smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CC(=O)NNC(=Cc1nc2ccc(Cl)cc2[nH]c1=O)C1=NS(=O)(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N1 ZINC000082171132 717135305 /nfs/dbraw/zinc/13/53/05/717135305.db2.gz HPUMYNYLUVCLKJ-UHFFFAOYSA-O 1 0 630.516 0.811 1 50 KCGFRO