smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)C[C@H]([NH3+])C[C@@H]1CNCCO1)[C@@H]1CNC(=NC(N)=O)NC1=O ZINC000026496949 211449153 /nfs/dbraw/zinc/44/91/53/211449153.db2.gz WFVGCTKAJWAEJX-OPRDCNLKSA-N 1 3 355.399 -2.732 1 30 FAEFHO CN(C(=O)C[C@@H](N)CCCNC(N)=[NH2+])[C@@H]1CNC(=NC(N)=O)N(C)C1=O ZINC000066075036 205363341 /nfs/dbraw/zinc/36/33/41/205363341.db2.gz SWCCWPHGKWZEGS-DTWKUNHWSA-N 1 3 369.430 -2.505 1 30 FAEFHO CN(C(=O)C[C@@H](N)CCCNC(N)=[NH2+])[C@H]1CNC(=NC(N)=O)N(C)C1=O ZINC000066075038 221239224 /nfs/dbraw/zinc/23/92/24/221239224.db2.gz SWCCWPHGKWZEGS-IUCAKERBSA-N 1 3 369.430 -2.505 1 30 FAEFHO CC(=O)NC1=CC(=O)[C@H](N(C)C(=O)C[C@@H](N)CCCNC(N)=[NH2+])CN1 ZINC000066075044 221238988 /nfs/dbraw/zinc/23/89/88/221238988.db2.gz VECBUCOJZWLUOR-WDEREUQCSA-N 1 3 353.427 -2.056 1 30 FAEFHO CC(=O)NC1=CC(=O)[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(N)=[NH2+])CN1 ZINC000066075046 221239447 /nfs/dbraw/zinc/23/94/47/221239447.db2.gz VECBUCOJZWLUOR-QWRGUYRKSA-N 1 3 353.427 -2.056 1 30 FAEFHO CN(C(=O)C[C@@H]([NH3+])CC1CC[NH2+]CC1)[C@@H]1CNC(=NC(N)=O)[N-]C1=O ZINC000066136622 221242404 /nfs/dbraw/zinc/24/24/04/221242404.db2.gz YLRIODDGIUAUBS-WDEREUQCSA-N 1 3 353.427 -1.085 1 30 FAEFHO CN(C(=O)C[C@@H]([NH3+])CC1CC[NH2+]CC1)[C@H]1CNC(=NC(N)=O)[N-]C1=O ZINC000066136623 221242833 /nfs/dbraw/zinc/24/28/33/221242833.db2.gz YLRIODDGIUAUBS-QWRGUYRKSA-N 1 3 353.427 -1.085 1 30 FAEFHO