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[C@@H](O)[C@@H](O)CO[P@](=O)([O-])O ZINC000001532600 387014406 /nfs/dbraw/zinc/01/44/06/387014406.db2.gz NGHMDNPXVRFFGS-DMTCNVIQSA-N -1 2 200.083 -1.984 10 30 BAEELM O=C[C@@H](O)[C@@H](O)CO[P@@](=O)([O-])O ZINC000001532600 387014402 /nfs/dbraw/zinc/01/44/02/387014402.db2.gz NGHMDNPXVRFFGS-DMTCNVIQSA-N -1 2 200.083 -1.984 10 30 BAEELM O=C(NO)[C@H](O)[C@H](O)CO[P@](=O)([O-])O ZINC000005830339 182280198 /nfs/dbraw/zinc/28/01/98/182280198.db2.gz JJQQOJRGUHNREK-PWNYCUMCSA-N -1 2 231.097 -2.677 10 30 in-vivo BAEELM O=C(NO)[C@H](O)[C@H](O)CO[P@@](=O)([O-])O ZINC000005830339 182280196 /nfs/dbraw/zinc/28/01/96/182280196.db2.gz JJQQOJRGUHNREK-PWNYCUMCSA-N -1 2 231.097 -2.677 10 30 in-vivo BAEELM [NH2+]=C(NN=CC(=O)[O-])NN=CC(=O)[O-] ZINC000043504370 181197383 /nfs/dbraw/zinc/19/73/83/181197383.db2.gz FCVOGRAYQKLESX-FACPPWRESA-N -1 2 201.142 -1.759 10 30 BAEELM C#CCNC(=O)[C@@H](C)[NH+](CC(=O)[O-])CC(=O)[O-] ZINC000104328956 188052344 /nfs/dbraw/zinc/05/23/44/188052344.db2.gz VFKLQRUXHCHEPT-SSDOTTSWSA-N -1 2 242.231 -1.405 10 30 BAEELM C#CCON1C(=O)[N-]C(=O)C(F)C1=O ZINC000306735677 350904792 /nfs/dbraw/zinc/90/47/92/350904792.db2.gz WLKZTPFCRIHRIK-BYPYZUCNSA-N -1 2 200.125 -1.032 10 30 BAEELM C#CCON1C(=O)[N-]C(=O)C(F)C1=O ZINC000306735678 350904719 /nfs/dbraw/zinc/90/47/19/350904719.db2.gz WLKZTPFCRIHRIK-SCSAIBSYSA-N -1 2 200.125 -1.032 10 30 BAEELM