smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1-n1c(=O)c2ccc3c(=O)n(-c4ccccc4C(=O)[O-])c(=O)c4ccc(c1=O)c2c34	ZINC000008424720	553014135	/nfs/dbraw/zinc/01/41/35/553014135.db2.gz	OARGXQDAAQNEEM-UHFFFAOYSA-N	-2	0	506.426	2.440	50	5		KEBARL
O=c1nc2n(c([O-])c1[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])nc3n(c1=O)CCCS3)CCCS2	ZINC000009046675	553204320	/nfs/dbraw/zinc/20/43/20/553204320.db2.gz	FQKBOWGXTFRKAU-ZDUSSCGKSA-N	-2	0	501.546	2.291	50	5		KEBARL
O=c1nc2n(c([O-])c1[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])nc3n(c1=O)CCCS3)CCCS2	ZINC000009046676	553204309	/nfs/dbraw/zinc/20/43/09/553204309.db2.gz	FQKBOWGXTFRKAU-CYBMUJFWSA-N	-2	0	501.546	2.291	50	5		KEBARL
O=C([O-])c1cccc(-n2c(=O)c3ccc4c(=O)n(-c5cccc(C(=O)[O-])c5)c(=O)c5ccc(c2=O)c3c45)c1	ZINC000009065075	553205686	/nfs/dbraw/zinc/20/56/86/553205686.db2.gz	QMXCDSOENGRMRX-UHFFFAOYSA-N	-2	0	506.426	2.440	50	5		KEBARL
O=c1nc2n(c([O-])c1[C@H](c1cccc([N+](=O)[O-])c1)c1c([O-])nc3n(c1=O)CCCS3)CCCS2	ZINC000009339757	553243701	/nfs/dbraw/zinc/24/37/01/553243701.db2.gz	STBYFQVWXWVWAD-CYBMUJFWSA-N	-2	0	501.546	2.291	50	5		KEBARL
O=C([O-])c1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(C(=O)[O-])cc5)c(=O)c5ccc(c2=O)c3c45)cc1	ZINC000013549520	553470251	/nfs/dbraw/zinc/47/02/51/553470251.db2.gz	YNACRJFIOLJWEO-UHFFFAOYSA-N	-2	0	506.426	2.440	50	5		KEBARL
COc1cccc(C(=O)NCCNC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2[O-])c1	ZINC000032914447	553876048	/nfs/dbraw/zinc/87/60/48/553876048.db2.gz	NVKFFCPCGVNUHN-UHFFFAOYSA-N	-2	0	514.516	2.270	50	5		KEBARL
COC(=O)c1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c3cc(C(=O)OC)cc(C(=O)OC)c3)c2)cc(C(=O)OC)c1	ZINC000097990125	554028175	/nfs/dbraw/zinc/02/81/75/554028175.db2.gz	UJOIRWWLSIBWNR-UHFFFAOYSA-N	-2	0	665.611	2.343	50	5		KEBARL
O=c1nc2n(c([O-])c1[C@@H](c1cccc([N+](=O)[O-])c1)c1c([O-])nc3n(c1=O)CCCS3)CCCS2	ZINC000100726817	554457561	/nfs/dbraw/zinc/45/75/61/554457561.db2.gz	STBYFQVWXWVWAD-ZDUSSCGKSA-N	-2	0	501.546	2.291	50	5		KEBARL
CC(=O)Oc1ccc(C(=O)[O-])c(-n2c(=O)c3ccc4c(=O)n(-c5cc(OC(C)=O)ccc5C(=O)[O-])c(=O)c5ccc(c2=O)c3c45)c1	ZINC000150384125	571468141	/nfs/dbraw/zinc/46/81/41/571468141.db2.gz	SVGHITZILADKCI-UHFFFAOYSA-N	-2	0	622.498	2.291	50	5		KEBARL