smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=P([O-])(O)C(Nc1ccc(Cc2ccccc2)cc1)[P@](=O)([O-])O ZINC000013673771 539589142 /nfs/dbraw/zinc/58/91/42/539589142.db2.gz UUWAWXLKQDUPIO-UHFFFAOYSA-N -2 2 357.239 2.328 10 0 FEAELL O=P([O-])(O)C(Nc1ccc(Cc2ccccc2)cc1)[P@@](=O)([O-])O ZINC000013673771 539589147 /nfs/dbraw/zinc/58/91/47/539589147.db2.gz UUWAWXLKQDUPIO-UHFFFAOYSA-N -2 2 357.239 2.328 10 0 FEAELL O=P([O-])(O)C(O)(Cc1cccc(Oc2ccccc2)c1)[P@@](=O)([O-])O ZINC000013673821 220083447 /nfs/dbraw/zinc/08/34/47/220083447.db2.gz XDTLXGCBLPCGID-UHFFFAOYSA-N -2 2 374.222 2.023 10 0 FEAELL O=P([O-])(O)C(O)(Cc1cccc(Oc2ccccc2)c1)[P@](=O)([O-])O ZINC000013673821 220083449 /nfs/dbraw/zinc/08/34/49/220083449.db2.gz XDTLXGCBLPCGID-UHFFFAOYSA-N -2 2 374.222 2.023 10 0 FEAELL O=P([O-])(O)C(CNc1cccc(-c2ccccc2)c1)[P@](=O)([O-])O ZINC000013673775 220083509 /nfs/dbraw/zinc/08/35/09/220083509.db2.gz ZZAHNSHQUCHSBD-UHFFFAOYSA-N -2 2 357.239 2.447 10 0 FEAELL O=P([O-])(O)C(CNc1cccc(-c2ccccc2)c1)[P@@](=O)([O-])O ZINC000013673775 220083514 /nfs/dbraw/zinc/08/35/14/220083514.db2.gz ZZAHNSHQUCHSBD-UHFFFAOYSA-N -2 2 357.239 2.447 10 0 FEAELL O=P([O-])(O)C(CNc1ccc(-c2ccccc2)cc1)[P@](=O)([O-])O ZINC000013673814 539589790 /nfs/dbraw/zinc/58/97/90/539589790.db2.gz IVYDRBXYBXGECK-UHFFFAOYSA-N -2 2 357.239 2.447 10 0 FEAELL O=P([O-])(O)C(CNc1ccc(-c2ccccc2)cc1)[P@@](=O)([O-])O ZINC000013673814 539589796 /nfs/dbraw/zinc/58/97/96/539589796.db2.gz IVYDRBXYBXGECK-UHFFFAOYSA-N -2 2 357.239 2.447 10 0 FEAELL O=P([O-])(O)C(Nc1cccc(Cc2ccccc2)c1)[P@](=O)([O-])O ZINC000013643242 539589696 /nfs/dbraw/zinc/58/96/96/539589696.db2.gz YHULOHQSMAHDCH-UHFFFAOYSA-N -2 2 357.239 2.328 10 0 FEAELL O=P([O-])(O)C(Nc1cccc(Cc2ccccc2)c1)[P@@](=O)([O-])O ZINC000013643242 539589699 /nfs/dbraw/zinc/58/96/99/539589699.db2.gz YHULOHQSMAHDCH-UHFFFAOYSA-N -2 2 357.239 2.328 10 0 FEAELL