smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(CNC(=O)C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193625970 416318756 /nfs/dbraw/zinc/31/87/56/416318756.db2.gz CYMSOPPQNNPIGJ-IYBDPMFKSA-N 2 2 316.449 0.862 10 10 DCCELP CN(C)c1ccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1 ZINC000193625970 416318758 /nfs/dbraw/zinc/31/87/58/416318758.db2.gz CYMSOPPQNNPIGJ-IYBDPMFKSA-N 2 2 316.449 0.862 10 10 DCCELP CN(C)c1ccc(CNC(=O)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000193625970 416318761 /nfs/dbraw/zinc/31/87/61/416318761.db2.gz CYMSOPPQNNPIGJ-IYBDPMFKSA-N 2 2 316.449 0.862 10 10 DCCELP CN(C)c1ccc(CNC(=O)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000193625970 416318762 /nfs/dbraw/zinc/31/87/62/416318762.db2.gz CYMSOPPQNNPIGJ-IYBDPMFKSA-N 2 2 316.449 0.862 10 10 DCCELP