smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C2=CCC[C@H](CC[N+](C)(C)C)[C@@H]1CCCC2 ZINC000101042701 370287047 /nfs/dbraw/zinc/28/70/47/370287047.db2.gz OMBLMIDOBXNZNL-ZBFHGGJFSA-N 1 3 251.438 3.251 40 5 CGBBHO CC[C@@H](CC(=O)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000006411886 170199449 /nfs/dbraw/zinc/19/94/49/170199449.db2.gz OCHQTXYAWJPADO-ZDUSSCGKSA-N 1 3 278.352 3.288 40 5 CGBBHO