smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1sc(C(=O)OC)c(O)c1O ZINC000101172773 384374300 /nfs/dbraw/zinc/37/43/00/384374300.db2.gz BYUYLICTAZWKMB-OLQVQODUSA-N -2 2 232.213 -1.045 50 10 BACALL COC(=O)c1sc(C(=O)OC)c(O)c1O ZINC000101172777 384375282 /nfs/dbraw/zinc/37/52/82/384375282.db2.gz BYUYLICTAZWKMB-WDSKDSINSA-N -2 2 232.213 -1.045 50 10 BACALL COC(=O)c1sc(C(=O)OC)c(O)c1O ZINC000101172781 384375513 /nfs/dbraw/zinc/37/55/13/384375513.db2.gz BYUYLICTAZWKMB-PHDIDXHHSA-N -2 2 232.213 -1.045 50 10 BACALL