smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]([P@@](=O)([O-])O)[P@](=O)([O-])CP(=O)([O-])O ZINC000026497930 563028915 /nfs/dbraw/zinc/02/89/15/563028915.db2.gz HXJDZXIXQILRMM-BCYUYYMPSA-N -3 2 458.365 4.705 1 0 JJAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]([P@](=O)([O-])CP(=O)([O-])O)[P@](=O)([O-])O ZINC000026497930 563028917 /nfs/dbraw/zinc/02/89/17/563028917.db2.gz HXJDZXIXQILRMM-BCYUYYMPSA-N -3 2 458.365 4.705 1 0 JJAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H](P(=O)([O-])O)[P@](=O)([O-])C[P@@](=O)([O-])O ZINC000026497930 563028918 /nfs/dbraw/zinc/02/89/18/563028918.db2.gz HXJDZXIXQILRMM-BCYUYYMPSA-N -3 2 458.365 4.705 1 0 JJAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H](P(=O)([O-])O)[P@](=O)([O-])C[P@](=O)([O-])O ZINC000026497930 563028920 /nfs/dbraw/zinc/02/89/20/563028920.db2.gz HXJDZXIXQILRMM-BCYUYYMPSA-N -3 2 458.365 4.705 1 0 JJAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H]([P@@](=O)([O-])O)[P@](=O)([O-])CP(=O)([O-])O ZINC000026497926 563028997 /nfs/dbraw/zinc/02/89/97/563028997.db2.gz HXJDZXIXQILRMM-UINNIIOQSA-N -3 2 458.365 4.705 1 0 JJAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@H]([P@](=O)([O-])CP(=O)([O-])O)[P@](=O)([O-])O ZINC000026497926 563028998 /nfs/dbraw/zinc/02/89/98/563028998.db2.gz HXJDZXIXQILRMM-UINNIIOQSA-N -3 2 458.365 4.705 1 0 JJAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](P(=O)([O-])O)[P@](=O)([O-])C[P@@](=O)([O-])O ZINC000026497926 563028999 /nfs/dbraw/zinc/02/89/99/563028999.db2.gz HXJDZXIXQILRMM-UINNIIOQSA-N -3 2 458.365 4.705 1 0 JJAFLL CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@H](P(=O)([O-])O)[P@](=O)([O-])C[P@](=O)([O-])O ZINC000026497926 563029000 /nfs/dbraw/zinc/02/90/00/563029000.db2.gz HXJDZXIXQILRMM-UINNIIOQSA-N -3 2 458.365 4.705 1 0 JJAFLL