smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c([O-])c(C=CC=C2C(=O)N(C)C(=S)N(C)C2=O)c(=O)n(C)c1=S ZINC000100256860 211384988 /nfs/dbraw/zinc/38/49/88/211384988.db2.gz QYMJOSXSAMGWEZ-AATRIKPKSA-N -1 1 380.451 -0.484 40 10 GBCBMM