smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCC[C@@H](CC(=O)[O-])C(=O)O ZINC000002027042 567844187 /nfs/dbraw/zinc/84/41/87/567844187.db2.gz WSFYPFLCEFLXOZ-LBPRGKRZSA-N -1 2 258.358 3.693 50 30 CHEALM CCCCCCCCCCC(Cl)(C(=O)[O-])C(=O)O ZINC000002573724 567848514 /nfs/dbraw/zinc/84/85/14/567848514.db2.gz UXRMAGVIGKUBFL-UHFFFAOYSA-N -1 2 278.776 3.664 50 30 CHEALM CCCCCCCCCCCCN[P@@](=O)([O-])O ZINC000001603333 567839505 /nfs/dbraw/zinc/83/95/05/567839505.db2.gz QKPVBMJANUPLSV-UHFFFAOYSA-N -1 2 265.334 3.590 50 30 CHEALM CCCCCCCCCCCCN[P@](=O)([O-])O ZINC000001603333 567839507 /nfs/dbraw/zinc/83/95/07/567839507.db2.gz QKPVBMJANUPLSV-UHFFFAOYSA-N -1 2 265.334 3.590 50 30 CHEALM CCCCCCCCCC[C@H](CC(=O)[O-])C(=O)O ZINC000001603111 567839295 /nfs/dbraw/zinc/83/92/95/567839295.db2.gz WSFYPFLCEFLXOZ-GFCCVEGCSA-N -1 2 258.358 3.693 50 30 CHEALM O=[P@@]([O-])(O)OCCCCCCCCCCCS ZINC000044630076 175222498 /nfs/dbraw/zinc/22/24/98/175222498.db2.gz XPYXJSSCWCSOFO-UHFFFAOYSA-N -1 2 284.358 3.536 50 30 CHEALM O=[P@]([O-])(O)OCCCCCCCCCCCS ZINC000044630076 175222499 /nfs/dbraw/zinc/22/24/99/175222499.db2.gz XPYXJSSCWCSOFO-UHFFFAOYSA-N -1 2 284.358 3.536 50 30 CHEALM