smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]c2nc(=O)sc-2c(C)c1N=Nc1ccccc1 ZINC000089229838 179758352 /nfs/dbraw/zinc/75/83/52/179758352.db2.gz DXCKYQTYXQECHF-ISLYRVAYSA-N -1 1 284.344 4.017 10 10 CICEMM O=C1[N-]C(=S)C(=Cc2ccc(-c3ccccc3)o2)S1 ZINC000035517046 172243086 /nfs/dbraw/zinc/24/30/86/172243086.db2.gz MEOXUJXVEXAWJX-WQLSENKSSA-N -1 1 287.365 4.071 10 10 CICEMM