smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C(N[C@H]2CCCC[C@@H]2[NH2+]CCN[C@H]2CCCC[C@H]2[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937733 562849120 /nfs/dbraw/zinc/84/91/20/562849120.db2.gz INMAEUFTSXWEFD-YUZLDYPQSA-N 2 1 739.064 9.951 1 70 KKIFMP c1ccc(C(N[C@@H]2CCCC[C@@H]2[NH2+]CCN[C@@H]2CCCC[C@H]2[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000160937978 562849096 /nfs/dbraw/zinc/84/90/96/562849096.db2.gz INMAEUFTSXWEFD-UXRWXGLSSA-N 2 1 739.064 9.951 1 70 KKIFMP