smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1cccc2nc3c4ccccc4c4ccccc4c3nc12 ZINC000004619448 566986096 /nfs/dbraw/zinc/98/60/96/566986096.db2.gz XKRVCCJBSUHZRA-UHFFFAOYSA-N -1 1 296.329 4.795 50 10 CJCAMM O=C([O-])c1ccccc1N=Nc1c(O)ccc2ccccc21 ZINC000005065828 170062924 /nfs/dbraw/zinc/06/29/24/170062924.db2.gz OMRMWDQPXBZWGS-VHEBQXMUSA-N -1 1 292.294 4.659 50 10 CJCAMM O=C1C=CC(=NNc2cc(Cl)ccc2Cl)C([O-])=C1 ZINC000017157714 566913802 /nfs/dbraw/zinc/91/38/02/566913802.db2.gz GKASMNGSPFYERF-FOCLMDBBSA-N -1 1 283.114 4.820 50 10 CJCAMM