smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C2=Nc3cc(OS(=O)(=O)C(F)(F)F)ccc3Nc3ccccc32)CC1 ZINC000036238019 563092307 /nfs/dbraw/zinc/09/23/07/563092307.db2.gz RDPIPNDQCUEYHW-UHFFFAOYSA-N 0 0 440.447 3.298 1 70 IGIFRN CCCn1c(=O)c2nc(C3CCCCC3)[nH]c2n(Cc2ccc(S(=O)(=O)F)cc2)c1=O ZINC000036123982 563091060 /nfs/dbraw/zinc/09/10/60/563091060.db2.gz WAKCZXOWEGJALQ-UHFFFAOYSA-N 0 0 448.520 3.051 1 70 IGIFRN