smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C/[NH+]=C(/C)CC(=O)CC(C)C 2048099 166113479 /nfs/dbraw/zinc/11/34/79/166113479.db2.gz FJGRAIMAAZJTOD-QBFSEMIESA-N 1 1 195.306 3.029 40 30 AGEBMO C=C(C)C/[NH+]=C(\C)CC(=O)CC(C)C 104359706 166114590 /nfs/dbraw/zinc/11/45/90/166114590.db2.gz FJGRAIMAAZJTOD-ACCUITESSA-N 1 1 195.306 3.029 40 30 AGEBMO C=C[C@H]1CCC=C2CCCC[C@@H]1[N@@H+]2C 104277621 166221147 /nfs/dbraw/zinc/22/11/47/166221147.db2.gz DRBGFVJMOQCZNC-AAEUAGOBSA-N 1 1 191.318 3.341 40 30 AGEBMO