smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)C[NH2+]C)cc1C2=O ZINC000005765882 204149778 /nfs/dbraw/zinc/14/97/78/204149778.db2.gz QOYOBSQVKHEJLZ-UHFFFAOYSA-N 2 0 380.404 0.778 40 10 GCCBRP [NH3+]CCc1ccc(O)c(C[N@@H+]2C[C@H](O)[C@@H](n3c4ccccc4c(=O)[nH]c3=O)C2)c1 ZINC000257290911 212017735 /nfs/dbraw/zinc/01/77/35/212017735.db2.gz QEUGAYHCRNDICP-HKUYNNGSSA-N 2 0 396.447 0.727 40 10 GCCBRP CN(C)c1ccc(C[NH2+][C@@H]2[C@H]3CO[C@H](O3)[C@H](N(C)CC[NH+](C)C)[C@H]2O)cc1 ZINC000020463949 560092680 /nfs/dbraw/zinc/09/26/80/560092680.db2.gz CTEOJWCPLNWAMV-LTFPLMDUSA-N 2 0 378.517 0.189 40 10 biogenic,in-vitro GCCBRP