smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1ccc([S-])c(S)c1 ZINC000002570047 166383077 /nfs/dbraw/zinc/38/30/77/166383077.db2.gz RDLVSWJHDFENPL-UHFFFAOYSA-N -1 1 198.356 3.562 10 0 AHAEMM CC(C)(C)c1ccc(S)c([S-])c1 ZINC000002570047 166383076 /nfs/dbraw/zinc/38/30/76/166383076.db2.gz RDLVSWJHDFENPL-UHFFFAOYSA-N -1 1 198.356 3.562 10 0 AHAEMM Cc1csc2cc(Cl)c([O-])cc12 ZINC000039391878 571926795 /nfs/dbraw/zinc/92/67/95/571926795.db2.gz KUZAAOYVXDFFOO-UHFFFAOYSA-N -1 1 198.674 3.569 10 0 AHAEMM [O-]c1cc(C2=CCCC2)ccc1Cl ZINC000306257734 345148917 /nfs/dbraw/zinc/14/89/17/345148917.db2.gz QXLFNZLPOREMHL-UHFFFAOYSA-N -1 1 194.661 3.613 10 0 AHAEMM [O-]c1ccc(C2=CCCC2)cc1Cl ZINC000306405772 345265516 /nfs/dbraw/zinc/26/55/16/345265516.db2.gz DPOQSOKHNDLNRI-UHFFFAOYSA-N -1 1 194.661 3.613 10 0 AHAEMM