smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[C@@H](N)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1 ZINC000064549839 717132726 /nfs/dbraw/zinc/13/27/26/717132726.db2.gz MQTSDTBUYMEDMS-HXUWFJFHSA-N 1 3 364.554 3.341 1 5 FGBFHO C[NH2+]Cc1ccc(NCCCN(C)C)c2c(=O)c3ccccc3sc12 ZINC000100892199 222256422 /nfs/dbraw/zinc/25/64/22/222256422.db2.gz RLXCERKSRBNFAR-UHFFFAOYSA-N 1 3 355.507 3.498 1 5 FGBFHO CCCCCC[C@H](N)C(=O)N(CCC[N+](C)(C)C)OCc1ccccc1 ZINC000064549838 717132401 /nfs/dbraw/zinc/13/24/01/717132401.db2.gz MQTSDTBUYMEDMS-FQEVSTJZSA-N 1 3 364.554 3.341 1 5 FGBFHO