smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2[nH]c(N=NNCC(=O)NCC(=O)[O-])nc2c(=O)n(C)c1=O ZINC000002279589 375157272 /nfs/dbraw/zinc/15/72/72/375157272.db2.gz WWHMGHYIMNYFEB-UHFFFAOYSA-N -1 2 338.284 -2.251 50 10 EACALM