smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000160224095 495913149 /nfs/dbraw/zinc/91/31/49/495913149.db2.gz JOJUHOHFECDMAN-QUCCMNQESA-N 1 3 364.578 3.013 10 70 FGIEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159641892 495777412 /nfs/dbraw/zinc/77/74/12/495777412.db2.gz OGKGFGXQVFCOAQ-FQEVSTJZSA-N 1 3 366.594 3.260 10 70 FGIEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000159642011 495777458 /nfs/dbraw/zinc/77/74/58/495777458.db2.gz OGKGFGXQVFCOAQ-HXUWFJFHSA-N 1 3 366.594 3.260 10 70 FGIEHO CC(C)N1C[C@H](NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[C@@H](C)C1 ZINC000160224225 495913118 /nfs/dbraw/zinc/91/31/18/495913118.db2.gz JOJUHOHFECDMAN-ICSRJNTNSA-N 1 3 364.578 3.013 10 70 FGIEHO