smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H]1CC[C@H](C)C/C1=N\CCCC(=O)[O-] ZINC000103195628 188323964 /nfs/dbraw/zinc/32/39/64/188323964.db2.gz PJBPJVMCCWFJOT-ZZDFFKCPSA-N -1 1 239.359 3.384 1 30 BGEFMM C=C(C)[C@@H]1CC=C(C)/C(=N/CCCC(=O)[O-])C1 ZINC000103195637 188150299 /nfs/dbraw/zinc/15/02/99/188150299.db2.gz YQLBTWHGPOIMPG-ODHUPUGDSA-N -1 1 235.327 3.225 1 30 BGEFMM CC1=C/C(=N/CCCC(=O)[O-])CC(C)(C)C1 ZINC000103195640 168089920 /nfs/dbraw/zinc/08/99/20/168089920.db2.gz VHHKAMMFHOSQJC-KAMYIIQDSA-N -1 1 223.316 3.059 1 30 BGEFMM