smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2nc([N-]N=C3C(=O)[N-]C(=O)NC3=O)n(C[C@H](O)CO)c2c(=O)[nH]c1=O ZINC000002520866 570289686 /nfs/dbraw/zinc/28/96/86/570289686.db2.gz SYVUIEPRFCAFLD-BYPYZUCNSA-N -2 3 394.304 -4.090 40 30 GAEBHL Cn1c2nc([N-]N=C3C(=O)[N-]C(=O)NC3=O)n(C[C@@H](O)CO)c2c(=O)[nH]c1=O ZINC000025758775 570419165 /nfs/dbraw/zinc/41/91/65/570419165.db2.gz SYVUIEPRFCAFLD-SCSAIBSYSA-N -2 3 394.304 -4.090 40 30 GAEBHL Cc1ccc(NN=c2[n-]c3nonc3nc2NN=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000408721813 231105669 /nfs/dbraw/zinc/10/56/69/231105669.db2.gz ZITKQMADZZMASF-UHFFFAOYSA-N -2 3 396.327 -1.262 40 30 GAEBHL