smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(CC[N@H+](Cc2ccncc2)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC000217008079 241231121 /nfs/dbraw/zinc/23/11/21/241231121.db2.gz BBQXBVIJZCMQSA-PMOLBWCYSA-N 2 1 341.886 3.245 50 70 EGIAMP COc1cc(C[N@@H+]2C[C@@H]3[C@@H](C[NH+](C)C)[C@@H]3C2)ccc1OCC=C(C)C ZINC000217030357 241234345 /nfs/dbraw/zinc/23/43/45/241234345.db2.gz BWFYQKYYGZFZMR-LDLYASANSA-N 2 1 344.499 3.280 50 70 EGIAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000217190511 241241163 /nfs/dbraw/zinc/24/11/63/241241163.db2.gz FYBVXLUPYMREOX-PMOLBWCYSA-N 2 1 330.516 3.162 50 70 EGIAMP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000217190511 241241167 /nfs/dbraw/zinc/24/11/67/241241167.db2.gz FYBVXLUPYMREOX-PMOLBWCYSA-N 2 1 330.516 3.162 50 70 EGIAMP