smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[N+]1(CCS(N)(=O)=O)CCOCC1 ZINC000001563968 342703135 /nfs/dbraw/zinc/70/31/35/342703135.db2.gz GYHMULUDOIDQMC-UHFFFAOYSA-N 1 3 210.279 -2.004 40 5 BABBHO