smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1cc(CN2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)c(C)n1 ZINC000012429743 519281777 /nfs/dbraw/zinc/28/17/77/519281777.db2.gz OPJKMYLLTAROIK-FQEVSTJZSA-N 1 3 344.547 3.567 10 30 EHEEHO C=CCn1cc(CN2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)c(C)n1 ZINC000012429742 211377296 /nfs/dbraw/zinc/37/72/96/211377296.db2.gz OPJKMYLLTAROIK-HXUWFJFHSA-N 1 3 344.547 3.567 10 30 EHEEHO