smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000218378545 557196304 /nfs/dbraw/zinc/19/63/04/557196304.db2.gz DRPSCVHHBIGXSV-MSOLQXFVSA-N 0 3 446.548 1.547 50 70 IDIAHN CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000218213910 557182497 /nfs/dbraw/zinc/18/24/97/557182497.db2.gz REEHNPYPCPJVNR-SJORKVTESA-N 0 3 432.521 1.505 50 70 IDIAHN CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000218213988 557182512 /nfs/dbraw/zinc/18/25/12/557182512.db2.gz REEHNPYPCPJVNR-IRXDYDNUSA-N 0 3 432.521 1.505 50 70 IDIAHN CCN1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000218278808 557187279 /nfs/dbraw/zinc/18/72/79/557187279.db2.gz RUALSOWGHQKWFF-IRXDYDNUSA-N 0 3 432.521 1.157 50 70 IDIAHN CCN1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000218278751 557187213 /nfs/dbraw/zinc/18/72/13/557187213.db2.gz RUALSOWGHQKWFF-SJORKVTESA-N 0 3 432.521 1.157 50 70 IDIAHN CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000218378634 557196239 /nfs/dbraw/zinc/19/62/39/557196239.db2.gz DRPSCVHHBIGXSV-ROUUACIJSA-N 0 3 446.548 1.547 50 70 IDIAHN