smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNCC1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O ZINC000040845148 205083207 /nfs/dbraw/zinc/08/32/07/205083207.db2.gz LXIRROSSXMWVCX-KBAYOESNSA-N 0 3 360.366 -0.466 1 30 FBEFHN NCCN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040954183 208276750 /nfs/dbraw/zinc/27/67/50/208276750.db2.gz UMTXGLCHVFMEFD-KRWDZBQOSA-N 0 3 357.391 -0.278 1 30 FBEFHN NCCN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O ZINC000040954185 208275998 /nfs/dbraw/zinc/27/59/98/208275998.db2.gz UMTXGLCHVFMEFD-QGZVFWFLSA-N 0 3 357.391 -0.278 1 30 FBEFHN