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@H](C)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000005476788 181248126 /nfs/dbraw/zinc/24/81/26/181248126.db2.gz PNRLPVRXLBDAFX-MAZHCROVSA-N -1 2 303.402 4.030 40 0 DIABLM O=C([O-])c1cccc(NCc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000408603877 257229391 /nfs/dbraw/zinc/22/93/91/257229391.db2.gz DINUVGYZJIAETB-UHFFFAOYSA-N -1 2 312.152 4.009 40 0 DIABLM CC[C@H](C)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000005476792 181247933 /nfs/dbraw/zinc/24/79/33/181247933.db2.gz PNRLPVRXLBDAFX-RCBQFDQVSA-N -1 2 303.402 4.030 40 0 DIABLM