smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCCC[C@H](O)CC(=O)N[C@@H](O)C(=O)NCCCCNCCC[NH3+] ZINC000005518737 560202346 /nfs/dbraw/zinc/20/23/46/560202346.db2.gz GDVNLLJNADMLLR-BBRMVZONSA-N 2 3 403.528 -2.340 10 0 in-vitro HAAEHP NCCC[NH2+]CCCCNC(=O)[C@H](O)NC(=O)C[C@@H](O)CCCCNC(N)=[NH2+] ZINC000005518737 560202344 /nfs/dbraw/zinc/20/23/44/560202344.db2.gz GDVNLLJNADMLLR-BBRMVZONSA-N 2 3 403.528 -2.340 10 0 in-vitro HAAEHP