smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn2c(ncc(C(=O)N3CCC4(CC3)N=C(N(C)C)NC4=O)c2=O)[nH]1 ZINC000218064865 206368017 /nfs/dbraw/zinc/36/80/17/206368017.db2.gz DKMWKUWXJQALPN-UHFFFAOYSA-N 0 2 372.389 -1.252 50 70 FAIALN