smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCc1cc(=O)c([O-])c([C@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cc3c(c(OC)c2)OCO3)o1 ZINC000217628561 571602122 /nfs/dbraw/zinc/60/21/22/571602122.db2.gz SZKGMSHWFCXSIS-HXUWFJFHSA-N -1 3 532.549 3.817 50 70 KHIAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)N2CCc3c4ccccc4[nH]c3C2)c2cc3c(c(OC)c2)OCO3)o1 ZINC000217628646 571602140 /nfs/dbraw/zinc/60/21/40/571602140.db2.gz SZKGMSHWFCXSIS-FQEVSTJZSA-N -1 3 532.549 3.817 50 70 KHIAHM