smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCn1c2ccccc2c2c[nH+]c(N)c(C#N)c21 ZINC000004834653 170026549 /nfs/dbraw/zinc/02/65/49/170026549.db2.gz JKZSHEYOKFHFIG-UHFFFAOYSA-N 2 2 279.347 2.205 1 30 CEEFLP