smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2cc(NC=C3C(=O)NC(=O)N(C)C3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408529866 483397521 /nfs/dbraw/zinc/39/75/21/483397521.db2.gz IEOQJLFFSYJWEP-VOTSOKGWSA-N 0 1 374.313 -0.211 40 10 FBCBMN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)NC3=O)c(N3CCOCC3)cc2[nH]1 ZINC000408531777 483398013 /nfs/dbraw/zinc/39/80/13/483398013.db2.gz LOEDLNDOLIBPAB-UHFFFAOYSA-N 0 1 372.341 -0.233 40 10 FBCBMN Cn1c2cc(NC=C3C(=O)NC(=O)NC3=O)c([N+](=O)[O-])cc2n(C)c1=O ZINC000408534775 483398078 /nfs/dbraw/zinc/39/80/78/483398078.db2.gz RDPOARLNMFKJNW-UHFFFAOYSA-N 0 1 360.286 -0.553 40 10 FBCBMN