smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(c1ccccc1)[C@@H]1c2ccccc2NC(=NCCC[NH2+]CCCC[NH2+]CCCN)C1(C)C ZINC000013678612 562983708 /nfs/dbraw/zinc/98/37/08/562983708.db2.gz PEOHNOWDCJWHSD-AREMUKBSSA-N 2 3 464.702 4.413 1 30 JIEFHP CN(c1ccccc1)[C@H]1c2ccccc2NC(=NCCC[NH2+]CCCC[NH2+]CCCN)C1(C)C ZINC000013678614 562983747 /nfs/dbraw/zinc/98/37/47/562983747.db2.gz PEOHNOWDCJWHSD-SANMLTNESA-N 2 3 464.702 4.413 1 30 JIEFHP