smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC(C)(C)Cn1c2ccc(/C=C/C(=O)NO)cc2[nH+]c1C1CCCCC1 ZINC000072114600 211070367 /nfs/dbraw/zinc/07/03/67/211070367.db2.gz GCTHPZHZCFBMIR-ACCUITESSA-N 2 2 398.551 4.190 1 30 GIEFLP CC/C=C\CCc1[nH+]c2cc(/C=C/C(=O)NO)ccc2n1CC(C)(C)C[NH+](C)C ZINC000072120455 222207612 /nfs/dbraw/zinc/20/76/12/222207612.db2.gz NOSXUGQNMJRXTB-SXOVAMJMSA-N 2 2 398.551 4.042 1 30 GIEFLP