smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CC[NH+](C)CC1 ZINC000303782744 661835727 /nfs/dbraw/zinc/83/57/27/661835727.db2.gz NNUQRAQKEZRFFK-KRWDZBQOSA-N 2 3 354.543 -0.115 20 30 FBEDHP CC(C)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)N1CC[NH+](C)CC1 ZINC000303782746 661835740 /nfs/dbraw/zinc/83/57/40/661835740.db2.gz NNUQRAQKEZRFFK-QGZVFWFLSA-N 2 3 354.543 -0.115 20 30 FBEDHP