smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C(Cc1ccc(O)cc1)=C(C(=O)[O-])C(=O)c1ccc([O-])cc1 ZINC000013385275 201056477 /nfs/dbraw/zinc/05/64/77/201056477.db2.gz TUOXWFIJOOGTSU-AAWPKVBNSA-N -3 1 342.303 2.150 1 0 EEAFML O=C([O-])[C@H](Cc1cccc(-c2ccccc2)c1)NC[P@@](=O)([O-])O ZINC000029307612 202184200 /nfs/dbraw/zinc/18/42/00/202184200.db2.gz PNYOBMQZMAVTGO-HNNXBMFYSA-N -2 1 335.296 2.074 1 0 EEAFML O=[P@]([O-])(O)C[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1 ZINC000026002131 202138223 /nfs/dbraw/zinc/13/82/23/202138223.db2.gz ZMEJOIYGSSKOQA-HNNXBMFYSA-N -2 1 344.311 2.371 1 0 EEAFML O=C([O-])C1N=C(c2cccc(OCc3ccccc3)c2)[N-]C(=O)C1=O ZINC000003583604 210058224 /nfs/dbraw/zinc/05/82/24/210058224.db2.gz IHENRRNKCCTTGR-UHFFFAOYSA-N -2 1 338.319 2.420 1 0 EEAFML O=c1c2c(c(O)c3oc4c(c([O-])c1-3)OCc1cccc([O-])c1-4)OCO2 ZINC000014639742 560223479 /nfs/dbraw/zinc/22/34/79/560223479.db2.gz VSKVHHCOZSAZBL-UHFFFAOYSA-N -2 1 342.259 2.198 1 0 biogenic,in-vitro EEAFML C[C@@H]1CC=C(Nc2cccc(C(=O)[O-])c2)c2ncc(C(=O)[O-])c(=O)n21 ZINC000102190614 219190711 /nfs/dbraw/zinc/19/07/11/219190711.db2.gz QACYXFPYIFQHHS-SECBINFHSA-N -2 1 341.323 2.057 1 0 EEAFML O=[P@]([O-])(O)C[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[n-]1 ZINC000026002124 202137718 /nfs/dbraw/zinc/13/77/18/202137718.db2.gz ZMEJOIYGSSKOQA-OAHLLOKOSA-N -2 1 344.311 2.371 1 0 EEAFML C[C@H]1CC=C(Nc2cccc(C(=O)[O-])c2)c2ncc(C(=O)[O-])c(=O)n21 ZINC000102190616 204034404 /nfs/dbraw/zinc/03/44/04/204034404.db2.gz QACYXFPYIFQHHS-VIFPVBQESA-N -2 1 341.323 2.057 1 0 EEAFML