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+])NCC(C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-])[N+](=O)[O-] ZINC000096316334 295006415 /nfs/dbraw/zinc/00/64/15/295006415.db2.gz BYWDHWRLYVYSFJ-MNOVXSKESA-N 1 3 309.326 -0.252 40 5 biogenic,in-vitro DBBBHO NC(=[NH2+])NCC(C[C@H]([NH2+]Cc1ccccc1)C(=O)[O-])[N+](=O)[O-] ZINC000096316333 382609440 /nfs/dbraw/zinc/60/94/40/382609440.db2.gz BYWDHWRLYVYSFJ-QWRGUYRKSA-N 1 3 309.326 -0.252 40 5 biogenic,in-vitro DBBBHO