_100000211436_200010173910 [0,0,0,0,0,1|3,0,0]=4 9 B18R2.7065 CC(=O)c1cnc(s1)SCC(=O)c2cccs2 62a_200010173910_100000211436 [0,0,0,0,0,1|3,0,0]=4 10 B18R2.7065 CC(NCc1ccc(s1)[N+](=O)[O-])c2cccs2 2230a_100000703493_200010296502 [0,0,0,0,0,1|2,0,1]=4 11 B18R2.7065 NC(=O)c1cnc(s1)SCC(=O)c2cccs2 62a_100000211436_100010220624 [0,0,0,0,0,1|3,0,0]=4 12 B18R2.7065 NC(=O)c1cnc(s1)SCC(=O)c2cccs2 62a_100010220624_100000211436 [0,0,0,0,0,1|3,0,0]=4 13 B18R2.7070 O=C(CN1CC=CC1)Nc2ncc(s2)[N+](=O)[O-] 269982a_100015195280_100000183304 [0,0,0,0,0,1|2,0,1]=4 14 B18R2.7070 O=C(Cc1ccc(o1)[N+](=O)[O-])Cc2cccs2 1458a_100000210189_200011215689 [0,0,0,0,0,1|2,1,0]=4 15 B18R2.7070 O=C(Cc1ccc[nH]1)Cc2ccc(s2)[N+](=O)[O-] 1458a_100000238377_200010296502 [0,0,0,0,0,1|3,0,0]=4 16 B18R2.7070 O=C(Cc1ccco1)Cc2ccc(s2)[N+](=O)[O-] 1458a_100011217309_200010296502 [0,0,0,0,0,1|2,1,0]=4 17 B18R2.7070 O=C(Cc1cccs1)Cc2ccc(s2)[N+](=O)[O-] 1458a_100000210189_200010296502 [0,0,0,0,0,1|2,0,0]=3 18 B15R1.2199 C=CC=CC(=O)Cc1ccc(s1)[N+](=O)[O-] 1458a_100016291481_200010296502 [1,0,1,0,0,0|2,0,0]=4 19 B15R2.2238 O=Cc1cnc(s1)NCc2cccs2 27a_100000211653_100009814069 [2,0,0,0,0,0|1,0,1]=4 20 B17R1.21814 CC=CC(=O)CC(=O)Nc1ncc(s1)[N+](=O)[O-] 1458a_100000210699_100000183304 [0,1,1,0,0,0|1,0,1]=4 21 B17R1.21814 O=C(C=CBr)CC(=O)Nc1ncc(s1)[N+](=O)[O-] 1458a_100016273825_100000183304 [0,1,1,0,0,0|1,0,1]=4 22 B17R1.21814 O=C(C=CCl)CC(=O)Nc1ncc(s1)[N+](=O)[O-] 1458a_200016279998_100000183304 [0,1,1,0,0,0|1,0,1]=4 23 B17R1.21814 O=C(C=CI)CC(=O)Nc1ncc(s1)[N+](=O)[O-] 1458a_100016256311_100000183304 [0,1,1,0,0,0|1,0,1]=4 24 B19R2.12544 COC(=O)c1cnc(s1)NC(=O)Cc2cccs2 188690a_100000231023_100000210189 [0,1,0,0,0,1|1,0,1]=4 25 B19R2.45467 O=C(Cc1cc(cs1)Br)Cc2ccc(s2)[N+](=O)[O-] 1458a_100011542370_200010296502 [0,1,0,0,0,1|2,0,0]=4 26 B19R2.45467 O=C(Cc1ccc(s1)Br)Cc2ccc(s2)[N+](=O)[O-] 1458a_100000238643_200010296502 [0,1,0,0,0,1|2,0,0]=4 27 B19R2.45467 O=C(Cc1ccc(s1)Cl)Cc2ccc(s2)[N+](=O)[O-] 1458a_100000238644_200010296502 [0,1,0,0,0,1|2,0,0]=4 28 B17R2.5640 O=[N+]([O-])c1ccc(s1)CNCc2cccs2 2230a_100000211653_200010296502 [1,0,0,0,0,1|1,0,1]=4 29 B17R2.2538 O=Cc1cnc(s1)SCC(=O)c2cccs2 62a_100000211436_100009814069 [1,0,0,0,0,1|2,0,0]=4 30 B17R2.2538 O=Cc1cnc(s1)SCC(=O)c2cccs2 62a_100009814069_100000211436 [1,0,0,0,0,1|2,0,0]=4 31 B19R2.8719 O=C(COCc1ccc(s1)[N+](=O)[O-])c2cccs2 7a_100011997354_100000211436 [0,0,0,0,0,2|2,0,0]=4 32 B19R2.8719 O=C(NN=Cc1cc(cs1)[N+](=O)[O-])c2cccs2 4a_100000184746_100000078564 [0,0,0,0,0,2|2,0,0]=4 33 B19R2.8719 O=C(NN=Cc1ccc(o1)[N+](=O)[O-])c2cccs2 4a_100000184746_100000182627 [0,0,0,0,0,2|1,1,0]=4 34 B19R2.8719 O=C(NN=Cc1ccc(s1)[N+](=O)[O-])c2ccc[nH]2 4a_100000018271_100000766382 [0,0,0,0,0,2|2,0,0]=4 35 B19R2.8719 O=C(NN=Cc1ccc(s1)[N+](=O)[O-])c2ccco2 4a_100000185077_100000766382 [0,0,0,0,0,2|1,1,0]=4 36 B19R2.8719 O=C(NN=Cc1ccc(s1)[N+](=O)[O-])c2cccs2 4a_100000184746_100000766382 [0,0,0,0,0,2|1,0,0]=3 37 B19R2.8719 O=C(NN=Cc1ccc(s1)[N+](=O)[O-])c2cncs2 4a_200000241815_100000766382 [0,0,0,0,0,2|2,0,0]=4 38 B19R2.8719 O=C(NN=Cc1ccc(s1)[N+](=O)[O-])c2nccs2 4a_100000077877_100000766382 [0,0,0,0,0,2|2,0,0]=4 39 B19R2.8739 CC(=NNc1ccc(cn1)[N+](=O)[O-])c2cccs2 4a_100000737981_100000185736 [0,0,0,0,0,2|2,0,0]=4 40 B19R2.8739 O=C(CNc1ccc(cc1)[N+](=O)[O-])c2cccs2 2230a_100015195142_100000211436 [0,0,0,0,0,2|2,0,0]=4 41 B19R2.8790 O=C(COc1cncc(c1)[N+](=O)[O-])c2cccs2 7a_100009862860_100000211436 [0,0,0,0,0,2|2,0,0]=4 42 B19R2.8744 O=C(Cc1cccs1)Nc2ccc(cc2)[N+](=O)[O-] 11a_100015195142_100000210189 [0,0,0,0,0,2|2,0,0]=4 43 B19R2.8744 O=C(Cc1cccs1)Nc2ccc(cc2)[N+](=O)[O-] 1626a_100015195142_100000210189 [0,0,0,0,0,2|2,0,0]=4 44 B19R2.8795 O=C(Cc1cc(ccn1)[N+](=O)[O-])Cc2cccs2 1458a_100000210189_100010177786 [0,0,0,0,0,2|2,0,0]=4 45 B19R2.8795 O=C(Cc1cccs1)Nc2cccc(c2)[N+](=O)[O-] 11a_100000184103_100000210189 [0,0,0,0,0,2|2,0,0]=4 46 B19R2.8795 O=C(Cc1cccs1)Nc2cccc(c2)[N+](=O)[O-] 1626a_100000184103_100000210189 [0,0,0,0,0,2|2,0,0]=4 47 B19R2.8795 O=C(Cc1cccs1)Nc2cccc(c2)[N+](=O)[O-] 22a_100000184103_100000210189 [0,0,0,0,0,2|2,0,0]=4 48 B19R2.111807 O=C(C=Cc1cccs1)Cc2ccc(s2)[N+](=O)[O-] 1458a_100000182767_200010296502 [0,0,0,0,0,2|2,0,0]=4 49 B19R2.111807 O=C(CCc1cccs1)Cc2ccc(s2)[N+](=O)[O-] 1458a_100000185280_200010296502 [0,0,0,0,0,2|2,0,0]=4 50 B19R2.111807 O=C(COc1ccsc1)Nc2ncc(s2)[N+](=O)[O-] 7a_100000106738_100000183304 [0,0,0,0,0,2|2,0,0]=4