smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2cc(C)c(=S)[n-]c2c1 ZINC000013535244 343035712 /nfs/dbraw/zinc/03/57/12/343035712.db2.gz KSKDPXCBQGPRJE-UHFFFAOYSA-N -1 3 189.283 3.514 40 0 AHABHM [O-]c1ccc(Cl)cc1C1=CCCC1 ZINC000062701910 171103690 /nfs/dbraw/zinc/10/36/90/171103690.db2.gz DGTAEGZZEVMBCP-UHFFFAOYSA-N -1 3 194.661 3.613 40 0 AHABHM Cc1cc(C)c2ccc(=S)[n-]c2c1 ZINC000072207212 343561999 /nfs/dbraw/zinc/56/19/99/343561999.db2.gz PFIOVSNPYFPLQF-UHFFFAOYSA-N -1 3 189.283 3.514 40 0 AHABHM Cc1cc2ccc(=S)[n-]c2cc1C ZINC000072207213 343562049 /nfs/dbraw/zinc/56/20/49/343562049.db2.gz JVDLMOODDHFMJF-UHFFFAOYSA-N -1 3 189.283 3.514 40 0 AHABHM