smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCC(=O)C=C(O)c1c(O)cccc1O ZINC000073335997 216378956 /nfs/dbraw/zinc/37/89/56/216378956.db2.gz PWBKIAXJCHFEJA-UHFFFAOYSA-N 0 2 334.456 5.161 1 30 EKEFLN CCCCCCCC(=O)C=C(O)c1ccc2cc(O)c(OC)cc2c1 ZINC000085630832 291016282 /nfs/dbraw/zinc/01/62/82/291016282.db2.gz NLJAONRFPNLAJD-UHFFFAOYSA-N 0 2 342.435 5.056 1 30 biogenic,in-vitro EKEFLN CC1=C(O)[C@@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)SC1=O ZINC000101123798 219117342 /nfs/dbraw/zinc/11/73/42/219117342.db2.gz BYTCNDXHSJPLDO-LJQANCHMSA-N 0 2 346.398 5.038 1 30 EKEFLN CC1=C(O)[C@](C)(Cc2ccc(-c3cc(F)cc(F)c3)cc2)SC1=O ZINC000101123800 219117016 /nfs/dbraw/zinc/11/70/16/219117016.db2.gz BYTCNDXHSJPLDO-IBGZPJMESA-N 0 2 346.398 5.038 1 30 EKEFLN CC1=C(O)[C@@](C)(Cc2ccc(-c3ccc(F)c(F)c3)cc2)SC1=O ZINC000101146124 219117559 /nfs/dbraw/zinc/11/75/59/219117559.db2.gz OZRBMMHLXMZGKX-LJQANCHMSA-N 0 2 346.398 5.038 1 30 EKEFLN CC1=C(O)[C@](C)(Cc2ccc(-c3ccc(F)c(F)c3)cc2)SC1=O ZINC000101146128 219117792 /nfs/dbraw/zinc/11/77/92/219117792.db2.gz OZRBMMHLXMZGKX-IBGZPJMESA-N 0 2 346.398 5.038 1 30 EKEFLN