smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1ccc([C@H](C#N)CCCc2ccccc2)cc1 ZINC000017039863 520587917 /nfs/dbraw/zinc/58/79/17/520587917.db2.gz NORDHUOLOBRMOI-SFHVURJKSA-N 2 1 374.492 3.922 40 30 FHEBMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc([C@H](C#N)CCCc2ccccc2)c1 ZINC000017039860 520588088 /nfs/dbraw/zinc/58/80/88/520588088.db2.gz WNCKKNJQXNBPKU-SFHVURJKSA-N 2 1 374.492 3.502 40 30 FHEBMP