smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1nc(C)ccc1O ZINC001319799124 1386301341 /nfs/dbraw/zinc/30/13/41/1386301341.db2.gz RVILLBFUBWKNAY-UHFFFAOYSA-N -2 2 344.440 3.218 10 0 EGAELL