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(/C=N/[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000006888887	201704189	/nfs/dbraw/zinc/70/41/89/201704189.db2.gz	NNJPFRJCAFRFEC-OQLLNIDSSA-N	-2	3	349.324	1.605	10	30		EDEEHL
COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC#N	ZINC000050391959	204599343	/nfs/dbraw/zinc/59/93/43/204599343.db2.gz	SECLGPYWIRDZHK-SSDOTTSWSA-N	-2	3	332.765	1.627	10	30		EDEEHL
CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)[O-]	ZINC000037418998	213146642	/nfs/dbraw/zinc/14/66/42/213146642.db2.gz	GIKIRRPOYQQQFZ-PELKAZGASA-N	-2	3	330.793	1.989	10	30		EDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-]	ZINC000161288235	540032507	/nfs/dbraw/zinc/03/25/07/540032507.db2.gz	ZXHSYENXNYCCTL-LURJTMIESA-N	-2	3	340.220	1.818	10	30		EDEEHL
C#CC[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F	ZINC000037311092	213138764	/nfs/dbraw/zinc/13/87/64/213138764.db2.gz	VMEARDMFOQIBAH-UHFFFAOYSA-N	-2	3	336.138	1.198	10	30		EDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000159616018	527114135	/nfs/dbraw/zinc/11/41/35/527114135.db2.gz	WDGBZZZKQDEPFA-MRVPVSSYSA-N	-2	3	334.737	1.556	10	30		EDEEHL
C#CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000159589044	527164602	/nfs/dbraw/zinc/16/46/02/527164602.db2.gz	VWXSDQCMZOWCFT-MRVPVSSYSA-N	-2	3	332.721	1.003	10	30		EDEEHL
C#CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000159579229	527164578	/nfs/dbraw/zinc/16/45/78/527164578.db2.gz	SKRQYZXUSZFBGY-SECBINFHSA-N	-2	3	332.721	1.003	10	30		EDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000159615881	527222490	/nfs/dbraw/zinc/22/24/90/527222490.db2.gz	WDGBZZZKQDEPFA-QMMMGPOBSA-N	-2	3	334.737	1.556	10	30		EDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000159606533	527223372	/nfs/dbraw/zinc/22/33/72/527223372.db2.gz	FMWVCCQFMUWECQ-VIFPVBQESA-N	-2	3	334.737	1.556	10	30		EDEEHL
C#CC[C@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-]	ZINC000161258685	527176108	/nfs/dbraw/zinc/17/61/08/527176108.db2.gz	JQXCVIUGVHXBEF-LURJTMIESA-N	-2	3	338.204	1.265	10	30		EDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000159597276	527113762	/nfs/dbraw/zinc/11/37/62/527113762.db2.gz	JEWYAMRRPQBPBI-SECBINFHSA-N	-2	3	334.737	1.556	10	30		EDEEHL
C=CC[N-]S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F	ZINC000037311090	213139227	/nfs/dbraw/zinc/13/92/27/213139227.db2.gz	QKTVKMPKICPICQ-UHFFFAOYSA-N	-2	3	338.154	1.751	10	30		EDEEHL
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCCCCCC(=O)N[O-]	ZINC000013475073	441159399	/nfs/dbraw/zinc/15/93/99/441159399.db2.gz	ULHQUNKWQUAIGA-CQSZACIVSA-N	-2	3	336.388	1.645	10	30		EDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)[O-]	ZINC000159606653	527113966	/nfs/dbraw/zinc/11/39/66/527113966.db2.gz	FMWVCCQFMUWECQ-SECBINFHSA-N	-2	3	334.737	1.556	10	30		EDEEHL
C#CC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000159569353	527164811	/nfs/dbraw/zinc/16/48/11/527164811.db2.gz	GXZTTZJNAUTWAU-SECBINFHSA-N	-2	3	332.721	1.003	10	30		EDEEHL
C=CC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000159597155	527223358	/nfs/dbraw/zinc/22/33/58/527223358.db2.gz	JEWYAMRRPQBPBI-VIFPVBQESA-N	-2	3	334.737	1.556	10	30		EDEEHL
COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCC#N	ZINC000054137501	214219373	/nfs/dbraw/zinc/21/93/73/214219373.db2.gz	KHQWVAVTCAWMEZ-UHFFFAOYSA-N	-2	3	332.765	1.629	10	30		EDEEHL
C=C(Cl)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1Br	ZINC000160973719	206321065	/nfs/dbraw/zinc/32/10/65/206321065.db2.gz	PJYYKELAMZYFNK-UHFFFAOYSA-N	-2	3	344.570	1.771	10	30		EDEEHL
CC[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1C#N)CC(=O)[O-]	ZINC000147328151	205365052	/nfs/dbraw/zinc/36/50/52/205365052.db2.gz	RUKAGYJNUILLTF-SECBINFHSA-N	-2	3	330.793	1.991	10	30		EDEEHL
N#Cc1ccc(Cl)cc1S(=O)(=O)[N-][C@@]1(C(=O)[O-])CCSC1	ZINC000043511287	204282583	/nfs/dbraw/zinc/28/25/83/204282583.db2.gz	VOWKYMGKVJVJRB-LBPRGKRZSA-N	-2	3	346.817	1.450	10	30		EDEEHL
C=CC[C@@H]([N-]S(=O)(=O)c1ccc(Br)s1)C(=O)[O-]	ZINC000161288357	540032246	/nfs/dbraw/zinc/03/22/46/540032246.db2.gz	ZXHSYENXNYCCTL-ZCFIWIBFSA-N	-2	3	340.220	1.818	10	30		EDEEHL
COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C#N	ZINC000054156545	214220450	/nfs/dbraw/zinc/22/04/50/214220450.db2.gz	ZHBVMVIIKSNWRS-SSDOTTSWSA-N	-2	3	332.765	1.485	10	30		EDEEHL