smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000004256579 210154171 /nfs/dbraw/zinc/15/41/71/210154171.db2.gz VXBNCOZSCHIUCP-CQSZACIVSA-N 2 1 330.432 4.065 1 5 EIBFMP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000004256580 210153934 /nfs/dbraw/zinc/15/39/34/210153934.db2.gz VXBNCOZSCHIUCP-AWEZNQCLSA-N 2 1 330.432 4.065 1 5 EIBFMP