smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NS(=O)(=O)CC[N+]1([NH3+])CCOCC1 ZINC000001563968 342703134 /nfs/dbraw/zinc/70/31/34/342703134.db2.gz GYHMULUDOIDQMC-UHFFFAOYSA-N 2 0 210.279 -2.004 40 5 BABBRP