smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3O)C2)C1 ZINC000514289151 560033293 /nfs/dbraw/zinc/03/32/93/560033293.db2.gz IRESLIHSUAXBHD-QZTJIDSGSA-N 1 1 402.495 -0.250 40 10 biogenic,in-vitro HBCBMO CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccc3O)C2)C1 ZINC000514289152 560033316 /nfs/dbraw/zinc/03/33/16/560033316.db2.gz IRESLIHSUAXBHD-ZWKOTPCHSA-N 1 1 402.495 -0.250 40 10 biogenic,in-vitro HBCBMO