smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H]1[C@H](n2ccc(Nc3ncc([N+](=O)[O-])c(C4C[NH2+]C4)n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160093705 1072199746 /nfs/dbraw/zinc/19/97/46/1072199746.db2.gz AHFCGYNGGVPZQY-WGEPELCKSA-N 2 1 420.386 -2.216 20 5 HABDMP [NH3+][C@H]1[C@H](n2ccc(Nc3ncnc(C4C[NH2+]C4)c3[N+](=O)[O-])nc2=O)O[C@H](CO)[C@H]1O ZINC001171263479 1071767044 /nfs/dbraw/zinc/76/70/44/1071767044.db2.gz PUCXJQPONYXVGN-YWGZHDIYSA-N 2 1 420.386 -2.216 20 5 HABDMP [NH3+][C@H]1[C@H](n2ccc(Nc3cc4c(cc3[N+](=O)[O-])C[NH2+]C4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264332 1071767694 /nfs/dbraw/zinc/76/76/94/1071767694.db2.gz AEZROILBOMGOIE-DTZQCDIJSA-N 2 1 404.383 -1.090 20 5 HABDMP