smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1c([O-])nc(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)[n-]c1=O ZINC000003659172 562937517 /nfs/dbraw/zinc/93/75/17/562937517.db2.gz GEMYSNLUBNJLMH-UHFFFAOYSA-N -2 3 447.542 1.468 10 30 IDEEHL N#CC(N=Nc1ccc(S(=O)(=O)[O-])cc1[O-])=N[N-]c1ccc(S(=O)(=O)[O-])cc1[O-] ZINC000020436375 557016528 /nfs/dbraw/zinc/01/65/28/557016528.db2.gz LCDGQPJZWQNIQC-QJQDQWMRSA-N -5 3 441.403 1.624 10 30 IDEEHL