smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CC#CCCCCCCCCCCC#CC[NH+](C)C ZINC000002338204 563926106 /nfs/dbraw/zinc/92/61/06/563926106.db2.gz GMJCSGXKEZRNLS-UHFFFAOYSA-N 1 3 304.522 4.017 50 30 DIEAHO CN(C)/C=C/C=C1\CC(C(C)(C)C)C/C(=C\C=C\[NH+](C)C)C1=O ZINC000039404806 1045585692 /nfs/dbraw/zinc/58/56/92/1045585692.db2.gz UARQHGPYVQFKHZ-ULVYIGGFSA-N 1 3 316.489 4.015 50 30 DIEAHO