smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)Oc2ccccc2C=NNc2nc([O-])c(CC(=O)[O-])s2)cc1	ZINC000006798001	569125351	/nfs/dbraw/zinc/12/53/51/569125351.db2.gz	IYJFYXFNBNETSC-XYHOIZSOSA-N	-2	1	411.439	2.610	50	30		HFEAML
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C(=O)[N-]C1=S	ZINC000001177642	568821482	/nfs/dbraw/zinc/82/14/82/568821482.db2.gz	SMLCMYYWBNXQOC-BOPFTXTBSA-N	-2	1	409.467	2.605	50	30		HFEAML
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)Nc2nc(C#N)c(C#N)[n-]2)cc1	ZINC000012544333	568849427	/nfs/dbraw/zinc/84/94/27/568849427.db2.gz	GDLQVHOFWWSKGV-UHFFFAOYSA-N	-2	1	406.427	2.515	50	30		HFEAML
Cc1cc(=O)[n-]c(NN=Cc2cc(Br)c([O-])c(Br)c2)n1	ZINC000003945146	568871413	/nfs/dbraw/zinc/87/14/13/568871413.db2.gz	VXPJGHZYRUOLPA-PJQLUOCWSA-N	-2	1	402.046	2.755	50	30		HFEAML
Cc1n[n-]c(=S)n(N=Cc2cc(Br)c([O-])c(Br)c2)c1=O	ZINC000000943989	568753546	/nfs/dbraw/zinc/75/35/46/568753546.db2.gz	LZHVIMIMXKRCMV-LNKIKWGQSA-N	-2	1	420.086	2.722	50	30		HFEAML
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)[N-]C1=S	ZINC000002996350	568614823	/nfs/dbraw/zinc/61/48/23/568614823.db2.gz	RVUUHDOINDRPDO-LDADJPATSA-N	-2	1	422.462	2.777	50	30		HFEAML
C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)[N-]C1=S	ZINC000002995774	568598349	/nfs/dbraw/zinc/59/83/49/568598349.db2.gz	SKFMOFOZVNGREO-LDADJPATSA-N	-2	1	422.462	2.777	50	30		HFEAML
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3)c2C)C(=O)[N-]C1=S	ZINC000002801866	568460165	/nfs/dbraw/zinc/46/01/65/568460165.db2.gz	KWADRMZBJJCAIR-GZTJUZNOSA-N	-2	1	409.467	2.605	50	30		HFEAML
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C(=O)[O-])c2C)C(=O)[N-]C1=S	ZINC000004711434	568963916	/nfs/dbraw/zinc/96/39/16/568963916.db2.gz	SSCWIMLGLPYALZ-LFIBNONCSA-N	-2	1	409.467	2.605	50	30		HFEAML
C=CCN1C(=O)NC(=O)C(=Cc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)o2)C1=O	ZINC000015008709	568736054	/nfs/dbraw/zinc/73/60/54/568736054.db2.gz	KDAKAAFWKLSZDN-NTEUORMPSA-N	-2	1	410.338	2.831	50	30		HFEAML
O=C([O-])Cc1sc(NN=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)nc1[O-]	ZINC000008671124	557799504	/nfs/dbraw/zinc/79/95/04/557799504.db2.gz	PFSZAHLIDIQZSD-BPGOPIFBSA-N	-2	1	422.806	2.904	50	30		HFEAML
O=C([O-])Cc1sc(NN=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc1[O-]	ZINC000006974394	557731725	/nfs/dbraw/zinc/73/17/25/557731725.db2.gz	QVZGLSDJZJKLCS-VXSOZLBZSA-N	-2	1	422.806	2.904	50	30		HFEAML
Cc1ccc(-c2ccc(C=NNc3nc([O-])c(CC(=O)[O-])s3)o2)c([N+](=O)[O-])c1	ZINC000006797604	557721757	/nfs/dbraw/zinc/72/17/57/557721757.db2.gz	BTUHLHJLZWNEGL-PVJNQWLSSA-N	-2	1	402.388	2.559	50	30		HFEAML
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3C)c2C)C(=O)[N-]C1=S	ZINC000001175791	569006452	/nfs/dbraw/zinc/00/64/52/569006452.db2.gz	VDCNCTHGQGLQEU-GZTJUZNOSA-N	-2	1	423.494	2.913	50	30		HFEAML
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)C(=O)[N-]C1=S	ZINC000002805904	568459949	/nfs/dbraw/zinc/45/99/49/568459949.db2.gz	DEQFMGFATMIMGI-GZTJUZNOSA-N	-2	1	423.494	2.913	50	30		HFEAML
Cc1ccc(C(=O)Oc2cccc(C=NNc3nc([O-])c(CC(=O)[O-])s3)c2)cc1	ZINC000006797999	569125344	/nfs/dbraw/zinc/12/53/44/569125344.db2.gz	XNJQMFKKNPLDRA-XYHOIZSOSA-N	-2	1	411.439	2.610	50	30		HFEAML
CC1N=NC(=S)N1N=Cc1cc(Br)c([O-])c(Br)c1[O-]	ZINC000008779077	557808266	/nfs/dbraw/zinc/80/82/66/557808266.db2.gz	SMNMBBUKLLJTET-QLKAYGNNSA-N	-2	1	408.075	2.694	50	30		HFEAML
Cc1ccc(C(=O)Oc2ccc(C=NNc3nc([O-])c(CC(=O)[O-])s3)cc2)cc1	ZINC000006797989	568459667	/nfs/dbraw/zinc/45/96/67/568459667.db2.gz	MCYMFXPNXVBQNG-XYHOIZSOSA-N	-2	1	411.439	2.610	50	30		HFEAML
O=C([O-])Cc1sc(NN=Cc2ccc(OCc3ccc(F)cc3)cc2)nc1[O-]	ZINC000006996806	557732470	/nfs/dbraw/zinc/73/24/70/557732470.db2.gz	OVPHOUFYRMRBKE-PPAWOMOGSA-N	-2	1	401.419	2.801	50	30		HFEAML
O=C([O-])Cc1sc(NN=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)nc1[O-]	ZINC000006974368	557731768	/nfs/dbraw/zinc/73/17/68/557731768.db2.gz	PFSZAHLIDIQZSD-VXSOZLBZSA-N	-2	1	422.806	2.904	50	30		HFEAML