smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)ccc1[N+](=O)[O-] ZINC000583615396 560776172 /nfs/dbraw/zinc/77/61/72/560776172.db2.gz LVMWIBWBWAMROA-HNNXBMFYSA-N 1 2 413.482 0.979 10 5 HCBELO Cc1nc(NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)ccc1[N+](=O)[O-] ZINC000583615397 560776133 /nfs/dbraw/zinc/77/61/33/560776133.db2.gz LVMWIBWBWAMROA-OAHLLOKOSA-N 1 2 413.482 0.979 10 5 HCBELO