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=[NH+]/C(C)(C)C)[P+](C)(C(C)C)C(C)C ZINC000020840915 171275596 /nfs/dbraw/zinc/27/55/96/171275596.db2.gz XAGVEKQZPZUCHZ-LUYJPIOASA-N 2 1 258.410 5.099 50 30 CKEAMP CC[C@H](/C=[NH+]/C(C)(C)C)[P+](C)(C(C)C)C(C)C ZINC000020840918 171275698 /nfs/dbraw/zinc/27/56/98/171275698.db2.gz XAGVEKQZPZUCHZ-DSQDWWTGSA-N 2 1 258.410 5.099 50 30 CKEAMP CCCCCCCCCCCCCCCC[NH2+]CC[NH3+] ZINC000101172765 567914711 /nfs/dbraw/zinc/91/47/11/567914711.db2.gz SLEYAGWXAGXUAS-UHFFFAOYSA-N 2 1 284.532 5.016 50 30 CKEAMP