smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCNc1ccc(C[NH3+])c2sc3ccccc3c(=O)c12 ZINC000101483031 219127897 /nfs/dbraw/zinc/12/78/97/219127897.db2.gz ZHLMWNKEIRSOPZ-UHFFFAOYSA-N 1 3 327.453 2.847 1 5 EFBFHO