smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCn1cc([N+](=O)[O-])c(=O)[nH]c1=O ZINC000001620672 387133597 /nfs/dbraw/zinc/13/35/97/387133597.db2.gz QMGQSEXXQZFJQA-UHFFFAOYSA-N -1 1 229.148 -1.081 40 5 BABBMM O=C([O-])Cn1cc([N+](=O)[O-])c(=O)[nH]c1=O ZINC000004298487 388398696 /nfs/dbraw/zinc/39/86/96/388398696.db2.gz YTIVWMOCZYRTFQ-UHFFFAOYSA-N -1 1 215.121 -1.471 40 5 BABBMM Nc1nc(C(=O)[O-])c([N+](=O)[O-])c(=O)[nH]1 ZINC000004878841 344751440 /nfs/dbraw/zinc/75/14/40/344751440.db2.gz BXEPGHBAZNRZHO-UHFFFAOYSA-N -1 1 200.110 -1.042 40 5 BABBMM