smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014741487 519289801 /nfs/dbraw/zinc/28/98/01/519289801.db2.gz DQLOQVFEWYPALO-FQEVSTJZSA-N 2 2 470.017 2.862 10 30 JFEELP C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014741487 519289804 /nfs/dbraw/zinc/28/98/04/519289804.db2.gz DQLOQVFEWYPALO-FQEVSTJZSA-N 2 2 470.017 2.862 10 30 JFEELP C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([N@@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014741486 519286064 /nfs/dbraw/zinc/28/60/64/519286064.db2.gz DQLOQVFEWYPALO-HXUWFJFHSA-N 2 2 470.017 2.862 10 30 JFEELP C=CCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([N@H+]1CCOc3ccc(Cl)cc3C1)C2 ZINC000014741486 519286074 /nfs/dbraw/zinc/28/60/74/519286074.db2.gz DQLOQVFEWYPALO-HXUWFJFHSA-N 2 2 470.017 2.862 10 30 JFEELP