smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CCC(N=Nc2nnn[n-]2)c2ncc(C(=O)[O-])c(=O)n21 ZINC000040466062 183072859 /nfs/dbraw/zinc/07/28/59/183072859.db2.gz AMOYXTMCUCKGGV-MQMMVLLVSA-N -2 1 304.270 -0.374 1 30 DBEFML C=C[C@@H](Cn1cnc2c1nc(N)[nH]c2=O)OCP(=O)([O-])[O-] ZINC000005853074 181289631 /nfs/dbraw/zinc/28/96/31/181289631.db2.gz ROSOTDMRFMYKGI-LURJTMIESA-N -2 1 315.226 -0.592 1 30 DBEFML C[C@H]1CCC(N=Nc2nnn[n-]2)c2ncc(C(=O)[O-])c(=O)n21 ZINC000040466065 183072592 /nfs/dbraw/zinc/07/25/92/183072592.db2.gz AMOYXTMCUCKGGV-HUNBHSMMSA-N -2 1 304.270 -0.374 1 30 DBEFML