smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc(I)c1[O-] ZINC000009028302 556241685 /nfs/dbraw/zinc/24/16/85/556241685.db2.gz OCICAXZUBLGCBB-LMLWXCFOSA-N -1 3 438.221 2.146 10 30 IEEEHM COc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc(I)c1[O-] ZINC000009028304 556241625 /nfs/dbraw/zinc/24/16/25/556241625.db2.gz OCICAXZUBLGCBB-UTDFZYAKSA-N -1 3 438.221 2.146 10 30 IEEEHM COc1ccccc1CNC(=O)CSc1nnc([N-][NH+]=Cc2cccc(OC)c2O)[n-]1 ZINC000020274863 557005453 /nfs/dbraw/zinc/00/54/53/557005453.db2.gz CMLNENLKFDVLES-SSDVNMTOSA-N -1 3 442.501 2.382 10 30 IEEEHM