smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)Cc1ccc([C@H](C)c2nnc3sc(=S)[n-]n32)cc1 ZINC000028654614 182534221 /nfs/dbraw/zinc/53/42/21/182534221.db2.gz JNYZLNDBSLIERM-JTQLQIEISA-N -1 2 318.471 3.825 1 0 DHAFLM