0 B13R2.57 C=Cc1ccc2ccccc2c1 CHEBI:51325 [1,0,0,0,0,0|0,0,2]=3 1 B13R2.57 COc1ccc2c(c1)cccn2 CHEBI:72822 [1,0,0,0,0,0|1,0,0]=2 2 B13R2.57 c1ccc2cc(ccc2c1)C=O CHEBI:52368 [1,0,0,0,0,0|1,0,1]=3 3 B13R2.57 c1ccc2cc(ccc2c1)CO CHEBI:27615 [1,0,0,0,0,0|1,0,0]=2 4 B15R2.1282 CCOc1ccc2ccc(=O)oc2c1 CHEBI:28184 [0,1,0,0,0,0|1,0,0]=2 5 B15R2.1668 c1ccc2cc(ccc2c1)CC(=O)O CHEBI:37837 [0,1,0,0,0,0|2,0,1]=4 6 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCN CHEBI:16765 [0,0,0,0,1,0|3,0,0]=4 7 B13R2.1 c1ccc2c(c1)c(c[nH]2)CCO CHEBI:17890 [0,0,0,0,1,0|3,0,0]=4 8 B13R2.1 c1ccc2c(c1)c(c[nH]2)CC[NH3+] CHEBI:57887 [0,0,0,0,1,0|3,0,0]=4 9 B12R2.24 Cc1cc2ccccc2nc1 CHEBI:20140 [2,0,0,0,0,0|1,0,0]=3 10 B12R2.24 Cc1ccc2ccccc2c1 CHEBI:50720 [2,0,0,0,0,0|0,0,0]=2 11 B12R2.24 Cc1ccc2ccccc2n1 CHEBI:132813 [2,0,0,0,0,0|1,0,0]=3 12 B12R2.24 Cc1cnc2ccccc2n1 CHEBI:132812 [2,0,0,0,0,0|2,0,0]=4 13 B12R2.24 c1cc2cc(ccc2nc1)O CHEBI:48994 [2,0,0,0,0,0|1,0,0]=3 14 B12R2.24 c1cc2ccc(cc2nc1)O CHEBI:48980 [2,0,0,0,0,0|1,0,0]=3 15 B12R2.24 c1ccc2c(c1)ccc(=O)[nH]2 CHEBI:18289 [2,0,0,0,0,0|1,0,1]=4 16 B12R2.24 c1ccc2c(c1)ccc(=O)o2 CHEBI:28794 [2,0,0,0,0,0|1,0,1]=4 17 B12R2.24 c1ccc2c(c1)ccc(n2)O CHEBI:16365 [2,0,0,0,0,0|1,0,0]=3 18 B12R2.24 c1ccc2c(c1)ncc(n2)O CHEBI:38890 [2,0,0,0,0,0|2,0,0]=4 19 B12R2.24 c1ccc2cc(ccc2c1)N CHEBI:27878 [2,0,0,0,0,0|1,0,0]=3 20 B12R2.24 c1ccc2cc(ccc2c1)O CHEBI:10432 [2,0,0,0,0,0|0,0,0]=2 21 B14R1.68 CC(=O)Oc1ccc(cc1)\C=C\C=O CHEBI:86561 [0,1,1,0,0,0|1,0,1]=4 22 B14R2.92 c1ccc2c(c1)ccc(c2O)C=O CHEBI:28091 [1,1,0,0,0,0|1,0,1]=4 23 B14R2.134 COc1ccc2ccc(=O)oc2c1 CHEBI:5679 [1,1,0,0,0,0|1,0,0]=3 24 B14R2.781 CC(=O)c1ccc2ccccc2c1 CHEBI:52364 [1,1,0,0,0,0|0,0,1]=3 25 B14R2.781 c1ccc2cc(ccc2c1)C(=O)N CHEBI:88317 [1,1,0,0,0,0|1,0,1]=4 26 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O CHEBI:36106 [1,1,0,0,0,0|1,0,1]=4 27 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] CHEBI:36107 [1,1,0,0,0,0|1,0,1]=4 28 B14R2.781 c1ccc2cc(ccc2c1)[N+](=O)[O-] CHEBI:50637 [1,1,0,0,0,0|2,0,0]=4 29 B14R2.2 CC(Cc1c[nH]c2c1cccc2)N CHEBI:59020 [0,1,0,0,1,0|2,0,0]=4 30 B14R2.3 CNCCc1c[nH]c2c1cccc2 CHEBI:28136 [0,1,0,0,1,0|2,0,0]=4 31 B16R2.477 c1ccc2cc(ccc2c1)OCC(=O)O CHEBI:50397 [0,2,0,0,0,0|0,0,1]=3 32 B16R2.5347 c1ccc2cc(ccc2c1)NC(=O)CN CHEBI:90347 [0,2,0,0,0,0|1,0,1]=4 33 B16R2.82802 c1ccc2cc(ccc2c1)OP(=O)(O)O CHEBI:91043 [0,2,0,0,0,0|2,0,0]=4 34 B12R2.1 c1ccc2c(c1)c(c[nH]2)CN CHEBI:65009 [1,0,0,0,1,0|2,0,0]=4 35 B12R2.1 c1ccc2c(c1)c(c[nH]2)CO CHEBI:24814 [1,0,0,0,1,0|2,0,0]=4