smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])(O)C(/C(=C/c1ccccc1Cl)c1nc2ccccc2s1)[P@](=O)([O-])O ZINC000040429382 563103152 /nfs/dbraw/zinc/10/31/52/563103152.db2.gz KABLLCZZSYRVES-PKNBQFBNSA-N -2 2 445.757 4.172 1 0 IIAFLL O=P([O-])(O)C(/C(=C/c1ccccc1Cl)c1nc2ccccc2s1)[P@@](=O)([O-])O ZINC000040429382 563103153 /nfs/dbraw/zinc/10/31/53/563103153.db2.gz KABLLCZZSYRVES-PKNBQFBNSA-N -2 2 445.757 4.172 1 0 IIAFLL O=P([O-])(O)C(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[P@](=O)([O-])O ZINC000040863166 563108446 /nfs/dbraw/zinc/10/84/46/563108446.db2.gz UPZLJSDZIBONGH-UHFFFAOYSA-N -2 2 438.275 4.377 1 0 in-vitro IIAFLL O=P([O-])(O)C(CCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[P@@](=O)([O-])O ZINC000040863166 563108447 /nfs/dbraw/zinc/10/84/47/563108447.db2.gz UPZLJSDZIBONGH-UHFFFAOYSA-N -2 2 438.275 4.377 1 0 in-vitro IIAFLL O=P([O-])(O)C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2s1)[P@](=O)([O-])O ZINC000040956742 563114764 /nfs/dbraw/zinc/11/47/64/563114764.db2.gz ZFTHOMJGMCEPBY-FMIVXFBMSA-N -2 2 445.757 4.172 1 0 IIAFLL O=P([O-])(O)C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2s1)[P@@](=O)([O-])O ZINC000040956742 563114765 /nfs/dbraw/zinc/11/47/65/563114765.db2.gz ZFTHOMJGMCEPBY-FMIVXFBMSA-N -2 2 445.757 4.172 1 0 IIAFLL