smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CC[NH+]([C@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000035318107 569031416 /nfs/dbraw/zinc/03/14/16/569031416.db2.gz MECBVDFKVYGXEC-FQEVSTJZSA-N 1 2 403.479 3.545 10 5 HHBELO CC1CC[NH+]([C@@H](C(=O)NC2CCCCC2)c2cc3c(cc2[N+](=O)[O-])OCO3)CC1 ZINC000035318110 569031384 /nfs/dbraw/zinc/03/13/84/569031384.db2.gz MECBVDFKVYGXEC-HXUWFJFHSA-N 1 2 403.479 3.545 10 5 HHBELO