0 B13R2.371 O=c1[nH][nH]c(=O)c2c1cccc2 CSC000175151 [1,0,0,0,0,0|0,0,0]=1 1 B13R1.17 Brc1ccc(cc1)C(=O)NCC=C CSC000155314 [0,0,1,0,0,0|3,0,0]=4 2 B13R1.17 CCCNC(=O)c1ccc(cc1)N CSC000746451 [0,0,1,0,0,0|2,0,1]=4 3 B13R1.17 Cc1ccc(cc1)C(=O)NCC=C CSC000160313 [0,0,1,0,0,0|3,0,0]=4 4 B13R1.17 Clc1ccc(cc1)C(=O)NCC=C CSC000160285 [0,0,1,0,0,0|3,0,0]=4 5 B13R1.17 Ic1ccc(cc1)C(=O)NCC=C CSC000155316 [0,0,1,0,0,0|3,0,0]=4 6 B13R1.17 Nc1ccc(cc1)C(=O)NCC=C CSC000742746 [0,0,1,0,0,0|2,0,0]=3 7 B13R1.165 NC(=O)c1cc(ccc1[N+](=O)[O-])Cl CSC000192808 [0,0,1,0,0,0|3,0,0]=4 8 B13R1.165 NC(=O)c1ccc(cc1[N+](=O)[O-])Br CSC012349628 [0,0,1,0,0,0|3,0,0]=4 9 B13R1.165 NC(=O)c1ccc(cc1[N+](=O)[O-])Cl CSC000162190 [0,0,1,0,0,0|3,0,0]=4 10 B13R1.2209 COc1ccc(cc1C(=O)NN)Br CSC011203042 [0,0,1,0,0,0|3,0,0]=4 11 B12R1.16 CCNC(=O)c1ccc(cc1)N CSC000741011 [1,0,1,0,0,0|1,0,1]=4 12 B12R1.30 C=CCNC(=O)c1ccccc1 CSC000160304 [1,0,1,0,0,0|2,0,0]=4 13 B12R1.17 CCNC(=O)c1cccc(c1)N CSC000181407 [1,0,1,0,0,0|1,0,1]=4 14 B12R1.261 NC(=O)c1ccccc1[N+](=O)[O-] CSC000187317 [1,0,1,0,0,0|2,0,0]=4 15 B12R1.77 CNc1ccccc1C(=O)NN CSC000019922 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.77 COc1ccccc1C(=O)NN CSC000189102 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.1703 CNC(=O)c1ccc(cc1Cl)N CSC000742945 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.1703 Cc1cc(ccc1C(=O)NN)Cl CSC011996896 [1,0,1,0,0,0|1,0,1]=4 19 B12R1.1703 Cc1ccc(c(c1)C)C(=O)NN CSC000189823 [1,0,1,0,0,0|1,0,1]=4 20 B12R1.1703 Cc1ccc(c(c1)Cl)C(=O)NN CSC000187075 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.1703 Cc1ccc(c(c1)O)C(=O)NN CSC000193368 [1,0,1,0,0,0|1,0,1]=4 22 B12R1.1703 NNC(=O)c1ccc(cc1Br)F CSC000203923 [1,0,1,0,0,0|2,0,0]=4 23 B12R1.1703 NNC(=O)c1ccc(cc1Cl)Br CSC000751675 [1,0,1,0,0,0|2,0,0]=4 24 B12R1.1703 NNC(=O)c1ccc(cc1F)Br CSC009812619 [1,0,1,0,0,0|2,0,0]=4 25 B12R1.1703 NNC(=O)c1ccc(cc1F)F CSC000189803 [1,0,1,0,0,0|2,0,0]=4 26 B12R1.354 Cc1ccc(c(c1)C(=O)NN)C CSC000189821 [1,0,1,0,0,0|1,0,1]=4 27 B12R1.354 Cc1ccc(c(c1)C(=O)NN)O CSC000193374 [1,0,1,0,0,0|1,0,1]=4 28 B12R1.354 NNC(=O)c1cc(ccc1Br)F CSC000205862 [1,0,1,0,0,0|2,0,0]=4 29 B12R1.354 NNC(=O)c1cc(ccc1Cl)Br CSC000189792 [1,0,1,0,0,0|2,0,0]=4 30 B12R1.354 NNC(=O)c1cc(ccc1F)F CSC000194117 [1,0,1,0,0,0|2,0,0]=4 31 B12R1.354 NNC(=O)c1cc(ccc1O)Br CSC000193350 [1,0,1,0,0,0|1,0,1]=4 32 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)Br CSC000152858 [0,1,1,0,0,0|1,0,0]=3 33 B14R1.678 CC(=O)NNC(=O)c1ccc(cc1)Cl CSC000002346 [0,1,1,0,0,0|1,0,0]=3 34 B14R1.678 NC(=O)CNC(=O)c1ccc(cc1)Br CSC000162127 [0,1,1,0,0,0|2,0,0]=4 35 B14R1.678 NC(=O)CNC(=O)c1ccc(cc1)Cl CSC000162140 [0,1,1,0,0,0|2,0,0]=4 36 B14R1.678 NC(=O)CNC(=O)c1ccc(cc1)F CSC000162139 [0,1,1,0,0,0|2,0,0]=4 37 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)Br CSC000155536 [0,1,1,0,0,0|1,0,0]=3 38 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)C CSC034343310 [0,1,1,0,0,0|1,0,0]=3 39 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)Cl CSC020586510 [0,1,1,0,0,0|1,0,0]=3 40 B14R1.149 CC(=O)NNC(=O)c1cccc(c1)I CSC000155538 [0,1,1,0,0,0|1,0,0]=3 41 B14R1.149 NC(=O)CNC(=O)c1cccc(c1)Cl CSC000162128 [0,1,1,0,0,0|2,0,0]=4 42 B14R1.149 Nc1cccc(c1)C(=O)NCC(=O)O CSC011204447 [0,1,1,0,0,0|1,0,0]=3 43 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)I CSC000194595 [0,1,1,0,0,0|2,0,0]=4 44 B14R2.29369 Cn1ccc2cc(ccc2c1=O)Br CSC010246303 [1,1,0,0,0,0|2,0,0]=4 45 B14R2.8716 CN1C(=O)c2ccc(cc2C1=O)Br CSC009814873 [0,1,0,0,1,0|1,0,0]=3 46 B14R2.8716 CN1C(=O)c2ccc(cc2C1=O)F CSC015872448 [0,1,0,0,1,0|1,0,0]=3