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)(CCSS(C)(=O)=O)CCSS(C)(=O)=O ZINC000002528478 717094562 /nfs/dbraw/zinc/09/45/62/717094562.db2.gz SVIQLNLMHOZRKM-UHFFFAOYSA-N 1 0 322.519 0.448 10 50 DCGERO