smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCCC(=O)N1CN2CN(C(=O)CCC[NH3+])CC([N+](=O)[O-])(C2)C1 ZINC000003147639 303374411 /nfs/dbraw/zinc/37/44/11/303374411.db2.gz PHRJQSODHMTAJF-UHFFFAOYSA-N 2 0 342.400 -1.619 10 5 EABERP C(=C/C[N+]12CN3CN(CN(C3)C1)C2)\C[N+]12CN3CN(CN(C3)C1)C2 ZINC000019327210 685047937 /nfs/dbraw/zinc/04/79/37/685047937.db2.gz RHBBTPSZCUVJEU-OWOJBTEDSA-N 2 0 334.472 -1.440 10 5 EABERP