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)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-] ZINC000218362641 568929969 /nfs/dbraw/zinc/92/99/69/568929969.db2.gz WNYHFXITVZDPAZ-AWEZNQCLSA-N -1 3 409.385 2.151 50 70 HEIAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCn1nc(-c2ccncc2)cc1C ZINC000217871568 568916842 /nfs/dbraw/zinc/91/68/42/568916842.db2.gz BILABCRJTDTDPP-UHFFFAOYSA-N -1 3 406.489 2.080 50 70 HEIAHM COC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1[O-] ZINC000218362564 568929945 /nfs/dbraw/zinc/92/99/45/568929945.db2.gz WNYHFXITVZDPAZ-CQSZACIVSA-N -1 3 409.385 2.151 50 70 HEIAHM