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](N)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000005706877 303219829 /nfs/dbraw/zinc/21/98/29/303219829.db2.gz OMLWNBVRVJYMBQ-YUMQZZPRSA-N 1 3 330.393 -2.590 40 0 endogenous,in-man EAABHO CN(C)CCN(C)[C@H]1[C@@H](C[NH2+]C2CCOCC2)O[C@@H](CO)[C@H]1O ZINC000020464986 289133936 /nfs/dbraw/zinc/13/39/36/289133936.db2.gz VUBUZIHLNKASCK-FXUDXRNXSA-N 1 3 331.457 -1.262 40 0 biogenic,in-vitro EAABHO NC(=O)CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC000071788362 563965797 /nfs/dbraw/zinc/96/57/97/563965797.db2.gz DIBAKBGYJUCGDL-QWRGUYRKSA-N 1 3 339.400 -2.505 40 0 EAABHO NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC000071788362 563965796 /nfs/dbraw/zinc/96/57/96/563965796.db2.gz DIBAKBGYJUCGDL-QWRGUYRKSA-N 1 3 339.400 -2.505 40 0 EAABHO