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)C(=O)N=[N+](O)C(CO)(CO)[N+](=O)[O-] ZINC000019321792 384516130 /nfs/dbraw/zinc/51/61/30/384516130.db2.gz JAIPVHINLNIMJK-CLFYSBASSA-N 1 2 236.184 -1.412 10 10 BACELO