smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC[C@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N3CCN(CCO)CC3)c2)CC1 ZINC000059463841 568955590 /nfs/dbraw/zinc/95/55/90/568955590.db2.gz CFELMXURISKLJZ-GOSISDBHSA-N 0 3 423.514 -0.162 40 5 HBBBHN COC[C@@H](O)CN1CCN(c2ccc([N+](=O)[O-])c(N3CCN(CCO)CC3)c2)CC1 ZINC000059463842 568955568 /nfs/dbraw/zinc/95/55/68/568955568.db2.gz CFELMXURISKLJZ-SFHVURJKSA-N 0 3 423.514 -0.162 40 5 HBBBHN