smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(NC(=O)c2cnc(-c3ccccn3)[nH]c2=O)c(O)c1 ZINC001190632677 1280987764 /nfs/dbraw/zinc/98/77/64/1280987764.db2.gz MAOJXYSMVPMNPW-UHFFFAOYSA-N -2 2 333.307 2.074 20 30 EEEDLL CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)[O-])c1 ZINC000736484594 578206877 /nfs/dbraw/zinc/20/68/77/578206877.db2.gz CWFUSKVQQHRRGQ-AWEZNQCLSA-N -2 2 347.371 2.030 20 30 EEEDLL CC(C)OCCCNC(=O)C(C#N)=C([O-])c1cccc(NC(=O)[O-])c1 ZINC000736484595 578206908 /nfs/dbraw/zinc/20/69/08/578206908.db2.gz CWFUSKVQQHRRGQ-CQSZACIVSA-N -2 2 347.371 2.030 20 30 EEEDLL