smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)[nH+]1 ZINC000328986452 223127861 /nfs/dbraw/zinc/12/78/61/223127861.db2.gz HYPMCVFNGFLHSU-UHFFFAOYSA-N 2 2 374.420 2.352 40 5 FEBBLP O=C1c2cccc([N+](=O)[O-])c2OCC1(C[NH+]1CCCC1)C[NH+]1CCCC1 ZINC000034781547 539977641 /nfs/dbraw/zinc/97/76/41/539977641.db2.gz IPECKXWGVCWHGG-UHFFFAOYSA-N 2 2 359.426 2.348 40 5 FEBBLP C[NH+](C)CCCNc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)[nH+]1 ZINC000329070534 553875061 /nfs/dbraw/zinc/87/50/61/553875061.db2.gz ZHIHRJDYEGQUAT-UHFFFAOYSA-N 2 2 374.420 2.352 40 5 FEBBLP