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)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000218123868 568475200 /nfs/dbraw/zinc/47/52/00/568475200.db2.gz BFTNKUBUTTYVDD-LPHOPBHVSA-N 0 3 411.506 1.621 50 70 HDIAHN CCN1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000218226895 568476594 /nfs/dbraw/zinc/47/65/94/568476594.db2.gz NKWRFWXZSZUDIA-CVEARBPZSA-N 0 3 418.494 1.115 50 70 HDIAHN CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000218360399 568479214 /nfs/dbraw/zinc/47/92/14/568479214.db2.gz QRXZFZFPYQXLRG-WMZOPIPTSA-N 0 3 402.495 1.496 50 70 HDIAHN CCN1CCC[C@H]1CNC(=O)C[C@@H]1NC(=O)N(Cc2ccc(OC)c(OC)c2)C1=O ZINC000218226974 568476626 /nfs/dbraw/zinc/47/66/26/568476626.db2.gz NKWRFWXZSZUDIA-HOTGVXAUSA-N 0 3 418.494 1.115 50 70 HDIAHN CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000218347222 568478830 /nfs/dbraw/zinc/47/88/30/568478830.db2.gz XQZGFVDQBHBXOC-CVEARBPZSA-N 0 3 416.478 1.216 50 70 HDIAHN CCN1CCC[C@@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc(OC)cc2)C1=O ZINC000218360310 568479204 /nfs/dbraw/zinc/47/92/04/568479204.db2.gz QRXZFZFPYQXLRG-AEFFLSMTSA-N 0 3 402.495 1.496 50 70 HDIAHN CCN1CCC[C@@H]1CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O ZINC000218123787 568475290 /nfs/dbraw/zinc/47/52/90/568475290.db2.gz BFTNKUBUTTYVDD-APWZRJJASA-N 0 3 411.506 1.621 50 70 HDIAHN CCN1CCC[C@H]1CNC(=O)CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O ZINC000218347308 568478982 /nfs/dbraw/zinc/47/89/82/568478982.db2.gz XQZGFVDQBHBXOC-HOTGVXAUSA-N 0 3 416.478 1.216 50 70 HDIAHN