smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@+]12CCCC[C@@H]1[C@H](COC(=O)[C@@H]1CCCC[NH2+]1)CCC2 ZINC000254402445 344645460 /nfs/dbraw/zinc/64/54/60/344645460.db2.gz CRMPVJQUGUGVNN-YIOZNXECSA-N 2 2 295.447 2.081 40 5 CEBBLP C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)[C@@H]1CCCC[NH2+]1)CCC2 ZINC000254402451 344645397 /nfs/dbraw/zinc/64/53/97/344645397.db2.gz CRMPVJQUGUGVNN-YYAJDYIMSA-N 2 2 295.447 2.081 40 5 CEBBLP C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)[C@H]1CCCC[NH2+]1)CCC2 ZINC000254402448 344645423 /nfs/dbraw/zinc/64/54/23/344645423.db2.gz CRMPVJQUGUGVNN-YKTARERQSA-N 2 2 295.447 2.081 40 5 CEBBLP C[N@+]12CCCC[C@@H]1[C@H](COC(=O)[C@H]1CCCC[NH2+]1)CCC2 ZINC000254402441 344645464 /nfs/dbraw/zinc/64/54/64/344645464.db2.gz CRMPVJQUGUGVNN-WFXMFSGNSA-N 2 2 295.447 2.081 40 5 CEBBLP