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-])CSc1ccc(NS(=O)(=O)c2cccs2)c2ccccc12 ZINC000084669855 205398092 /nfs/dbraw/zinc/39/80/92/205398092.db2.gz YHFFQGNJFRJYSR-UHFFFAOYSA-N -1 2 379.484 3.879 1 0 GHAFLM Nc1cccc2c1nc(-c1ccc([P@@](=O)([O-])O)o1)n2CC1CCCCCC1 ZINC000045258222 205094607 /nfs/dbraw/zinc/09/46/07/205094607.db2.gz OHBBLPCMDGOLMN-UHFFFAOYSA-N -1 2 389.392 3.652 1 0 GHAFLM Nc1cccc2c1nc(-c1ccc([P@](=O)([O-])O)o1)n2CC1CCCCCC1 ZINC000045258222 205094610 /nfs/dbraw/zinc/09/46/10/205094610.db2.gz OHBBLPCMDGOLMN-UHFFFAOYSA-N -1 2 389.392 3.652 1 0 GHAFLM Cc1cccc(C[C@H](CO[P@@](=O)([O-])O)NC(=O)c2ccc3ccccc3c2)c1 ZINC000006716411 204194609 /nfs/dbraw/zinc/19/46/09/204194609.db2.gz CPOXAOVAIWHBEU-HXUWFJFHSA-N -1 2 399.383 3.599 1 0 GHAFLM Cc1cccc(C[C@H](CO[P@](=O)([O-])O)NC(=O)c2ccc3ccccc3c2)c1 ZINC000006716411 204194611 /nfs/dbraw/zinc/19/46/11/204194611.db2.gz CPOXAOVAIWHBEU-HXUWFJFHSA-N -1 2 399.383 3.599 1 0 GHAFLM CC(C)(C)c1ccc(-c2sc(N)nc2-c2ccc([P@@](=O)([O-])O)o2)cc1 ZINC000066112054 211002667 /nfs/dbraw/zinc/00/26/67/211002667.db2.gz FXIVTBCZZKPVNI-UHFFFAOYSA-N -1 2 378.390 3.753 1 0 GHAFLM CC(C)(C)c1ccc(-c2sc(N)nc2-c2ccc([P@](=O)([O-])O)o2)cc1 ZINC000066112054 211002671 /nfs/dbraw/zinc/00/26/71/211002671.db2.gz FXIVTBCZZKPVNI-UHFFFAOYSA-N -1 2 378.390 3.753 1 0 GHAFLM