smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C)c([C@@H](C)NCc2coc3ccccc23)s1 ZINC000159821196 566837914 /nfs/dbraw/zinc/83/79/14/566837914.db2.gz XDQHDWKQLRLEGO-SNVBAGLBSA-N 0 3 286.400 4.357 50 70 CIIAHN Cc1nc(C)c([C@H](C)NCc2coc3ccccc23)s1 ZINC000159821319 330851892 /nfs/dbraw/zinc/85/18/92/330851892.db2.gz XDQHDWKQLRLEGO-JTQLQIEISA-N 0 3 286.400 4.357 50 70 CIIAHN CC[C@H]1CCCCN1[C@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000217473394 566948472 /nfs/dbraw/zinc/94/84/72/566948472.db2.gz KGJRLCFLZQGIOZ-KGLIPLIRSA-N 0 3 284.403 4.004 50 70 CIIAHN CC[C@@H]1CCCCN1[C@H](C)C(=O)c1c[nH]c2ccccc12 ZINC000217473327 566948516 /nfs/dbraw/zinc/94/85/16/566948516.db2.gz KGJRLCFLZQGIOZ-ZIAGYGMSSA-N 0 3 284.403 4.004 50 70 CIIAHN