smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(O[C@@H]2C[NH2+][C@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1 ZINC000049113673 205169681 /nfs/dbraw/zinc/16/96/81/205169681.db2.gz DCLRBWCBZZADCC-PMACEKPBSA-N 1 3 368.481 1.754 1 30 FDEFHO N#Cc1ccc(O[C@H]2C[NH2+][C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1 ZINC000049113993 221019772 /nfs/dbraw/zinc/01/97/72/221019772.db2.gz DCLRBWCBZZADCC-WOJBJXKFSA-N 1 3 368.481 1.754 1 30 FDEFHO N#Cc1ccc(O[C@@H]2C[NH2+][C@@H](C(=O)N3CCCN(C4CCC4)CC3)C2)cc1 ZINC000049088320 221019498 /nfs/dbraw/zinc/01/94/98/221019498.db2.gz DCLRBWCBZZADCC-VQTJNVASSA-N 1 3 368.481 1.754 1 30 FDEFHO