smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1nc(N=NCc2cc(Br)c([O-])c(Br)c2[O-])nc(N2CCOCC2)n1	ZINC000016248175	553557699	/nfs/dbraw/zinc/55/76/99/553557699.db2.gz	NPDYVTMASXOJQV-CNHKJKLMSA-N	-2	3	504.139	2.099	50	30		KEEAHL
COc1nc(N=NCc2cc(Br)c([O-])c(Br)c2[O-])nc(N2CCOCC2)n1	ZINC000027500055	553826391	/nfs/dbraw/zinc/82/63/91/553826391.db2.gz	NPDYVTMASXOJQV-WSVATBPTSA-N	-2	3	504.139	2.099	50	30		KEEAHL
CC(=O)OC[C@H]1O[C@@H](OC2=C(C)C(=O)c3c([O-])c(Cl)c(Cl)c([O-])c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000085867072	553687364	/nfs/dbraw/zinc/68/73/64/553687364.db2.gz	KDAKZYMFENBLJN-KTVRTFKKSA-N	-2	3	619.359	2.157	50	30	biogenic	KEEAHL
COC(=O)CN(CC(=O)OC)Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(CN(CC(=O)OC)CC(=O)OC)=C2)cc(C)c1[O-]	ZINC000097969971	553947813	/nfs/dbraw/zinc/94/78/13/553947813.db2.gz	QCZUZGPGSVSWND-GIBOGKFOSA-N	-2	3	728.773	2.001	50	30		KEEAHL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C)C(=O)C(C[NH2+]CC(=O)[O-])=C2)cc(C[NH2+]CC(=O)[O-])c1[O-]	ZINC000100154360	554232590	/nfs/dbraw/zinc/23/25/90/554232590.db2.gz	KRKXJTVSUGCCBR-XIEYBQDHSA-N	-2	3	556.593	2.053	50	30		KEEAHL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=Nc3ccc(S(N)(=O)=O)cc3[O-])C1=O)O2	ZINC000828237974	1066387000	/nfs/dbraw/zinc/38/70/00/1066387000.db2.gz	KSJKCWYNZWNRMH-GOOYREHVSA-N	-2	3	514.512	2.034	50	30		KEEAHL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=Nc3cc(S(N)(=O)=O)ccc3[O-])C1=O)O2	ZINC000828237998	1066387244	/nfs/dbraw/zinc/38/72/44/1066387244.db2.gz	RWGIIYWJLYEDFK-GOOYREHVSA-N	-2	3	514.512	2.034	50	30		KEEAHL
CC(=O)c1c2c(c([O-])c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=Nc3cc(-c4nnn(CC(=O)[O-])n4)ccc3[O-])C1=O)O2	ZINC000828534103	1066387337	/nfs/dbraw/zinc/38/73/37/1066387337.db2.gz	XIQQKPPVMPKSFE-ZGKYRPLCSA-N	-3	3	561.507	2.124	50	30		KEEAHL