smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-n2nnnc2C[NH2+]CCNC(=O)C(N)=O)cc1 ZINC001133195292 776660647 /nfs/dbraw/zinc/66/06/47/776660647.db2.gz AHVDKNMEAAGAMH-UHFFFAOYSA-N 1 2 319.325 -1.638 20 10 DACDLO [NH3+][C@@H](Cc1nn[nH]n1)C(=O)NCC(=O)c1ccc(O)c(O)c1 ZINC001220490078 780217525 /nfs/dbraw/zinc/21/75/25/780217525.db2.gz RWZKMRIIFOVDSZ-ZETCQYMHSA-N 1 2 306.282 -1.520 20 10 DACDLO C[NH+]1CCN(CCCNC=C2C(=O)NC(=S)NC2=O)CC1 ZINC000730971407 663253994 /nfs/dbraw/zinc/25/39/94/663253994.db2.gz WZBYNCMLDQQOBB-UHFFFAOYSA-N 1 2 311.411 -1.372 20 10 DACDLO