smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@@H](c2ccco2)CC(=O)O4)cc1O ZINC000217787041 569050829 /nfs/dbraw/zinc/05/08/29/569050829.db2.gz HJCGXQIVMSHGHN-GFCCVEGCSA-N 0 2 420.373 3.914 50 70 biogenic HHIALN O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@H](c2cccnc2)CC(=O)O1 ZINC000217775252 568911453 /nfs/dbraw/zinc/91/14/53/568911453.db2.gz GKWWLJDLKXSZOK-HNNXBMFYSA-N 0 2 401.374 3.707 50 70 biogenic HHIALN O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@@H](c2cccnc2)CC(=O)O1 ZINC000217775349 568911407 /nfs/dbraw/zinc/91/14/07/568911407.db2.gz GKWWLJDLKXSZOK-OAHLLOKOSA-N 0 2 401.374 3.707 50 70 biogenic HHIALN COc1ccc(-c2cc(=O)c3c(O)cc4c(c3o2)[C@H](c2ccco2)CC(=O)O4)cc1O ZINC000217787136 568912171 /nfs/dbraw/zinc/91/21/71/568912171.db2.gz HJCGXQIVMSHGHN-LBPRGKRZSA-N 0 2 420.373 3.914 50 70 biogenic HHIALN O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@@H](c2ccncc2)CC(=O)O1 ZINC000217792656 568912905 /nfs/dbraw/zinc/91/29/05/568912905.db2.gz MOZOYUICOMWHHK-OAHLLOKOSA-N 0 2 401.374 3.707 50 70 biogenic HHIALN O=c1cc(-c2ccc(O)cc2)oc2c1c(O)cc1c2[C@H](c2ccncc2)CC(=O)O1 ZINC000217792565 568912831 /nfs/dbraw/zinc/91/28/31/568912831.db2.gz MOZOYUICOMWHHK-HNNXBMFYSA-N 0 2 401.374 3.707 50 70 biogenic HHIALN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(O)c(Cl)c1 ZINC000218127266 568926392 /nfs/dbraw/zinc/92/63/92/568926392.db2.gz FTYASYULJIYTGA-LLVKDONJSA-N 0 2 414.797 3.810 50 70 biogenic HHIALN CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(O)c(Cl)c1 ZINC000218127188 568926276 /nfs/dbraw/zinc/92/62/76/568926276.db2.gz FTYASYULJIYTGA-NSHDSACASA-N 0 2 414.797 3.810 50 70 biogenic HHIALN