smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2ccccc2c1 ZINC000033616518 527123764 /nfs/dbraw/zinc/12/37/64/527123764.db2.gz NISFAIXCOKCVHV-MSOLQXFVSA-N 3 0 455.567 -0.302 10 30 JBEERP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)Nc1ccc2ccccc2c1 ZINC000033616519 527124092 /nfs/dbraw/zinc/12/40/92/527124092.db2.gz NISFAIXCOKCVHV-ZWKOTPCHSA-N 3 0 455.567 -0.302 10 30 JBEERP