smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=c1[n-]c2cc3[n-]c(=S)sc3cc2s1 ZINC000005426073 170098223 /nfs/dbraw/zinc/09/82/23/170098223.db2.gz VZSDRNJKLUQUEJ-UHFFFAOYSA-N -2 0 256.402 4.231 10 0 CIAERL CC(C)CCCCCCCCCCOP(=O)([O-])[O-] ZINC000005758157 170137393 /nfs/dbraw/zinc/13/73/93/170137393.db2.gz ASBWGYODEQCTNZ-UHFFFAOYSA-N -2 0 280.345 4.263 10 0 CIAERL