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)(O)CCc1c(O)c([O-])cc2oc3cc4c(c(=O)c-3c([O-])c21)CCC(C)(C)O4 ZINC000096023883 559089712 /nfs/dbraw/zinc/08/97/12/559089712.db2.gz ODPJZFJTDFGSOM-UHFFFAOYSA-N -2 3 414.454 3.870 10 10 HHCEHL Cn1c2ccccc2c2cc([C@H]3OC(=O)c4cc(O)c([O-])cc4[C@@H]3C(=O)[O-])ccc21 ZINC000033414029 558768455 /nfs/dbraw/zinc/76/84/55/558768455.db2.gz BMQGIOVIHGHZFT-LEWJYISDSA-N -2 3 403.390 3.823 10 10 HHCEHL Cn1c2ccccc2c2cc([C@H]3OC(=O)c4cc([O-])c(O)cc4[C@@H]3C(=O)[O-])ccc21 ZINC000033414029 558768457 /nfs/dbraw/zinc/76/84/57/558768457.db2.gz BMQGIOVIHGHZFT-LEWJYISDSA-N -2 3 403.390 3.823 10 10 HHCEHL