smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1ccc(F)c(Cl)c1)N(CC(=O)[O-])CC(=O)[O-] ZINC000086774201 179326515 /nfs/dbraw/zinc/32/65/15/179326515.db2.gz ZLHQLNAOPTXBNR-ZETCQYMHSA-N -2 2 289.690 2.011 10 0 CEAELL C[C@@H](c1ccc(F)cc1Cl)N(CC(=O)[O-])CC(=O)[O-] ZINC000086774232 179326670 /nfs/dbraw/zinc/32/66/70/179326670.db2.gz FSXVSRISRNNAHN-ZETCQYMHSA-N -2 2 289.690 2.011 10 0 CEAELL C[C@H](c1ccc(F)cc1Cl)N(CC(=O)[O-])CC(=O)[O-] ZINC000086774233 179326576 /nfs/dbraw/zinc/32/65/76/179326576.db2.gz FSXVSRISRNNAHN-SSDOTTSWSA-N -2 2 289.690 2.011 10 0 CEAELL C[C@H](c1ccc(F)c(Cl)c1)N(CC(=O)[O-])CC(=O)[O-] ZINC000086774202 179326910 /nfs/dbraw/zinc/32/69/10/179326910.db2.gz ZLHQLNAOPTXBNR-SSDOTTSWSA-N -2 2 289.690 2.011 10 0 CEAELL O=P([O-])(O)CCCCCCCCC[P@](=O)([O-])O ZINC000079165577 343975284 /nfs/dbraw/zinc/97/52/84/343975284.db2.gz BVRLBCWGGYBTQO-UHFFFAOYSA-N -2 2 288.217 2.073 10 0 CEAELL O=P([O-])(O)CCCCCCCCC[P@@](=O)([O-])O ZINC000079165577 343975288 /nfs/dbraw/zinc/97/52/88/343975288.db2.gz BVRLBCWGGYBTQO-UHFFFAOYSA-N -2 2 288.217 2.073 10 0 CEAELL