smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@H](C(=O)Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1)C1CC[NH2+]CC1 ZINC001218643949 1059766292 /nfs/dbraw/zinc/76/62/92/1059766292.db2.gz QSCPDAXDMSVEKC-NRFANRHFSA-N 1 3 500.003 2.676 20 0 KFADHO N[C@@H](C(=O)Nc1ncnc2c1c(COc1cccc(Cl)c1)nn2C1CCOCC1)C1CC[NH2+]CC1 ZINC001218643950 1059767116 /nfs/dbraw/zinc/76/71/16/1059767116.db2.gz QSCPDAXDMSVEKC-OAQYLSRUSA-N 1 3 500.003 2.676 20 0 KFADHO