smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(CCO[P@@](=O)([O-])O[P@](=O)([O-])O)sc[n+]1Cc1cnc(C)[nH]c1=O ZINC000013520374 560218387 /nfs/dbraw/zinc/21/83/87/560218387.db2.gz FBFAORFKQFQJGN-UHFFFAOYSA-O -1 2 426.304 0.965 10 0 in-vitro ICAELM Cc1c(CCO[P@@](=O)([O-])O[P@@](=O)([O-])O)sc[n+]1Cc1cnc(C)[nH]c1=O ZINC000013520374 560218386 /nfs/dbraw/zinc/21/83/86/560218386.db2.gz FBFAORFKQFQJGN-UHFFFAOYSA-O -1 2 426.304 0.965 10 0 in-vitro ICAELM CCCCSc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000039144563 563098820 /nfs/dbraw/zinc/09/88/20/563098820.db2.gz VFLYSLPYKLFYSL-QYVSTXNMSA-N -1 2 435.399 0.029 10 0 ICAELM CCCCSc1nc2c(ncnc2N)n1[C@@H]1O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]1O ZINC000039144563 563098819 /nfs/dbraw/zinc/09/88/19/563098819.db2.gz VFLYSLPYKLFYSL-QYVSTXNMSA-N -1 2 435.399 0.029 10 0 ICAELM