smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)c2ccccc2)[nH]1 ZINC000185324516 1101700396 /nfs/dbraw/zinc/70/03/96/1101700396.db2.gz ADICLLDKOOMVET-VBKZILBWSA-N 1 2 358.445 4.412 10 10 FICELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2O)c2ccccc2)[nH]1 ZINC000185324532 1101700124 /nfs/dbraw/zinc/70/01/24/1101700124.db2.gz ADICLLDKOOMVET-XOBRGWDASA-N 1 2 358.445 4.412 10 10 FICELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)c2ccccc2)[nH]1 ZINC000185324549 1101700816 /nfs/dbraw/zinc/70/08/16/1101700816.db2.gz ADICLLDKOOMVET-JLTOFOAXSA-N 1 2 358.445 4.412 10 10 FICELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2O)c2ccccc2)[nH]1 ZINC000185324566 1101700272 /nfs/dbraw/zinc/70/02/72/1101700272.db2.gz ADICLLDKOOMVET-VLIAUNLRSA-N 1 2 358.445 4.412 10 10 FICELO