smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@H+](C)CCN32)C1=O ZINC000016995363 556198945 /nfs/dbraw/zinc/19/89/45/556198945.db2.gz LSCVYZYIZZVVHZ-CTXBLAANSA-N 1 2 481.469 -1.281 50 10 JACALO CN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@@H+](C)CCN32)C1=O ZINC000016995363 556198943 /nfs/dbraw/zinc/19/89/43/556198943.db2.gz LSCVYZYIZZVVHZ-CTXBLAANSA-N 1 2 481.469 -1.281 50 10 JACALO