smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(C[C@@]1(C(=O)N2CC[NH2+]CC2)CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000161157846 373058522 /nfs/dbraw/zinc/05/85/22/373058522.db2.gz HYUVSIQODCQRPU-HNNXBMFYSA-N 3 0 309.414 -1.780 20 70 DAIDRP O=C(C[C@]1(C(=O)N2CC[NH2+]CC2)CC[NH2+]C1)N1CC[NH2+]CC1 ZINC000161157742 373058370 /nfs/dbraw/zinc/05/83/70/373058370.db2.gz HYUVSIQODCQRPU-OAHLLOKOSA-N 3 0 309.414 -1.780 20 70 DAIDRP