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-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)o1	ZINC000226353757	231037196	/nfs/dbraw/zinc/03/71/96/231037196.db2.gz	UCVOODVUNTUHEZ-UHFFFAOYSA-N	-2	0	388.357	3.354	40	5		GGBBRL
O=c1[n-]c(C=Cc2ccc(OCCOc3ccccc3)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000409339327	231191868	/nfs/dbraw/zinc/19/18/68/231191868.db2.gz	HIBPDHIETFJYAE-FLIBITNWSA-N	-2	0	395.371	3.424	40	5		GGBBRL
O=C([O-])c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)o1	ZINC000226353914	231036987	/nfs/dbraw/zinc/03/69/87/231036987.db2.gz	LCELQMQSQVLYHL-UHFFFAOYSA-N	-2	0	388.357	3.354	40	5		GGBBRL
Cc1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)cc1[N+](=O)[O-]	ZINC000409349698	231194787	/nfs/dbraw/zinc/19/47/87/231194787.db2.gz	VWNCUUCHYOEBOU-ALCCZGGFSA-N	-2	0	384.304	3.443	40	5		GGBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1OCC(C)C	ZINC000409330302	528194157	/nfs/dbraw/zinc/19/41/57/528194157.db2.gz	KWZZPTQGWVEDPO-SOFGYWHQSA-N	-2	0	375.381	3.400	40	5		GGBBRL
O=C([O-])c1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1	ZINC000226353821	231036958	/nfs/dbraw/zinc/03/69/58/231036958.db2.gz	GHTRZIKNNNULSY-UHFFFAOYSA-N	-2	0	388.357	3.354	40	5		GGBBRL
O=C([O-])c1cccc(Nc2ncnc(Nc3cccc(C(=O)[O-])c3)c2[N+](=O)[O-])c1	ZINC000016399443	221361428	/nfs/dbraw/zinc/36/14/28/221361428.db2.gz	OGHKJKRJHGVOON-UHFFFAOYSA-N	-2	0	395.331	3.268	40	5		GGBBRL
CCOC(=O)c1ccc(-c2ccc(C=Cc3nc([O-])c([N+](=O)[O-])c(=O)[n-]3)o2)cc1	ZINC000409327764	528195595	/nfs/dbraw/zinc/19/55/95/528195595.db2.gz	MPEOZDCIFUFMER-NTMALXAHSA-N	-2	0	397.343	3.403	40	5		GGBBRL
O=C([O-])c1ccc(-c2ccccc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1	ZINC000226353786	231037167	/nfs/dbraw/zinc/03/71/67/231037167.db2.gz	FEFHFFBAUNIFOR-UHFFFAOYSA-N	-2	0	388.357	3.354	40	5		GGBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1O[C@H](C)CC	ZINC000033936278	206100776	/nfs/dbraw/zinc/10/07/76/206100776.db2.gz	RPTSTMJEGACHCP-GXMKHXEJSA-N	-2	0	375.381	3.130	40	5		GGBBRL
CCOc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)ccc1O[C@@H](C)CC	ZINC000033936279	570514579	/nfs/dbraw/zinc/51/45/79/570514579.db2.gz	RPTSTMJEGACHCP-DVBBHNHCSA-N	-2	0	375.381	3.130	40	5		GGBBRL
O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)o1	ZINC000226352841	1433368524	/nfs/dbraw/zinc/36/85/24/1433368524.db2.gz	FZTGANYGLSGBCM-UHFFFAOYSA-N	-2	0	388.357	3.354	40	5		GGBBRL
O=c1[n-]c(C=Cc2cccc(OCCOc3ccccc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000009234913	1398855768	/nfs/dbraw/zinc/85/57/68/1398855768.db2.gz	AYNFGLBDLZVXDF-MDZDMXLPSA-N	-2	0	395.371	3.012	40	5		GGBBRL
O=C([O-])c1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)o1	ZINC000226353859	231037150	/nfs/dbraw/zinc/03/71/50/231037150.db2.gz	FUFUAXQGDVPJIF-UHFFFAOYSA-N	-2	0	388.357	3.354	40	5		GGBBRL
O=c1[n-]c(C=Cc2ccccc2OCCOc2ccccc2)nc([O-])c1[N+](=O)[O-]	ZINC000409339680	231191992	/nfs/dbraw/zinc/19/19/92/231191992.db2.gz	KMBPPZBJFJCGSF-KHPPLWFESA-N	-2	0	395.371	3.424	40	5		GGBBRL