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-])COCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000093228411	378379171	/nfs/dbraw/zinc/37/91/71/378379171.db2.gz	VQFNWCKXNYJXJM-UHFFFAOYSA-N	-2	3	304.280	-0.026	20	5		DBBDHL
Cc1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000548207148	380492735	/nfs/dbraw/zinc/49/27/35/380492735.db2.gz	GGBWDXBSZWCUNY-SSDOTTSWSA-N	-2	3	304.280	-0.373	20	5		DBBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277213417	382588236	/nfs/dbraw/zinc/58/82/36/382588236.db2.gz	GWWHHFSFXFYHJN-MRVPVSSYSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000021813385	337338304	/nfs/dbraw/zinc/33/83/04/337338304.db2.gz	IIOWJQHYJJUROZ-LURJTMIESA-N	-2	3	317.279	-0.798	20	5		DBBDHL
COC[C@@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001599154958	1017532417	/nfs/dbraw/zinc/53/24/17/1017532417.db2.gz	BZMFBZCZYCUIGM-SNVBAGLBSA-N	-2	3	319.295	-0.242	20	5		DBBDHL
COC[C@](C)([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001599154957	1017532822	/nfs/dbraw/zinc/53/28/22/1017532822.db2.gz	BZMFBZCZYCUIGM-JTQLQIEISA-N	-2	3	319.295	-0.242	20	5		DBBDHL
O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000019232142	182110427	/nfs/dbraw/zinc/11/04/27/182110427.db2.gz	VVKSBNFUMCJJHV-SSDOTTSWSA-N	-2	3	324.698	-0.028	20	5		DBBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-]	ZINC000090262944	374650139	/nfs/dbraw/zinc/65/01/39/374650139.db2.gz	INLFAVXNDSCUEJ-QMMMGPOBSA-N	-2	3	304.280	-0.373	20	5		DBBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000356617986	378066036	/nfs/dbraw/zinc/06/60/36/378066036.db2.gz	XZNUSGOUZZKKHG-JTQLQIEISA-N	-2	3	320.261	-0.323	20	5		DBBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000035346838	393470178	/nfs/dbraw/zinc/47/01/78/393470178.db2.gz	LQPBWQDYVJZPHM-ZETCQYMHSA-N	-2	3	304.280	-0.373	20	5		DBBDHL
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000436992535	266072496	/nfs/dbraw/zinc/07/24/96/266072496.db2.gz	WYGKZSMONWONBZ-VIFPVBQESA-N	-2	3	320.261	-0.323	20	5		DBBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000436973117	266072952	/nfs/dbraw/zinc/07/29/52/266072952.db2.gz	ROAYOJOAXBAESF-VIFPVBQESA-N	-2	3	320.261	-0.323	20	5		DBBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC000521371663	266326909	/nfs/dbraw/zinc/32/69/09/266326909.db2.gz	JKQJEVVBVIKICW-MRVPVSSYSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
O=C([O-])C(=O)NCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000360411686	374563222	/nfs/dbraw/zinc/56/32/22/374563222.db2.gz	CLVCTVUOZFDMKS-UHFFFAOYSA-N	-2	3	317.279	-0.926	20	5		DBBDHL
O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000042266363	380826936	/nfs/dbraw/zinc/82/69/36/380826936.db2.gz	RRWJKDHOZXVZHD-ZETCQYMHSA-N	-2	3	308.243	-0.542	20	5		DBBDHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000090262932	381034006	/nfs/dbraw/zinc/03/40/06/381034006.db2.gz	GEKVVYAHDACERQ-ZETCQYMHSA-N	-2	3	324.698	-0.028	20	5		DBBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1C	ZINC000274966135	130277945	/nfs/dbraw/zinc/27/79/45/130277945.db2.gz	VRQKSMREDDPKLV-QMMMGPOBSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000436874922	266071656	/nfs/dbraw/zinc/07/16/56/266071656.db2.gz	WUVWHZOCXXHBOK-SECBINFHSA-N	-2	3	320.261	-0.323	20	5		DBBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c1C	ZINC000518396598	266301525	/nfs/dbraw/zinc/30/15/25/266301525.db2.gz	ISYAYXWGBXKMNI-SECBINFHSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
Cc1cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c(F)cc1[N+](=O)[O-]	ZINC001600299829	1017695440	/nfs/dbraw/zinc/69/54/40/1017695440.db2.gz	KMWGVOABVXWITB-QMMMGPOBSA-N	-2	3	322.270	-0.234	20	5		DBBDHL
Cc1cc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c([N+](=O)[O-])s1	ZINC001600297471	1017695651	/nfs/dbraw/zinc/69/56/51/1017695651.db2.gz	SCUSIICQFJDLRI-RXMQYKEDSA-N	-2	3	310.309	-0.311	20	5		DBBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-]	ZINC000090262945	374650928	/nfs/dbraw/zinc/65/09/28/374650928.db2.gz	INLFAVXNDSCUEJ-MRVPVSSYSA-N	-2	3	304.280	-0.373	20	5		DBBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-]	ZINC000090262582	381033650	/nfs/dbraw/zinc/03/36/50/381033650.db2.gz	UHOIKWHZQXRVDB-SSDOTTSWSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c1C	ZINC000274966130	130277685	/nfs/dbraw/zinc/27/76/85/130277685.db2.gz	VRQKSMREDDPKLV-MRVPVSSYSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000040699931	392482764	/nfs/dbraw/zinc/48/27/64/392482764.db2.gz	JNNUHHOUNZTNFY-SSDOTTSWSA-N	-2	3	304.280	-0.291	20	5		DBBDHL
Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000610090803	374545597	/nfs/dbraw/zinc/54/55/97/374545597.db2.gz	YBONGJBZSARVBB-QMMMGPOBSA-N	-2	3	307.266	-0.063	20	5		DBBDHL
COC[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000158608442	374974174	/nfs/dbraw/zinc/97/41/74/374974174.db2.gz	QBKRVVUXPICYHI-ZETCQYMHSA-N	-2	3	304.280	-0.027	20	5		DBBDHL
O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000356617988	378065623	/nfs/dbraw/zinc/06/56/23/378065623.db2.gz	XZNUSGOUZZKKHG-SNVBAGLBSA-N	-2	3	320.261	-0.323	20	5		DBBDHL
Cc1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000547934414	380356575	/nfs/dbraw/zinc/35/65/75/380356575.db2.gz	CAIWOMFLUULNQT-QMMMGPOBSA-N	-2	3	304.280	-0.373	20	5		DBBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000037465366	392013689	/nfs/dbraw/zinc/01/36/89/392013689.db2.gz	XOEWNIBFDJSMTC-ZETCQYMHSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000020545780	392823960	/nfs/dbraw/zinc/82/39/60/392823960.db2.gz	IVRFKAUYGBXKDI-MUWHJKNJSA-N	-2	3	304.280	-0.293	20	5		DBBDHL
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000353564658	304501785	/nfs/dbraw/zinc/50/17/85/304501785.db2.gz	DGIKCUNGFVGJSZ-JTQLQIEISA-N	-2	3	320.261	-0.323	20	5		DBBDHL
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000436969327	266071538	/nfs/dbraw/zinc/07/15/38/266071538.db2.gz	ZDZSMNIDQDCAHY-VIFPVBQESA-N	-2	3	320.261	-0.323	20	5		DBBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-]	ZINC000090262581	522985389	/nfs/dbraw/zinc/98/53/89/522985389.db2.gz	UHOIKWHZQXRVDB-ZETCQYMHSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000822903115	607194598	/nfs/dbraw/zinc/19/45/98/607194598.db2.gz	HBEATWFXLDFXRO-UHFFFAOYSA-N	-2	3	316.237	-0.052	20	5		DBBDHL
Cc1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c(F)cc1[N+](=O)[O-]	ZINC001600300417	1017696027	/nfs/dbraw/zinc/69/60/27/1017696027.db2.gz	OIXQWLLSPZPWHI-ZETCQYMHSA-N	-2	3	322.270	-0.234	20	5		DBBDHL
O=C([O-])[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC001602203547	1017975931	/nfs/dbraw/zinc/97/59/31/1017975931.db2.gz	LTWOHVRFDDXDBF-IONNQARKSA-N	-2	3	317.279	-0.490	20	5		DBBDHL
Cc1cc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c([N+](=O)[O-])s1	ZINC001607706992	1019038811	/nfs/dbraw/zinc/03/88/11/1019038811.db2.gz	QOVZXSKPJVRVQU-YFKPBYRVSA-N	-2	3	310.309	-0.311	20	5		DBBDHL
O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000093091643	283560280	/nfs/dbraw/zinc/56/02/80/283560280.db2.gz	AAVZAXHDSZKDFT-ZCFIWIBFSA-N	-3	3	318.263	-0.199	20	5		DBBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000020011842	182177670	/nfs/dbraw/zinc/17/76/70/182177670.db2.gz	GCPAWSNRHMPWKG-SSDOTTSWSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1C	ZINC000275223149	392149727	/nfs/dbraw/zinc/14/97/27/392149727.db2.gz	ISYAYXWGBXKMNI-VIFPVBQESA-N	-2	3	318.307	-0.065	20	5		DBBDHL
CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC001588870074	1021146315	/nfs/dbraw/zinc/14/63/15/1021146315.db2.gz	WRSHWGZKOQDDBG-UHFFFAOYSA-N	-2	3	312.267	-0.400	20	5		DBBDHL
CCO[N-]C(=O)CNc1ncc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC001590818485	1021592229	/nfs/dbraw/zinc/59/22/29/1021592229.db2.gz	BSOHVWGGPNSBFU-UHFFFAOYSA-N	-2	3	308.258	-0.351	20	5		DBBDHL
CCO[N-]C(=O)CNc1ncc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC001590818485	1021592247	/nfs/dbraw/zinc/59/22/47/1021592247.db2.gz	BSOHVWGGPNSBFU-UHFFFAOYSA-N	-2	3	308.258	-0.351	20	5		DBBDHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000090262848	374650732	/nfs/dbraw/zinc/65/07/32/374650732.db2.gz	ZVZLNBNQJKALIX-ZETCQYMHSA-N	-2	3	324.698	-0.028	20	5		DBBDHL
COc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000090262845	381033494	/nfs/dbraw/zinc/03/34/94/381033494.db2.gz	NKTKEPSUYIBNQT-MRVPVSSYSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-]	ZINC000090262670	381033603	/nfs/dbraw/zinc/03/36/03/381033603.db2.gz	USOACZPDYBCBNM-SSDOTTSWSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000090262954	381033925	/nfs/dbraw/zinc/03/39/25/381033925.db2.gz	CERCVACNCPSYFO-ZETCQYMHSA-N	-2	3	308.243	-0.542	20	5		DBBDHL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000042266324	393736766	/nfs/dbraw/zinc/73/67/66/393736766.db2.gz	IXDFEOSNOCXTHL-ANLVUFKYSA-N	-2	3	322.270	-0.154	20	5		DBBDHL
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000445006770	280227811	/nfs/dbraw/zinc/22/78/11/280227811.db2.gz	HNIDEDRAUFGPAI-QMMMGPOBSA-N	-2	3	321.249	-0.928	20	5		DBBDHL
O=C([O-])[C@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOC1	ZINC001601723739	1017870155	/nfs/dbraw/zinc/87/01/55/1017870155.db2.gz	WPQIYTDRTMSHMB-JTQLQIEISA-N	-2	3	317.279	-0.488	20	5		DBBDHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000043592123	374455219	/nfs/dbraw/zinc/45/52/19/374455219.db2.gz	ORBSVDLVXBYHCP-QMMMGPOBSA-N	-2	3	322.270	-0.152	20	5		DBBDHL
COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]CC(=O)[O-]	ZINC000361995615	374918008	/nfs/dbraw/zinc/91/80/08/374918008.db2.gz	GEFYWGXIYFDAQI-UHFFFAOYSA-N	-2	3	318.263	-0.256	20	5		DBBDHL
Cc1ccc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000548526027	381009884	/nfs/dbraw/zinc/00/98/84/381009884.db2.gz	GGBWDXBSZWCUNY-ZETCQYMHSA-N	-2	3	304.280	-0.373	20	5		DBBDHL
O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000093091642	382583410	/nfs/dbraw/zinc/58/34/10/382583410.db2.gz	AAVZAXHDSZKDFT-LURJTMIESA-N	-3	3	318.263	-0.199	20	5		DBBDHL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000042266323	393736741	/nfs/dbraw/zinc/73/67/41/393736741.db2.gz	IXDFEOSNOCXTHL-CDUCUWFYSA-N	-2	3	322.270	-0.154	20	5		DBBDHL
O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000436992533	266072193	/nfs/dbraw/zinc/07/21/93/266072193.db2.gz	WYGKZSMONWONBZ-SECBINFHSA-N	-2	3	320.261	-0.323	20	5		DBBDHL
O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000020564505	337331635	/nfs/dbraw/zinc/33/16/35/337331635.db2.gz	FNLJZVGUJODQCF-ZCFIWIBFSA-N	-2	3	324.698	-0.028	20	5		DBBDHL
O=C([N-]OCCN1CCCC1=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000857330517	806115242	/nfs/dbraw/zinc/11/52/42/806115242.db2.gz	LICXMHXZHGVIFM-UHFFFAOYSA-N	-2	3	310.266	-0.021	20	5		DBBDHL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cn2)CCOC1	ZINC001601723741	1017870346	/nfs/dbraw/zinc/87/03/46/1017870346.db2.gz	WPQIYTDRTMSHMB-SNVBAGLBSA-N	-2	3	317.279	-0.488	20	5		DBBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000619470148	379828955	/nfs/dbraw/zinc/82/89/55/379828955.db2.gz	NOMRYFMUXOWCDU-ZCFIWIBFSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000037465368	392013636	/nfs/dbraw/zinc/01/36/36/392013636.db2.gz	XOEWNIBFDJSMTC-SSDOTTSWSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
COc1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020022690	182179960	/nfs/dbraw/zinc/17/99/60/182179960.db2.gz	JFDAIMJVUHDBGK-SSDOTTSWSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
COC[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000158608585	374972286	/nfs/dbraw/zinc/97/22/86/374972286.db2.gz	QBKRVVUXPICYHI-SSDOTTSWSA-N	-2	3	304.280	-0.027	20	5		DBBDHL
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000346918560	379661623	/nfs/dbraw/zinc/66/16/23/379661623.db2.gz	STDZWCWGEAXRQZ-VIFPVBQESA-N	-2	3	320.261	-0.323	20	5		DBBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])cc1C	ZINC000090263040	381033617	/nfs/dbraw/zinc/03/36/17/381033617.db2.gz	OXHXVBLVPDWVHE-SECBINFHSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
Cc1ccc(C)c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277233055	382588849	/nfs/dbraw/zinc/58/88/49/382588849.db2.gz	JKQJEVVBVIKICW-QMMMGPOBSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000040699930	392164223	/nfs/dbraw/zinc/16/42/23/392164223.db2.gz	JNNUHHOUNZTNFY-ZETCQYMHSA-N	-2	3	304.280	-0.291	20	5		DBBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])cc1C	ZINC000021796081	392833511	/nfs/dbraw/zinc/83/35/11/392833511.db2.gz	VGMCPIXDSCZQIM-QMMMGPOBSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000035346839	393470193	/nfs/dbraw/zinc/47/01/93/393470193.db2.gz	LQPBWQDYVJZPHM-SSDOTTSWSA-N	-2	3	304.280	-0.373	20	5		DBBDHL
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000346915483	280168342	/nfs/dbraw/zinc/16/83/42/280168342.db2.gz	PKTOUVLLNOZXEN-MRVPVSSYSA-N	-2	3	321.249	-0.928	20	5		DBBDHL
COc1ccc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000020022687	182179806	/nfs/dbraw/zinc/17/98/06/182179806.db2.gz	JFDAIMJVUHDBGK-ZETCQYMHSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
COc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000619470147	379828781	/nfs/dbraw/zinc/82/87/81/379828781.db2.gz	NOMRYFMUXOWCDU-LURJTMIESA-N	-2	3	320.279	-0.673	20	5		DBBDHL
COc1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000090262844	381033570	/nfs/dbraw/zinc/03/35/70/381033570.db2.gz	NKTKEPSUYIBNQT-QMMMGPOBSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
O=C([O-])[C@H](CO)[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000020564507	382599524	/nfs/dbraw/zinc/59/95/24/382599524.db2.gz	FNLJZVGUJODQCF-LURJTMIESA-N	-2	3	324.698	-0.028	20	5		DBBDHL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000042266325	392497530	/nfs/dbraw/zinc/49/75/30/392497530.db2.gz	IXDFEOSNOCXTHL-SSDLBLMSSA-N	-2	3	322.270	-0.154	20	5		DBBDHL
Cc1[n-][nH]c(=O)c1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000571505844	517522878	/nfs/dbraw/zinc/52/28/78/517522878.db2.gz	IZQPNHXXSODLHK-QMMMGPOBSA-N	-2	3	307.266	-0.063	20	5		DBBDHL
C[C@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000090277012	803800522	/nfs/dbraw/zinc/80/05/22/803800522.db2.gz	YKCZDPALUHVLIZ-JTQLQIEISA-N	-2	3	322.270	-0.152	20	5		DBBDHL
COC(=O)c1cc(C(=O)[N-]n2c(=O)[n-][nH]c2=O)cc([N+](=O)[O-])c1	ZINC000820293160	805153472	/nfs/dbraw/zinc/15/34/72/805153472.db2.gz	ZYVKIMIWTJPIIM-UHFFFAOYSA-N	-2	3	323.221	-0.232	20	5		DBBDHL
O=C([O-])CN1CCN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)CC1	ZINC001602060925	1017930833	/nfs/dbraw/zinc/93/08/33/1017930833.db2.gz	LODRBTFQQQKKEM-UHFFFAOYSA-N	-2	3	310.266	-0.462	20	5		DBBDHL
CN(CC[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])CC(=O)[O-]	ZINC001606133346	1018737894	/nfs/dbraw/zinc/73/78/94/1018737894.db2.gz	RNPZDBCUXRATMP-UHFFFAOYSA-N	-2	3	318.311	-0.716	20	5		DBBDHL
Cc1ccc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000572179771	376805735	/nfs/dbraw/zinc/80/57/35/376805735.db2.gz	CAIWOMFLUULNQT-MRVPVSSYSA-N	-2	3	304.280	-0.373	20	5		DBBDHL
Cc1sc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000547877444	380148552	/nfs/dbraw/zinc/14/85/52/380148552.db2.gz	NXHZNWFXZVESKW-YFKPBYRVSA-N	-2	3	310.309	-0.311	20	5		DBBDHL
O=C([O-])[C@@H](CO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000042266364	380826165	/nfs/dbraw/zinc/82/61/65/380826165.db2.gz	RRWJKDHOZXVZHD-SSDOTTSWSA-N	-2	3	308.243	-0.542	20	5		DBBDHL
O=C([O-])[C@@H](O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000090262832	381033374	/nfs/dbraw/zinc/03/33/74/381033374.db2.gz	IIXSEJCBUUMZJW-VIFPVBQESA-N	-2	3	304.280	-0.540	20	5		DBBDHL
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c1[N+](=O)[O-]	ZINC000277213418	382589082	/nfs/dbraw/zinc/58/90/82/382589082.db2.gz	GWWHHFSFXFYHJN-QMMMGPOBSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000445006769	280227970	/nfs/dbraw/zinc/22/79/70/280227970.db2.gz	HNIDEDRAUFGPAI-MRVPVSSYSA-N	-2	3	321.249	-0.928	20	5		DBBDHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000021813384	337338368	/nfs/dbraw/zinc/33/83/68/337338368.db2.gz	IIOWJQHYJJUROZ-ZCFIWIBFSA-N	-2	3	317.279	-0.798	20	5		DBBDHL
Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O	ZINC000610090801	374546074	/nfs/dbraw/zinc/54/60/74/374546074.db2.gz	YBONGJBZSARVBB-MRVPVSSYSA-N	-2	3	307.266	-0.063	20	5		DBBDHL
Cc1[n-][nH]c(=O)c1CCNC(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000571505838	376759740	/nfs/dbraw/zinc/75/97/40/376759740.db2.gz	IZQPNHXXSODLHK-MRVPVSSYSA-N	-2	3	307.266	-0.063	20	5		DBBDHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000280832295	382602447	/nfs/dbraw/zinc/60/24/47/382602447.db2.gz	UKNKNTSAWDAETC-UHFFFAOYSA-N	-2	3	303.296	-0.059	20	5		DBBDHL
O=c1nc(CC[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])[n-]o1	ZINC000352871719	392159287	/nfs/dbraw/zinc/15/92/87/392159287.db2.gz	OVTZRHXUGQLCLY-UHFFFAOYSA-N	-2	3	314.279	-0.208	20	5		DBBDHL
O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000436973116	266071588	/nfs/dbraw/zinc/07/15/88/266071588.db2.gz	ROAYOJOAXBAESF-SECBINFHSA-N	-2	3	320.261	-0.323	20	5		DBBDHL
O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000436874923	266071616	/nfs/dbraw/zinc/07/16/16/266071616.db2.gz	WUVWHZOCXXHBOK-VIFPVBQESA-N	-2	3	320.261	-0.323	20	5		DBBDHL
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000346918559	304530208	/nfs/dbraw/zinc/53/02/08/304530208.db2.gz	STDZWCWGEAXRQZ-SECBINFHSA-N	-2	3	320.261	-0.323	20	5		DBBDHL
COCC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001599218680	1017557092	/nfs/dbraw/zinc/55/70/92/1017557092.db2.gz	KGDKEGFLCNGTRH-QMMMGPOBSA-N	-2	3	319.295	-0.242	20	5		DBBDHL
O=C(c1cc([N+](=O)[O-])c[n-]c1=O)N1CCN2C(=O)[N-]C(=O)[C@@H]2C1	ZINC000346915487	296187280	/nfs/dbraw/zinc/18/72/80/296187280.db2.gz	PKTOUVLLNOZXEN-QMMMGPOBSA-N	-2	3	321.249	-0.928	20	5		DBBDHL
Cc1sc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000547874879	380148448	/nfs/dbraw/zinc/14/84/48/380148448.db2.gz	NXHZNWFXZVESKW-RXMQYKEDSA-N	-2	3	310.309	-0.311	20	5		DBBDHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000230065004	382632017	/nfs/dbraw/zinc/63/20/17/382632017.db2.gz	ADQOTMSLLRBLMQ-QMMMGPOBSA-N	-2	3	304.280	-0.291	20	5		DBBDHL
O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000353564659	382641062	/nfs/dbraw/zinc/64/10/62/382641062.db2.gz	DGIKCUNGFVGJSZ-SNVBAGLBSA-N	-2	3	320.261	-0.323	20	5		DBBDHL
O=c1[n-]c(CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)n[nH]1	ZINC000823657815	805236375	/nfs/dbraw/zinc/23/63/75/805236375.db2.gz	VCQJDWVPAGFWMD-UHFFFAOYSA-N	-2	3	304.230	-0.394	20	5		DBBDHL
O=c1[n-]c(CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)n[nH]1	ZINC000823657815	805236384	/nfs/dbraw/zinc/23/63/84/805236384.db2.gz	VCQJDWVPAGFWMD-UHFFFAOYSA-N	-2	3	304.230	-0.394	20	5		DBBDHL
COC[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001599178317	1017544754	/nfs/dbraw/zinc/54/47/54/1017544754.db2.gz	OITPAGANXBPLND-ZETCQYMHSA-N	-2	3	305.268	-0.632	20	5		DBBDHL
Cc1cc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])c([N+](=O)[O-])s1	ZINC001600297594	1017696310	/nfs/dbraw/zinc/69/63/10/1017696310.db2.gz	SCUSIICQFJDLRI-YFKPBYRVSA-N	-2	3	310.309	-0.311	20	5		DBBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000020011840	182177610	/nfs/dbraw/zinc/17/76/10/182177610.db2.gz	GCPAWSNRHMPWKG-ZETCQYMHSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
O=C([O-])[C@@H](CCO)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000043592124	374456147	/nfs/dbraw/zinc/45/61/47/374456147.db2.gz	ORBSVDLVXBYHCP-MRVPVSSYSA-N	-2	3	322.270	-0.152	20	5		DBBDHL
Cc1sc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])cc1[N+](=O)[O-]	ZINC000572855765	374560224	/nfs/dbraw/zinc/56/02/24/374560224.db2.gz	LHHLOZPLBGLSEM-ZCFIWIBFSA-N	-2	3	310.309	-0.311	20	5		DBBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])cc1C	ZINC000090263039	381032547	/nfs/dbraw/zinc/03/25/47/381032547.db2.gz	OXHXVBLVPDWVHE-VIFPVBQESA-N	-2	3	318.307	-0.065	20	5		DBBDHL
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])cc1C	ZINC000021796085	392440644	/nfs/dbraw/zinc/44/06/44/392440644.db2.gz	VGMCPIXDSCZQIM-MRVPVSSYSA-N	-2	3	318.307	-0.065	20	5		DBBDHL
C[C@@](O)(C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)C(=O)[O-]	ZINC000090277011	664141816	/nfs/dbraw/zinc/14/18/16/664141816.db2.gz	YKCZDPALUHVLIZ-SNVBAGLBSA-N	-2	3	322.270	-0.152	20	5		DBBDHL
CCO[N-]C(=O)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000846002373	805740238	/nfs/dbraw/zinc/74/02/38/805740238.db2.gz	FTBWYFVVXFEFFI-UHFFFAOYSA-N	-2	3	304.284	-0.664	20	5		DBBDHL
COC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001599178316	1017544224	/nfs/dbraw/zinc/54/42/24/1017544224.db2.gz	OITPAGANXBPLND-SSDOTTSWSA-N	-2	3	305.268	-0.632	20	5		DBBDHL
COCC[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1)C(=O)[O-]	ZINC001599218677	1017557026	/nfs/dbraw/zinc/55/70/26/1017557026.db2.gz	KGDKEGFLCNGTRH-MRVPVSSYSA-N	-2	3	319.295	-0.242	20	5		DBBDHL
O=C([O-])[C@@H](O)CC[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000230064913	377218124	/nfs/dbraw/zinc/21/81/24/377218124.db2.gz	FCVKSWUZIPVGMX-QMMMGPOBSA-N	-2	3	322.270	-0.152	20	5		DBBDHL
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-]	ZINC000090262669	381033730	/nfs/dbraw/zinc/03/37/30/381033730.db2.gz	USOACZPDYBCBNM-ZETCQYMHSA-N	-2	3	320.279	-0.673	20	5		DBBDHL
O=C([O-])[C@H](O)C[N-]S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000090262833	381033792	/nfs/dbraw/zinc/03/37/92/381033792.db2.gz	IIXSEJCBUUMZJW-SECBINFHSA-N	-2	3	304.280	-0.540	20	5		DBBDHL
O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCN2C(=O)[N-]C(=O)[C@H]2C1	ZINC000436969326	266072956	/nfs/dbraw/zinc/07/29/56/266072956.db2.gz	ZDZSMNIDQDCAHY-SECBINFHSA-N	-2	3	320.261	-0.323	20	5		DBBDHL
Nc1c(-c2nnn[n-]2)cnn1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000826395366	609150940	/nfs/dbraw/zinc/15/09/40/609150940.db2.gz	XZDXDQGPHICSEO-UHFFFAOYSA-N	-2	3	316.237	-0.052	20	5		DBBDHL
Nc1c(-c2nn[n-]n2)cnn1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC000826395366	609150941	/nfs/dbraw/zinc/15/09/41/609150941.db2.gz	XZDXDQGPHICSEO-UHFFFAOYSA-N	-2	3	316.237	-0.052	20	5		DBBDHL