smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](CC2CC2)C(=O)[O-])n1	ZINC000600660370	382636167	/nfs/dbraw/zinc/63/61/67/382636167.db2.gz	TWFLXQAMHNVZTH-ZETCQYMHSA-N	-2	0	318.311	-0.140	20	5		DBBDRL
CCOC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600660364	382636299	/nfs/dbraw/zinc/63/62/99/382636299.db2.gz	SWGTXCJEEAMTNJ-ZCFIWIBFSA-N	-2	0	322.299	-0.904	20	5		DBBDRL
C[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000600654794	382636384	/nfs/dbraw/zinc/63/63/84/382636384.db2.gz	FMBUTKJSQDMUJH-LURJTMIESA-N	-2	0	306.300	-0.283	20	5		DBBDRL
O=C([N-]n1c(=O)[n-][nH]c1=O)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000820292061	805153215	/nfs/dbraw/zinc/15/32/15/805153215.db2.gz	OGASOATYNJQIPP-UHFFFAOYSA-N	-2	0	305.210	-0.142	20	5		DBBDRL
O=C([O-])C(=O)N1CCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1	ZINC001594827068	953945920	/nfs/dbraw/zinc/94/59/20/953945920.db2.gz	YQDNGVBCKUWIHJ-UHFFFAOYSA-N	-2	0	323.261	-0.331	20	5		DBBDRL
O=C([O-])[C@@]1([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CCOC1	ZINC001594884871	954452676	/nfs/dbraw/zinc/45/26/76/954452676.db2.gz	ZMJDJVMSVZJHKG-SNVBAGLBSA-N	-2	0	317.279	-0.488	20	5		DBBDRL
Cc1cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])ncc1[N+](=O)[O-]	ZINC001225658305	979600665	/nfs/dbraw/zinc/60/06/65/979600665.db2.gz	DZVVMJNZTHMSRJ-SSDOTTSWSA-N	-2	0	322.166	-0.326	20	5		DBBDRL
O=C([O-])C[C@H](C(=O)Oc1ccc([N+](=O)[O-])nc1)[C@H](O)C(=O)[O-]	ZINC001226712171	979646344	/nfs/dbraw/zinc/64/63/44/979646344.db2.gz	IYWQLGVSWFLKNR-RCOVLWMOSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
CN1C[C@H](C(=O)[O-])N(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1=O	ZINC001598561554	1017303438	/nfs/dbraw/zinc/30/34/38/1017303438.db2.gz	CDLUWCLBBHBVHQ-SECBINFHSA-N	-2	0	323.261	-0.332	20	5		DBBDRL
CN1C[C@H](C(=O)[O-])N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1=O	ZINC001598562883	1017305065	/nfs/dbraw/zinc/30/50/65/1017305065.db2.gz	MXVXUIWNIFBKAS-SECBINFHSA-N	-2	0	323.261	-0.332	20	5		DBBDRL
C[C@@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001604060808	1018286641	/nfs/dbraw/zinc/28/66/41/1018286641.db2.gz	ONBSJOCWFWXXAJ-SYDCGGLASA-N	-2	0	304.284	-0.364	20	5		DBBDRL
CO[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000600652820	377003201	/nfs/dbraw/zinc/00/32/01/377003201.db2.gz	AJTJYCGXDNGTDA-ZCFIWIBFSA-N	-2	0	322.299	-0.904	20	5		DBBDRL
CC(C)[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656923	382636361	/nfs/dbraw/zinc/63/63/61/382636361.db2.gz	YLDWMGFSHNGALH-ZETCQYMHSA-N	-2	0	320.327	-0.037	20	5		DBBDRL
COc1ccc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CC(=O)[O-]	ZINC000738068967	600178268	/nfs/dbraw/zinc/17/82/68/600178268.db2.gz	SWQMUFSNDVPHHY-UHFFFAOYSA-N	-2	0	318.263	-0.252	20	5		DBBDRL
CN(CC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1)C(=O)[O-]	ZINC000828115673	604212921	/nfs/dbraw/zinc/21/29/21/604212921.db2.gz	WNFRZEZYFAIDBM-UHFFFAOYSA-N	-2	0	318.267	-0.596	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(=O)C(C)(C)C(=O)[O-])n1	ZINC000863966080	806385485	/nfs/dbraw/zinc/38/54/85/806385485.db2.gz	VJCXBSRMFOFNQA-UHFFFAOYSA-N	-2	0	320.283	-0.756	20	5		DBBDRL
Cn1nnc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)n1	ZINC000127418007	803811265	/nfs/dbraw/zinc/81/12/65/803811265.db2.gz	XHJDGSVUSGKEBC-UHFFFAOYSA-N	-2	0	300.256	-0.375	20	5		DBBDRL
O=C([O-])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1	ZINC001594828238	953955923	/nfs/dbraw/zinc/95/59/23/953955923.db2.gz	MZCGPJLFSVRSNW-UHFFFAOYSA-N	-2	0	323.261	-0.331	20	5		DBBDRL
O=C([O-])C[C@@H](C(=O)Oc1cccnc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225629825	979601574	/nfs/dbraw/zinc/60/15/74/979601574.db2.gz	SARLAWZQLGXFRW-XRGYYRRGSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
COC[C@@](C)([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)[O-]	ZINC001599157312	1017534329	/nfs/dbraw/zinc/53/43/29/1017534329.db2.gz	YZVTWTPPWSIWIM-SNVBAGLBSA-N	-2	0	319.295	-0.242	20	5		DBBDRL
C[C@@H](C(=O)[O-])S(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])n1C	ZINC001609643735	1019541221	/nfs/dbraw/zinc/54/12/21/1019541221.db2.gz	QMWVGCLPRKTMQA-YFKPBYRVSA-N	-2	0	305.268	-0.534	20	5		DBBDRL
CCC[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600650824	382636035	/nfs/dbraw/zinc/63/60/35/382636035.db2.gz	CHMPNFFCWFILFH-LURJTMIESA-N	-2	0	306.300	-0.140	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCC2)n1	ZINC000600656202	382636125	/nfs/dbraw/zinc/63/61/25/382636125.db2.gz	WFYOINWIKSWQFG-MRVPVSSYSA-N	-2	0	318.311	-0.140	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)n1	ZINC000600653728	382636205	/nfs/dbraw/zinc/63/62/05/382636205.db2.gz	NBUNRJSJFGJMJO-RQJHMYQMSA-N	-2	0	318.311	-0.140	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(CC(=O)[O-])CC2)n1	ZINC000600664602	382636226	/nfs/dbraw/zinc/63/62/26/382636226.db2.gz	CTSDIJWPZCSRKC-UHFFFAOYSA-N	-2	0	304.284	-0.386	20	5		DBBDRL
CC[C@](C)([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600664537	382636277	/nfs/dbraw/zinc/63/62/77/382636277.db2.gz	AIOHUDTUCSHTMW-VIFPVBQESA-N	-2	0	306.300	-0.140	20	5		DBBDRL
Cc1cc(S(=O)(=O)[N-]C(=O)CNC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000738479625	600204057	/nfs/dbraw/zinc/20/40/57/600204057.db2.gz	WPNAYGIINHWTCR-UHFFFAOYSA-N	-2	0	317.279	-0.024	20	5		DBBDRL
O=C([O-])[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000833179851	601143951	/nfs/dbraw/zinc/14/39/51/601143951.db2.gz	WSOPWPGVTRONLC-RQJHMYQMSA-N	-2	0	315.263	-0.485	20	5		DBBDRL
O=C([O-])C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cn1)[C@@H](O)C(=O)[O-]	ZINC001225634573	979601883	/nfs/dbraw/zinc/60/18/83/979601883.db2.gz	IESQAYMEWWOXPY-HZGVNTEJSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
O=C([O-])C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])nc1)[C@H](O)C(=O)[O-]	ZINC001226712168	979646224	/nfs/dbraw/zinc/64/62/24/979646224.db2.gz	IYWQLGVSWFLKNR-MUWHJKNJSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
O=C([O-])C[C@@H](O)C(=O)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21	ZINC001227095851	979661515	/nfs/dbraw/zinc/66/15/15/979661515.db2.gz	KXAURDQTIFBJFD-MRVPVSSYSA-N	-2	0	323.217	-0.015	20	5		DBBDRL
COC[C@](C)([N-]S(=O)(=O)c1ncccc1[N+](=O)[O-])C(=O)[O-]	ZINC001599157311	1017534750	/nfs/dbraw/zinc/53/47/50/1017534750.db2.gz	YZVTWTPPWSIWIM-JTQLQIEISA-N	-2	0	319.295	-0.242	20	5		DBBDRL
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCC(=O)[O-]	ZINC001600971386	1017761343	/nfs/dbraw/zinc/76/13/43/1017761343.db2.gz	ZVVCVZGAXAOOGU-UHFFFAOYSA-N	-2	0	305.268	-0.532	20	5		DBBDRL
O=C([O-])C(F)(F)C[N-]S(=O)(=O)c1ncccc1[N+](=O)[O-]	ZINC001601663551	1017866011	/nfs/dbraw/zinc/86/60/11/1017866011.db2.gz	AGWTZJJPBSPZNH-UHFFFAOYSA-N	-2	0	311.222	-0.012	20	5		DBBDRL
O=C([O-])C(F)(F)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC001601665180	1017866499	/nfs/dbraw/zinc/86/64/99/1017866499.db2.gz	VNDWYTYCZXKNND-UHFFFAOYSA-N	-2	0	311.222	-0.012	20	5		DBBDRL
C[C@H](/C=C/C(=O)[O-])[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001604060786	1018287686	/nfs/dbraw/zinc/28/76/86/1018287686.db2.gz	ONBSJOCWFWXXAJ-FCJGRKLLSA-N	-2	0	304.284	-0.364	20	5		DBBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)C(=O)[O-]	ZINC000547872494	283754908	/nfs/dbraw/zinc/75/49/08/283754908.db2.gz	GXGCJVAMEORJJL-BYPYZUCNSA-N	-2	0	324.292	-0.138	20	5		DBBDRL
CO[C@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000600652819	377002279	/nfs/dbraw/zinc/00/22/79/377002279.db2.gz	AJTJYCGXDNGTDA-LURJTMIESA-N	-2	0	322.299	-0.904	20	5		DBBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000110969282	382327819	/nfs/dbraw/zinc/32/78/19/382327819.db2.gz	DJCPVDJSPRKSBI-UHFFFAOYSA-N	-2	0	318.263	-0.245	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)n1	ZINC000600655147	382636138	/nfs/dbraw/zinc/63/61/38/382636138.db2.gz	JNUZCMJLVSSXMC-RNFRBKRXSA-N	-2	0	316.295	-0.364	20	5		DBBDRL
C[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])CC(=O)[O-]	ZINC000600654795	382636217	/nfs/dbraw/zinc/63/62/17/382636217.db2.gz	FMBUTKJSQDMUJH-ZCFIWIBFSA-N	-2	0	306.300	-0.283	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])n1	ZINC000600665151	382636327	/nfs/dbraw/zinc/63/63/27/382636327.db2.gz	NLPYBWIMFQJDPK-VIFPVBQESA-N	-2	0	324.290	-0.191	20	5		DBBDRL
C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC000600658329	382636388	/nfs/dbraw/zinc/63/63/88/382636388.db2.gz	MKWDWHKYEGIUHP-RITPCOANSA-N	-2	0	306.300	-0.284	20	5		DBBDRL
C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000600661127	382636396	/nfs/dbraw/zinc/63/63/96/382636396.db2.gz	WUBPXEJCSVQLIG-ZCFIWIBFSA-N	-2	0	318.311	-0.140	20	5		DBBDRL
C[C@H](NC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000825186956	604212046	/nfs/dbraw/zinc/21/20/46/604212046.db2.gz	WROHDLSGEKJRPB-YFKPBYRVSA-N	-2	0	318.267	-0.549	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CC=C(C(=O)[O-])C2)n1	ZINC000863409798	806356087	/nfs/dbraw/zinc/35/60/87/806356087.db2.gz	LHYVXKWVZGGGJM-SSDOTTSWSA-N	-2	0	316.295	-0.220	20	5		DBBDRL
O=C([O-])CN(CC(=O)[O-])S(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000776644669	804460517	/nfs/dbraw/zinc/46/05/17/804460517.db2.gz	DFYUSWBHTUWXSB-UHFFFAOYSA-N	-2	0	324.292	-0.184	20	5		DBBDRL
O=C([O-])[C@]1([N-]S(=O)(=O)c2ncccc2[N+](=O)[O-])CCOC1	ZINC001594884870	954453031	/nfs/dbraw/zinc/45/30/31/954453031.db2.gz	ZMJDJVMSVZJHKG-JTQLQIEISA-N	-2	0	317.279	-0.488	20	5		DBBDRL
O=C([O-])C[C@H](C(=O)Oc1ccc([N+](=O)[O-])cn1)[C@H](O)C(=O)[O-]	ZINC001225634576	979600992	/nfs/dbraw/zinc/60/09/92/979600992.db2.gz	IESQAYMEWWOXPY-RCOVLWMOSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
O=C([O-])C[C@@H](C(=O)Oc1cccnc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225629820	979601170	/nfs/dbraw/zinc/60/11/70/979601170.db2.gz	SARLAWZQLGXFRW-SVGQVSJJSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
O=C([O-])C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])nc1)[C@@H](O)C(=O)[O-]	ZINC001226712164	979644972	/nfs/dbraw/zinc/64/49/72/979644972.db2.gz	IYWQLGVSWFLKNR-HZGVNTEJSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
O=C(Oc1cncc([N+](=O)[O-])c1)[C@H](O)COP(=O)([O-])[O-]	ZINC001227990778	979667849	/nfs/dbraw/zinc/66/78/49/979667849.db2.gz	QOCZMMBPRUKWAK-SSDOTTSWSA-N	-2	0	308.139	-0.635	20	5		DBBDRL
O=C([O-])C[C@@H](C(=O)Oc1cncc([N+](=O)[O-])c1)[C@H](O)C(=O)[O-]	ZINC001227991159	979668707	/nfs/dbraw/zinc/66/87/07/979668707.db2.gz	VOBZHIWJXDHWMX-APPZFPTMSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
CN1C[C@H](C(=O)[O-])N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1=O	ZINC001598562055	1017305308	/nfs/dbraw/zinc/30/53/08/1017305308.db2.gz	GSPRMWOGLIPRRY-SNVBAGLBSA-N	-2	0	323.261	-0.332	20	5		DBBDRL
CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1=O	ZINC001598562054	1017306309	/nfs/dbraw/zinc/30/63/09/1017306309.db2.gz	GSPRMWOGLIPRRY-JTQLQIEISA-N	-2	0	323.261	-0.332	20	5		DBBDRL
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1	ZINC001601940209	1017894993	/nfs/dbraw/zinc/89/49/93/1017894993.db2.gz	HFVIQBUPWVOCFE-SNVBAGLBSA-N	-2	0	323.261	-0.284	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CCCCC(=O)[O-])n1	ZINC000600652551	382635739	/nfs/dbraw/zinc/63/57/39/382635739.db2.gz	WHPTUJGDVPCKAY-UHFFFAOYSA-N	-2	0	306.300	-0.139	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(=O)[O-])n1	ZINC000600665017	382636369	/nfs/dbraw/zinc/63/63/69/382636369.db2.gz	LGZZMTVFBIQKDD-NKWVEPMBSA-N	-2	0	318.311	-0.140	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C2CC2)n1	ZINC000600664855	382636412	/nfs/dbraw/zinc/63/64/12/382636412.db2.gz	ITWOWKIXDQBDCJ-SNVBAGLBSA-N	-2	0	318.311	-0.140	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)n1	ZINC000600653483	382636418	/nfs/dbraw/zinc/63/64/18/382636418.db2.gz	IPMZKRBJHLEMDM-UHFFFAOYSA-N	-2	0	304.284	-0.386	20	5		DBBDRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)c1cc([N+](=O)[O-])cs1	ZINC000739932734	600441075	/nfs/dbraw/zinc/44/10/75/600441075.db2.gz	PNCHTXPBQVFJKQ-UHFFFAOYSA-N	-2	0	309.281	-0.271	20	5		DBBDRL
Cn1cc([N+](=O)[O-])cc1C(=O)[N-]S(=O)(=O)CCCC(=O)[O-]	ZINC000739039175	600461637	/nfs/dbraw/zinc/46/16/37/600461637.db2.gz	OJTRDFXQGLBZPW-UHFFFAOYSA-N	-2	0	319.295	-0.142	20	5		DBBDRL
O=C([O-])c1ncn(CC(=O)[N-]C(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000739360809	600475105	/nfs/dbraw/zinc/47/51/05/600475105.db2.gz	HPWLQZZVJQPDML-UHFFFAOYSA-N	-2	0	319.233	-0.159	20	5		DBBDRL
NC(=O)c1nc(NCCOP(=O)([O-])[O-])ccc1[N+](=O)[O-]	ZINC001168587623	833325584	/nfs/dbraw/zinc/32/55/84/833325584.db2.gz	SOVGSGAYLGFNON-UHFFFAOYSA-N	-2	0	306.171	-0.390	20	5		DBBDRL
O=C([O-])C[C@@H](C(=O)Oc1ncccc1[N+](=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001225595765	979600631	/nfs/dbraw/zinc/60/06/31/979600631.db2.gz	LGZFUTUPYFUJFC-SVGQVSJJSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
O=C([O-])C[C@H](O)C(=O)Oc1[n-]c(=O)nc2ccc([N+](=O)[O-])cc21	ZINC001227095852	979660742	/nfs/dbraw/zinc/66/07/42/979660742.db2.gz	KXAURDQTIFBJFD-QMMMGPOBSA-N	-2	0	323.217	-0.015	20	5		DBBDRL
Cc1cnc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c([N+](=O)[O-])c1	ZINC001227237859	979664019	/nfs/dbraw/zinc/66/40/19/979664019.db2.gz	YRTLTINTPIJERX-SSDOTTSWSA-N	-2	0	322.166	-0.326	20	5		DBBDRL
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001601940772	1017896748	/nfs/dbraw/zinc/89/67/48/1017896748.db2.gz	IPUWVFUJBSTPKZ-VIFPVBQESA-N	-2	0	323.261	-0.284	20	5		DBBDRL
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC001602203547	1017975919	/nfs/dbraw/zinc/97/59/19/1017975919.db2.gz	LTWOHVRFDDXDBF-IONNQARKSA-N	-2	0	317.279	-0.490	20	5		DBBDRL
Cc1cc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c([N+](=O)[O-])s1	ZINC001607706992	1019038797	/nfs/dbraw/zinc/03/87/97/1019038797.db2.gz	QOVZXSKPJVRVQU-YFKPBYRVSA-N	-2	0	310.309	-0.311	20	5		DBBDRL
O=C([O-])C[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000093091643	283560275	/nfs/dbraw/zinc/56/02/75/283560275.db2.gz	AAVZAXHDSZKDFT-ZCFIWIBFSA-N	-2	0	318.263	-0.199	20	5		DBBDRL
CN(CC(=O)[O-])S(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000547777022	380144887	/nfs/dbraw/zinc/14/48/87/380144887.db2.gz	PCHRHILNYLZDQN-UHFFFAOYSA-N	-2	0	318.263	-0.002	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(=O)[O-])n1	ZINC000600665018	382636135	/nfs/dbraw/zinc/63/61/35/382636135.db2.gz	LGZZMTVFBIQKDD-RQJHMYQMSA-N	-2	0	318.311	-0.140	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C2CC2)n1	ZINC000600664851	382636144	/nfs/dbraw/zinc/63/61/44/382636144.db2.gz	ITWOWKIXDQBDCJ-JTQLQIEISA-N	-2	0	318.311	-0.140	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)n1	ZINC000600654947	382636317	/nfs/dbraw/zinc/63/63/17/382636317.db2.gz	FSFJHLXGNXDXDZ-UHFFFAOYSA-N	-2	0	318.311	-0.139	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)n1	ZINC000600655158	382636351	/nfs/dbraw/zinc/63/63/51/382636351.db2.gz	KCHYTRDKSXUINX-SSDOTTSWSA-N	-2	0	304.284	-0.530	20	5		DBBDRL
O=C([O-])[C@H](CCO)[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000275092397	392150158	/nfs/dbraw/zinc/15/01/58/392150158.db2.gz	PHNSFWFSNRPIDQ-ZETCQYMHSA-N	-2	0	322.270	-0.152	20	5		DBBDRL
C[C@H](O)[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274977763	525842943	/nfs/dbraw/zinc/84/29/43/525842943.db2.gz	XJPCEYUTCRBTOC-XNCJUZBTSA-N	-2	0	322.270	-0.154	20	5		DBBDRL
C[C@@H](CC(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000827303387	602195539	/nfs/dbraw/zinc/19/55/39/602195539.db2.gz	FECBHGFXWMEILU-LURJTMIESA-N	-2	0	317.279	-0.095	20	5		DBBDRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000833279482	604733716	/nfs/dbraw/zinc/73/37/16/604733716.db2.gz	VDNCDCXYHDPMPD-UHFFFAOYSA-N	-2	0	321.242	-0.194	20	5		DBBDRL
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC000863964058	806383774	/nfs/dbraw/zinc/38/37/74/806383774.db2.gz	CVRZBCYLHRCMPQ-UHFFFAOYSA-N	-2	0	317.279	-0.095	20	5		DBBDRL
COc1nc(NCCOP(=O)([O-])[O-])nc(OC)c1[N+](=O)[O-]	ZINC001157791453	832063481	/nfs/dbraw/zinc/06/34/81/832063481.db2.gz	OVWUTRPMLMOBHO-UHFFFAOYSA-N	-2	0	324.186	-0.077	20	5		DBBDRL
O=C([O-])c1cccc(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])c1	ZINC001610850029	1019742632	/nfs/dbraw/zinc/74/26/32/1019742632.db2.gz	YWHJREMVLYIKDT-RKDXNWHRSA-N	-2	0	314.275	-0.145	20	5		DBBDRL
C[C@](O)(C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000261677386	374587342	/nfs/dbraw/zinc/58/73/42/374587342.db2.gz	MANLQJWFYALDGL-JTQLQIEISA-N	-2	0	322.270	-0.152	20	5		DBBDRL
CCC[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600650825	382636009	/nfs/dbraw/zinc/63/60/09/382636009.db2.gz	CHMPNFFCWFILFH-ZCFIWIBFSA-N	-2	0	306.300	-0.140	20	5		DBBDRL
COC[C@@](C)([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600664907	382636121	/nfs/dbraw/zinc/63/61/21/382636121.db2.gz	JMSVJILSNHJXOH-SECBINFHSA-N	-2	0	322.299	-0.904	20	5		DBBDRL
CCn1cc(S(=O)(=O)[N-][C@@H](CF)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000567809431	341634452	/nfs/dbraw/zinc/63/44/52/341634452.db2.gz	UFCQYDZNYVTEDR-YFKPBYRVSA-N	-2	0	310.263	-0.488	20	5		DBBDRL
Cn1c(C(=O)[N-]S(=O)(=O)CCCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC000739002761	600460773	/nfs/dbraw/zinc/46/07/73/600460773.db2.gz	FGJLVJCZNCMHEU-UHFFFAOYSA-N	-2	0	319.295	-0.142	20	5		DBBDRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	ZINC000833777621	605096099	/nfs/dbraw/zinc/09/60/99/605096099.db2.gz	ZJGHDDNTOHBRQJ-UHFFFAOYSA-N	-2	0	321.242	-0.194	20	5		DBBDRL
O=C([O-])C[C@H](C(=O)Oc1cccnc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225629823	979600705	/nfs/dbraw/zinc/60/07/05/979600705.db2.gz	SARLAWZQLGXFRW-XNCJUZBTSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
O=C([O-])C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cn1)[C@H](O)C(=O)[O-]	ZINC001225634575	979601457	/nfs/dbraw/zinc/60/14/57/979601457.db2.gz	IESQAYMEWWOXPY-MUWHJKNJSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
O=C(Oc1ccc([N+](=O)[O-])cn1)[C@H](O)COP(=O)([O-])[O-]	ZINC001225634742	979601678	/nfs/dbraw/zinc/60/16/78/979601678.db2.gz	NRZIVGLTSNCYGM-ZCFIWIBFSA-N	-2	0	308.139	-0.635	20	5		DBBDRL
O=C([O-])C[C@H](C(=O)Oc1ccc([N+](=O)[O-])cn1)[C@@H](O)C(=O)[O-]	ZINC001225634574	979601694	/nfs/dbraw/zinc/60/16/94/979601694.db2.gz	IESQAYMEWWOXPY-IMTBSYHQSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
O=C(Oc1c(O)cccc1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001226340168	979630737	/nfs/dbraw/zinc/63/07/37/979630737.db2.gz	NJTFLTYUDJUAKC-SSDOTTSWSA-N	-2	0	323.150	-0.324	20	5		DBBDRL
CN1C[C@@H](C(=O)[O-])N(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1=O	ZINC001598562884	1017304632	/nfs/dbraw/zinc/30/46/32/1017304632.db2.gz	MXVXUIWNIFBKAS-VIFPVBQESA-N	-2	0	323.261	-0.332	20	5		DBBDRL
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-]	ZINC001601940771	1017896539	/nfs/dbraw/zinc/89/65/39/1017896539.db2.gz	IPUWVFUJBSTPKZ-SECBINFHSA-N	-2	0	323.261	-0.284	20	5		DBBDRL
Cc1c(CC(=O)[N-]S(=O)(=O)CC(=O)[O-])cccc1[N+](=O)[O-]	ZINC001610414413	1019678880	/nfs/dbraw/zinc/67/88/80/1019678880.db2.gz	BSOSWQRJEKFMTE-UHFFFAOYSA-N	-2	0	316.291	-0.024	20	5		DBBDRL
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001610760007	1019732303	/nfs/dbraw/zinc/73/23/03/1019732303.db2.gz	RWGPLTHCFUXMSU-VIFPVBQESA-N	-2	0	323.261	-0.284	20	5		DBBDRL
C[C@@](O)(C[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000261677388	374588348	/nfs/dbraw/zinc/58/83/48/374588348.db2.gz	MANLQJWFYALDGL-SNVBAGLBSA-N	-2	0	322.270	-0.152	20	5		DBBDRL
CCn1cc(S(=O)(=O)NCCCC(=O)[O-])c([N+](=O)[O-])n1	ZINC000340427868	375085380	/nfs/dbraw/zinc/08/53/80/375085380.db2.gz	WAKHKIAQIKZFED-UHFFFAOYSA-N	-2	0	306.300	-0.046	20	5		DBBDRL
CCn1cc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c([N+](=O)[O-])n1	ZINC000567809430	376302154	/nfs/dbraw/zinc/30/21/54/376302154.db2.gz	UFCQYDZNYVTEDR-RXMQYKEDSA-N	-2	0	310.263	-0.488	20	5		DBBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000093091642	382583399	/nfs/dbraw/zinc/58/33/99/382583399.db2.gz	AAVZAXHDSZKDFT-LURJTMIESA-N	-2	0	318.263	-0.199	20	5		DBBDRL
CC(C)[C@@H](C[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600656922	382636156	/nfs/dbraw/zinc/63/61/56/382636156.db2.gz	YLDWMGFSHNGALH-SSDOTTSWSA-N	-2	0	320.327	-0.037	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)n1	ZINC000600655148	382636160	/nfs/dbraw/zinc/63/61/60/382636160.db2.gz	JNUZCMJLVSSXMC-RQJHMYQMSA-N	-2	0	316.295	-0.364	20	5		DBBDRL
CC[C@@](C)([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000600664536	382636247	/nfs/dbraw/zinc/63/62/47/382636247.db2.gz	AIOHUDTUCSHTMW-SECBINFHSA-N	-2	0	306.300	-0.140	20	5		DBBDRL
C[C@@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@@H](C)C(=O)[O-]	ZINC000600658321	382636425	/nfs/dbraw/zinc/63/64/25/382636425.db2.gz	MKWDWHKYEGIUHP-PHDIDXHHSA-N	-2	0	306.300	-0.284	20	5		DBBDRL
C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2nn(C)cc2[N+](=O)[O-])CC1	ZINC000600661126	382636442	/nfs/dbraw/zinc/63/64/42/382636442.db2.gz	WUBPXEJCSVQLIG-LURJTMIESA-N	-2	0	318.311	-0.140	20	5		DBBDRL
C[C@H](O)[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274977767	391906041	/nfs/dbraw/zinc/90/60/41/391906041.db2.gz	XJPCEYUTCRBTOC-YLWLKBPMSA-N	-2	0	322.270	-0.154	20	5		DBBDRL
O=C([O-])Cn1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])nn1	ZINC000352019421	392157285	/nfs/dbraw/zinc/15/72/85/392157285.db2.gz	BRKIAEKEEAELNI-OWOJBTEDSA-N	-2	0	308.210	-0.358	20	5		DBBDRL
O=C([O-])NCC(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])nc1	ZINC000833279457	601143942	/nfs/dbraw/zinc/14/39/42/601143942.db2.gz	KJTUVWFCHBAGRF-UHFFFAOYSA-N	-2	0	304.240	-0.938	20	5		DBBDRL
CC(C)(C(=O)[O-])C(=O)[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cn1	ZINC000863966224	806384731	/nfs/dbraw/zinc/38/47/31/806384731.db2.gz	SOWSJCDKVWVEPG-UHFFFAOYSA-N	-2	0	317.279	-0.095	20	5		DBBDRL
O=C([O-])C(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1	ZINC001594828163	953954517	/nfs/dbraw/zinc/95/45/17/953954517.db2.gz	CRHKGHYBRSVCRD-UHFFFAOYSA-N	-2	0	323.261	-0.331	20	5		DBBDRL
O=C(Oc1cccnc1[N+](=O)[O-])[C@H](O)COP(=O)([O-])[O-]	ZINC001225634084	979600847	/nfs/dbraw/zinc/60/08/47/979600847.db2.gz	ZMXGXPSJWOBLCK-RXMQYKEDSA-N	-2	0	308.139	-0.635	20	5		DBBDRL
O=C([O-])C[C@H](C(=O)Oc1ncccc1[N+](=O)[O-])[C@H](O)C(=O)[O-]	ZINC001225595766	979601023	/nfs/dbraw/zinc/60/10/23/979601023.db2.gz	LGZFUTUPYFUJFC-XNCJUZBTSA-N	-2	0	314.206	-0.568	20	5		DBBDRL
Cn1c(C(=O)[N-]S(=O)(=O)CCC(=O)[O-])ccc1[N+](=O)[O-]	ZINC001600898423	1017740523	/nfs/dbraw/zinc/74/05/23/1017740523.db2.gz	CXUVRCPGCPHAHX-UHFFFAOYSA-N	-2	0	305.268	-0.532	20	5		DBBDRL
O=C([O-])C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC001601942646	1017896260	/nfs/dbraw/zinc/89/62/60/1017896260.db2.gz	STJCCPHQEHNCNC-VIFPVBQESA-N	-2	0	323.261	-0.284	20	5		DBBDRL
O=C([O-])[C@@H]1OCC[C@@H]1NS(=O)(=O)c1cccnc1[N+](=O)[O-]	ZINC001602203725	1017978008	/nfs/dbraw/zinc/97/80/08/1017978008.db2.gz	WQYKHDWVMVCETQ-POYBYMJQSA-N	-2	0	317.279	-0.490	20	5		DBBDRL
C[C@H](/C=C\C(=O)[O-])[N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-]	ZINC001604060806	1018286716	/nfs/dbraw/zinc/28/67/16/1018286716.db2.gz	ONBSJOCWFWXXAJ-KGJQDRRLSA-N	-2	0	304.284	-0.364	20	5		DBBDRL
O=C([O-])C[C@@H]1C(=O)NCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1	ZINC001610760006	1019730941	/nfs/dbraw/zinc/73/09/41/1019730941.db2.gz	RWGPLTHCFUXMSU-SECBINFHSA-N	-2	0	323.261	-0.284	20	5		DBBDRL
C[C@H]([N-]S(=O)(=O)c1nn(C)cc1[N+](=O)[O-])[C@H](C)C(=O)[O-]	ZINC000600658338	377073571	/nfs/dbraw/zinc/07/35/71/377073571.db2.gz	MKWDWHKYEGIUHP-WDSKDSINSA-N	-2	0	306.300	-0.284	20	5		DBBDRL
O=C([O-])C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000093091640	382583530	/nfs/dbraw/zinc/58/35/30/382583530.db2.gz	REUJFOZSUZEJOR-QMMMGPOBSA-N	-2	0	318.263	-0.199	20	5		DBBDRL
Cn1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])C2)n1	ZINC000600665131	382636251	/nfs/dbraw/zinc/63/62/51/382636251.db2.gz	MRBBSUJZDDLQFT-OLQVQODUSA-N	-2	0	304.284	-0.530	20	5		DBBDRL
C[C@@H](O)[C@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(=O)[O-]	ZINC000274977765	391905834	/nfs/dbraw/zinc/90/58/34/391905834.db2.gz	XJPCEYUTCRBTOC-XRGYYRRGSA-N	-2	0	322.270	-0.154	20	5		DBBDRL
O=C([O-])CCCS(=O)(=O)[N-]C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000739693078	600461561	/nfs/dbraw/zinc/46/15/61/600461561.db2.gz	VCLPJOBYYXBRPK-UHFFFAOYSA-N	-2	0	305.268	-0.153	20	5		DBBDRL
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