smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000008076396 568490192 /nfs/dbraw/zinc/49/01/92/568490192.db2.gz AZOFEHCPMBRNFD-BZSNNMDCSA-N 2 0 421.542 -0.131 10 0 HBAERP O=C(NCCO)c1cc[n+](CCCCCC[n+]2ccc(C(=O)NCCO)cc2)cc1 ZINC000032106139 558753421 /nfs/dbraw/zinc/75/34/21/558753421.db2.gz DRFDWVXCXOZZTP-UHFFFAOYSA-P 2 0 416.522 -0.034 10 0 HBAERP