smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000216911086 385875391 /nfs/dbraw/zinc/87/53/91/385875391.db2.gz NUVGAWQAGWQTAQ-LLVKDONJSA-N 2 1 227.352 0.396 40 70 BCIBMP C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000216911119 385875194 /nfs/dbraw/zinc/87/51/94/385875194.db2.gz NUVGAWQAGWQTAQ-NSHDSACASA-N 2 1 227.352 0.396 40 70 BCIBMP