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-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H](O)C2)c1	ZINC000694183875	976677995	/nfs/dbraw/zinc/67/79/95/976677995.db2.gz	SDZBNMISMJZYPT-PSASIEDQSA-N	-2	3	303.336	0.807	10	0		DCAEHL
O=C([O-])c1ccc(NC(=O)CNC(=O)c2ccccn2)c([O-])c1	ZINC000090636070	185307724	/nfs/dbraw/zinc/30/77/24/185307724.db2.gz	FPZODJQVNBHHPM-UHFFFAOYSA-N	-2	3	315.285	0.854	10	0		DCAEHL
O=P([O-])([O-])C(O)(Cc1ccc(Cl)cc1)P(=O)([O-])[O-]	ZINC000039419659	183018843	/nfs/dbraw/zinc/01/88/43/183018843.db2.gz	MLRLLSRGLQXHLC-UHFFFAOYSA-N	-4	3	316.570	0.884	10	0		DCAEHL
O=C([O-])c1n[n-]c(S(=O)(=O)[N-]c2c(F)cccc2F)n1	ZINC000504244954	257132638	/nfs/dbraw/zinc/13/26/38/257132638.db2.gz	FJGJRFAHRSOXIE-UHFFFAOYSA-N	-3	3	304.234	0.582	10	0		DCAEHL
Cc1ccccc1CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000110286845	395800992	/nfs/dbraw/zinc/80/09/92/395800992.db2.gz	YXBLEOAESMZDKP-UHFFFAOYSA-N	-2	3	309.347	0.937	10	0		DCAEHL
Cn1cc([C@@H]([N-]S(=O)(=O)c2cncc(F)c2)C(=O)[O-])cn1	ZINC000130814830	395923350	/nfs/dbraw/zinc/92/33/50/395923350.db2.gz	CIOCDHHGVZQDOL-SNVBAGLBSA-N	-2	3	314.298	0.058	10	0		DCAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]C[C@@H]2[C@H]3COC[C@H]32)s1	ZINC000375588346	396775967	/nfs/dbraw/zinc/77/59/67/396775967.db2.gz	RSHMFBPONWOYPK-OWUUHHOZSA-N	-2	3	317.388	0.546	10	0		DCAEHL
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1	ZINC000386847345	397290973	/nfs/dbraw/zinc/29/09/73/397290973.db2.gz	XJMOIFZLFZXXDL-HTQZYQBOSA-N	-2	3	303.340	0.201	10	0		DCAEHL
CS(=O)(=O)[N-]c1nnc(NC(=O)c2cccc([O-])c2)s1	ZINC000357347453	416065738	/nfs/dbraw/zinc/06/57/38/416065738.db2.gz	OMMZLXPWNAYMLA-UHFFFAOYSA-N	-2	3	314.348	0.868	10	0		DCAEHL
CCc1cccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c1[O-]	ZINC000531431961	417621569	/nfs/dbraw/zinc/62/15/69/417621569.db2.gz	DCEXYIBMWQUWJO-UHFFFAOYSA-N	-2	3	310.335	0.729	10	0		DCAEHL
CCc1cccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c1[O-]	ZINC000531431961	417621575	/nfs/dbraw/zinc/62/15/75/417621575.db2.gz	DCEXYIBMWQUWJO-UHFFFAOYSA-N	-2	3	310.335	0.729	10	0		DCAEHL
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000530155104	417546190	/nfs/dbraw/zinc/54/61/90/417546190.db2.gz	WKWLXDHVXAGGMK-RULNZFCNSA-N	-2	3	320.392	0.932	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@@H](C)c2nc(C(=O)[O-])cs2)c[nH]1	ZINC000090940960	545716290	/nfs/dbraw/zinc/71/62/90/545716290.db2.gz	XNGJPCWXSQITLM-YFKPBYRVSA-N	-2	3	316.364	0.912	10	0		DCAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)o1	ZINC000691319994	976353012	/nfs/dbraw/zinc/35/30/12/976353012.db2.gz	YQOIAXVCAMNVOK-WPRPVWTQSA-N	-2	3	301.320	0.824	10	0		DCAEHL
CC(C)[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(N)=O	ZINC000694195125	976679297	/nfs/dbraw/zinc/67/92/97/976679297.db2.gz	XYGBLMRXECPNEE-LLVKDONJSA-N	-2	3	304.324	0.156	10	0		DCAEHL
Cc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2)s1	ZINC000230095265	395877883	/nfs/dbraw/zinc/87/78/83/395877883.db2.gz	BGYIPLZTOKOIGJ-SECBINFHSA-N	-2	3	316.364	0.289	10	0		DCAEHL
CNC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211216	976682513	/nfs/dbraw/zinc/68/25/13/976682513.db2.gz	YBCYSSCKZLDYMI-UHFFFAOYSA-N	-2	3	304.324	0.028	10	0		DCAEHL
Cc1noc(C)c1S(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1	ZINC000090932949	192954038	/nfs/dbraw/zinc/95/40/38/192954038.db2.gz	CDZXOASVJYWRCD-UHFFFAOYSA-N	-2	3	317.348	0.925	10	0		DCAEHL
O=C([O-])c1csc(C[N-]S(=O)(=O)C[C@@H]2CCCO2)n1	ZINC000090932905	395720228	/nfs/dbraw/zinc/72/02/28/395720228.db2.gz	MEZCBEPTLRVVON-ZETCQYMHSA-N	-2	3	306.365	0.440	10	0		DCAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]CC[C@]2(O)CCOC2)c1	ZINC000403150235	417114994	/nfs/dbraw/zinc/11/49/94/417114994.db2.gz	ZBIYPXOLQLFFBK-NSHDSACASA-N	-2	3	321.376	0.266	10	0		DCAEHL
CS[C@H]1CC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000235278496	658246039	/nfs/dbraw/zinc/24/60/39/658246039.db2.gz	AUIIUQBKYCEHAA-RQJHMYQMSA-N	-2	3	305.381	0.670	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])c1	ZINC000164838474	291247445	/nfs/dbraw/zinc/24/74/45/291247445.db2.gz	BHAYEHUFVXCMOC-BXKDBHETSA-N	-2	3	301.368	0.825	10	0		DCAEHL
COC(=O)CCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F	ZINC000042340048	183256033	/nfs/dbraw/zinc/25/60/33/183256033.db2.gz	WMDUBZPMNFMCFH-UHFFFAOYSA-N	-2	3	305.283	0.829	10	0		DCAEHL
C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@H]1CCCO1	ZINC000134675434	545802242	/nfs/dbraw/zinc/80/22/42/545802242.db2.gz	VNWXTFNNKDQQMS-NKWVEPMBSA-N	-2	3	306.365	0.687	10	0		DCAEHL
CC(C)CC[N@H+](C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000077300678	396218132	/nfs/dbraw/zinc/21/81/32/396218132.db2.gz	MLRSIOJLRIYILW-UHFFFAOYSA-N	-3	3	319.231	0.356	10	0	in-vitro	DCAEHL
CC(C)CC[N@@H+](C)CCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000077300678	396218133	/nfs/dbraw/zinc/21/81/33/396218133.db2.gz	MLRSIOJLRIYILW-UHFFFAOYSA-N	-3	3	319.231	0.356	10	0	in-vitro	DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c1	ZINC000312733165	396766311	/nfs/dbraw/zinc/76/63/11/396766311.db2.gz	WKFGGPUMFBTWOX-ZCFIWIBFSA-N	-2	3	315.273	0.587	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c[nH]1	ZINC000090932916	286935654	/nfs/dbraw/zinc/93/56/54/286935654.db2.gz	CUJKFTHHBBZZQE-UHFFFAOYSA-N	-2	3	302.337	0.351	10	0		DCAEHL
CCCSC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-]	ZINC000547921611	288092592	/nfs/dbraw/zinc/09/25/92/288092592.db2.gz	FYKYQQPDPZGQPV-MRVPVSSYSA-N	-2	3	307.397	0.593	10	0		DCAEHL
CCCc1nc(=NC(=O)CNC(=O)c2ccc([O-])cc2)s[n-]1	ZINC000551050179	288222449	/nfs/dbraw/zinc/22/24/49/288222449.db2.gz	BINGAKGNQNAFQZ-UHFFFAOYSA-N	-2	3	320.374	0.987	10	0		DCAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CSCCS1	ZINC000229582352	664605603	/nfs/dbraw/zinc/60/56/03/664605603.db2.gz	TULLBQMRCFDCOE-LURJTMIESA-N	-2	3	323.421	0.235	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])cn1C	ZINC000164856233	291247768	/nfs/dbraw/zinc/24/77/68/291247768.db2.gz	SVGCORFVLWVGQB-JOYOIKCWSA-N	-2	3	301.368	0.650	10	0		DCAEHL
O=C([O-])[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1c[nH]cn1	ZINC000128927521	395919120	/nfs/dbraw/zinc/91/91/20/395919120.db2.gz	RYESZOBPLSILFM-NSHDSACASA-N	-2	3	309.347	0.774	10	0		DCAEHL
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-]	ZINC000147270739	395966667	/nfs/dbraw/zinc/96/66/67/395966667.db2.gz	WFRFEWNNVCNWLD-ZETCQYMHSA-N	-2	3	321.376	0.924	10	0		DCAEHL
CS(=O)(=O)c1nc(NC(=O)c2c([O-])cccc2Cl)n[n-]1	ZINC000733360078	666503780	/nfs/dbraw/zinc/50/37/80/666503780.db2.gz	APOXPCZIRPPOSX-UHFFFAOYSA-N	-2	3	316.726	0.820	10	0		DCAEHL
CS(=O)(=O)c1n[n-]c(NC(=O)c2c([O-])cccc2Cl)n1	ZINC000733360078	666503783	/nfs/dbraw/zinc/50/37/83/666503783.db2.gz	APOXPCZIRPPOSX-UHFFFAOYSA-N	-2	3	316.726	0.820	10	0		DCAEHL
CS(=O)(=O)c1nnc(NC(=O)c2c([O-])cccc2Cl)[n-]1	ZINC000733360078	666503787	/nfs/dbraw/zinc/50/37/87/666503787.db2.gz	APOXPCZIRPPOSX-UHFFFAOYSA-N	-2	3	316.726	0.820	10	0		DCAEHL
CCN(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211282	976682060	/nfs/dbraw/zinc/68/20/60/976682060.db2.gz	YXXMQBAKSRIKDF-ZETCQYMHSA-N	-2	3	304.324	0.123	10	0		DCAEHL
CCc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c([O-])c1	ZINC000436853908	416570937	/nfs/dbraw/zinc/57/09/37/416570937.db2.gz	DKSKGPIGADDUIK-UHFFFAOYSA-N	-2	3	310.335	0.729	10	0		DCAEHL
CCc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c([O-])c1	ZINC000436853908	416570940	/nfs/dbraw/zinc/57/09/40/416570940.db2.gz	DKSKGPIGADDUIK-UHFFFAOYSA-N	-2	3	310.335	0.729	10	0		DCAEHL
CCc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c([O-])c1	ZINC000436853908	416570944	/nfs/dbraw/zinc/57/09/44/416570944.db2.gz	DKSKGPIGADDUIK-UHFFFAOYSA-N	-2	3	310.335	0.729	10	0		DCAEHL
O=C([O-])C1([N-]S(=O)(=O)c2cncc(F)c2)CCOCC1	ZINC000131784039	545792020	/nfs/dbraw/zinc/79/20/20/545792020.db2.gz	RJAZFOGUAGBBEI-UHFFFAOYSA-N	-2	3	304.299	0.133	10	0		DCAEHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]CCOC1CCC1	ZINC000690691992	976327697	/nfs/dbraw/zinc/32/76/97/976327697.db2.gz	FVCDKDDBPILGLV-UHFFFAOYSA-N	-2	3	306.365	0.689	10	0		DCAEHL
O=C([O-])CNC(=O)C[C@@H]1SC(=O)N(c2ccc([O-])cc2)C1=O	ZINC000016905775	182064785	/nfs/dbraw/zinc/06/47/85/182064785.db2.gz	HQFUQQMTOSVLLA-VIFPVBQESA-N	-2	3	324.314	0.552	10	0		DCAEHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-]	ZINC000037405898	395726549	/nfs/dbraw/zinc/72/65/49/395726549.db2.gz	YHTJDSNNJIDOKD-MLUIRONXSA-N	-2	3	311.718	0.591	10	0		DCAEHL
CCOC(=O)CCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1[O-]	ZINC000049064128	395827722	/nfs/dbraw/zinc/82/77/22/395827722.db2.gz	MEGLMFZFMXUSNP-UHFFFAOYSA-N	-3	3	317.319	0.785	10	0		DCAEHL
Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2c[nH]cn2)C(=O)[O-])s1	ZINC000230012490	395877516	/nfs/dbraw/zinc/87/75/16/395877516.db2.gz	WVDUEJZQFDPQPE-QMMMGPOBSA-N	-2	3	316.364	0.149	10	0		DCAEHL
Cc1ncc(S(=O)(=O)[N-][C@@H](Cc2cnc[nH]2)C(=O)[O-])s1	ZINC000230012490	395877520	/nfs/dbraw/zinc/87/75/20/395877520.db2.gz	WVDUEJZQFDPQPE-QMMMGPOBSA-N	-2	3	316.364	0.149	10	0		DCAEHL
C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000149338557	395969383	/nfs/dbraw/zinc/96/93/83/395969383.db2.gz	BUARDEJOPAZOKM-GMSGAONNSA-N	-2	3	303.311	0.980	10	0		DCAEHL
Cn1cnc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1	ZINC000313199631	416107651	/nfs/dbraw/zinc/10/76/51/416107651.db2.gz	QPELEGCJJUJNLU-UHFFFAOYSA-N	-2	3	315.376	0.701	10	0		DCAEHL
C[C@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CC[C@@H](C(=O)[O-])C1	ZINC000246165240	526207351	/nfs/dbraw/zinc/20/73/51/526207351.db2.gz	AQHFNATYJSDSHV-DEHLGRJESA-N	-2	3	306.366	0.621	10	0		DCAEHL
C[C@@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(C(=O)[O-])cs1	ZINC000090941395	545716682	/nfs/dbraw/zinc/71/66/82/545716682.db2.gz	CRRGYLYHHPGAPY-ZCFIWIBFSA-N	-2	3	316.364	0.614	10	0		DCAEHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-]	ZINC000036968853	395725088	/nfs/dbraw/zinc/72/50/88/395725088.db2.gz	VWOMBBHZBBVEPF-MLUIRONXSA-N	-2	3	311.718	0.591	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000092890155	395734060	/nfs/dbraw/zinc/73/40/60/395734060.db2.gz	DCISIEWYBZJRDI-ZJUUUORDSA-N	-2	3	301.368	0.825	10	0		DCAEHL
CS(=O)(=O)c1nc(NC(=O)c2cc(F)ccc2[O-])n[n-]1	ZINC000436925791	416575265	/nfs/dbraw/zinc/57/52/65/416575265.db2.gz	JRVCXUGKQIUUMZ-UHFFFAOYSA-N	-2	3	300.271	0.305	10	0		DCAEHL
CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(F)ccc2[O-])n1	ZINC000436925791	416575270	/nfs/dbraw/zinc/57/52/70/416575270.db2.gz	JRVCXUGKQIUUMZ-UHFFFAOYSA-N	-2	3	300.271	0.305	10	0		DCAEHL
CS(=O)(=O)c1nnc(NC(=O)c2cc(F)ccc2[O-])[n-]1	ZINC000436925791	416575273	/nfs/dbraw/zinc/57/52/73/416575273.db2.gz	JRVCXUGKQIUUMZ-UHFFFAOYSA-N	-2	3	300.271	0.305	10	0		DCAEHL
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000530155105	417546986	/nfs/dbraw/zinc/54/69/86/417546986.db2.gz	WKWLXDHVXAGGMK-ULAWRXDQSA-N	-2	3	320.392	0.932	10	0		DCAEHL
NS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc([O-])c2)c1	ZINC000357490081	416088237	/nfs/dbraw/zinc/08/82/37/416088237.db2.gz	QSRHVKOHCLEVSI-UHFFFAOYSA-N	-2	3	308.315	0.998	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]C[C@@H](Cc2ccccn2)C(=O)[O-])c[nH]1	ZINC000547554411	288057481	/nfs/dbraw/zinc/05/74/81/288057481.db2.gz	SVISRULCWLZVCX-SNVBAGLBSA-N	-2	3	324.362	0.335	10	0		DCAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)o1	ZINC000691319993	976353221	/nfs/dbraw/zinc/35/32/21/976353221.db2.gz	YQOIAXVCAMNVOK-WCBMZHEXSA-N	-2	3	301.320	0.824	10	0		DCAEHL
[NH3+]CCCCCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000166070077	396088623	/nfs/dbraw/zinc/08/86/23/396088623.db2.gz	LEWJCGSLUNRPMZ-UHFFFAOYSA-N	-3	3	305.204	0.287	10	0		DCAEHL
O=C([O-])[C@]1(C[N-]S(=O)(=O)c2cccs2)CCCOC1	ZINC000630432125	397019669	/nfs/dbraw/zinc/01/96/69/397019669.db2.gz	KWANOUNLDUXOAH-NSHDSACASA-N	-2	3	305.377	0.908	10	0		DCAEHL
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CCCO1	ZINC000408484180	160118601	/nfs/dbraw/zinc/11/86/01/160118601.db2.gz	DGZSOVJQYAELNQ-GFCCVEGCSA-N	-2	3	310.335	0.332	10	0		DCAEHL
COc1ccc2c(c1)[n-]cc(C(=O)NCc1n[nH]c(=O)[n-]1)c2=O	ZINC000359830669	416361529	/nfs/dbraw/zinc/36/15/29/416361529.db2.gz	KISKDKLVERTEFP-UHFFFAOYSA-N	-2	3	315.289	0.290	10	0		DCAEHL
COC(=O)c1sccc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1	ZINC000575053613	417504080	/nfs/dbraw/zinc/50/40/80/417504080.db2.gz	RYOQFSMXBAXYDC-LJGSYFOKSA-N	-2	3	319.360	0.676	10	0		DCAEHL
C[C@@H](C1CC1)n1[n-]cc/c1=N\C(=O)CN1CC[C@@H](C(=O)[O-])C1	ZINC000246165233	524326570	/nfs/dbraw/zinc/32/65/70/524326570.db2.gz	AQHFNATYJSDSHV-APMVHDFESA-N	-2	3	306.366	0.621	10	0		DCAEHL
CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000044615332	545651605	/nfs/dbraw/zinc/65/16/05/545651605.db2.gz	AWFSGWBYWKBVKL-NSHDSACASA-N	-2	3	314.363	0.993	10	0		DCAEHL
O=C([O-])[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cncc(F)c1	ZINC000089427184	545713555	/nfs/dbraw/zinc/71/35/55/545713555.db2.gz	LCXZTOOZXWRTFO-LDYMZIIASA-N	-2	3	302.327	1.000	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2O)c1	ZINC000645975340	417839541	/nfs/dbraw/zinc/83/95/41/417839541.db2.gz	YIXFHXRTRAZDQR-WCBMZHEXSA-N	-2	3	303.336	0.807	10	0		DCAEHL
Nc1cc(=O)[n-]n1S(=O)(=O)c1ccc([O-])c2ncccc12	ZINC000205552242	395834838	/nfs/dbraw/zinc/83/48/38/395834838.db2.gz	VODGEERWOIOIKE-UHFFFAOYSA-N	-2	3	306.303	0.249	10	0		DCAEHL
CCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-]	ZINC000262636783	396166083	/nfs/dbraw/zinc/16/60/83/396166083.db2.gz	GIVZFAICWRCDIQ-VIFPVBQESA-N	-2	3	319.335	0.906	10	0		DCAEHL
CCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)OC)c(C)o1)C(=O)[O-]	ZINC000262636779	396166279	/nfs/dbraw/zinc/16/62/79/396166279.db2.gz	GIVZFAICWRCDIQ-SECBINFHSA-N	-2	3	319.335	0.906	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)(F)F)c[nH]1	ZINC000560417966	396613978	/nfs/dbraw/zinc/61/39/78/396613978.db2.gz	KWGBRVXGECXKSU-LURJTMIESA-N	-2	3	315.273	0.650	10	0		DCAEHL
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1	ZINC000386847356	397291024	/nfs/dbraw/zinc/29/10/24/397291024.db2.gz	XJMOIFZLFZXXDL-SFYZADRCSA-N	-2	3	303.340	0.201	10	0		DCAEHL
CCCSC[C@H]([N-]S(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-]	ZINC000547921613	288092608	/nfs/dbraw/zinc/09/26/08/288092608.db2.gz	FYKYQQPDPZGQPV-QMMMGPOBSA-N	-2	3	307.397	0.593	10	0		DCAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC1SCCS1	ZINC000693376827	976609285	/nfs/dbraw/zinc/60/92/85/976609285.db2.gz	YLUMTPRZEOEUBD-UHFFFAOYSA-N	-2	3	309.394	0.192	10	0		DCAEHL
C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ncn(C)n1	ZINC000694172086	976674597	/nfs/dbraw/zinc/67/45/97/976674597.db2.gz	GZAWJCUGERMVKS-ZCFIWIBFSA-N	-2	3	300.296	0.146	10	0		DCAEHL
CC(C)NC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211366	976682304	/nfs/dbraw/zinc/68/23/04/976682304.db2.gz	ZSANRMOTSUQAOB-ZETCQYMHSA-N	-2	3	304.324	0.169	10	0		DCAEHL
C[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000149338902	545810521	/nfs/dbraw/zinc/81/05/21/545810521.db2.gz	BUARDEJOPAZOKM-XCBNKYQSSA-N	-2	3	303.311	0.980	10	0		DCAEHL
COC(=O)CCS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-]	ZINC000049063165	395827755	/nfs/dbraw/zinc/82/77/55/395827755.db2.gz	TXLXBYCFROWFKC-UHFFFAOYSA-N	-2	3	305.283	0.829	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c1	ZINC000645975341	417839297	/nfs/dbraw/zinc/83/92/97/417839297.db2.gz	YIXFHXRTRAZDQR-WPRPVWTQSA-N	-2	3	303.336	0.807	10	0		DCAEHL
CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC000694171210	976674542	/nfs/dbraw/zinc/67/45/42/976674542.db2.gz	HXELYMYDUDEYTR-JTQLQIEISA-N	-2	3	302.352	0.740	10	0		DCAEHL
CO[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCOC1	ZINC000694211707	976683953	/nfs/dbraw/zinc/68/39/53/976683953.db2.gz	LNLJVAUQAXCKRM-NSHDSACASA-N	-2	3	305.308	0.062	10	0		DCAEHL
N[N-]S(=O)(=O)c1cc(C(=O)[O-])sc1Br	ZINC000133110491	395928467	/nfs/dbraw/zinc/92/84/67/395928467.db2.gz	DCLNNEDFRRGCNU-UHFFFAOYSA-N	-2	3	301.143	0.361	10	0		DCAEHL
COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-]	ZINC000133244387	395928746	/nfs/dbraw/zinc/92/87/46/395928746.db2.gz	YDSPCFSOWRCENZ-NKWVEPMBSA-N	-2	3	321.376	0.922	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@@H](CCSC)C(=O)[O-])c1	ZINC000092890001	415544464	/nfs/dbraw/zinc/54/44/64/415544464.db2.gz	QBUCTTCOSAPBHA-QMMMGPOBSA-N	-2	3	307.397	0.388	10	0		DCAEHL
C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])O1	ZINC000656723584	418373221	/nfs/dbraw/zinc/37/32/21/418373221.db2.gz	LUPCMMGCFLLESZ-HTQZYQBOSA-N	-2	3	303.340	0.344	10	0		DCAEHL
O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cccnc1F)C1CC1	ZINC000690514840	976313294	/nfs/dbraw/zinc/31/32/94/976313294.db2.gz	LNZPVUFIVUVXEC-SECBINFHSA-N	-2	3	302.327	1.000	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@]2(C)C(=O)[O-])c1	ZINC000164838580	291247580	/nfs/dbraw/zinc/24/75/80/291247580.db2.gz	BHAYEHUFVXCMOC-JOYOIKCWSA-N	-2	3	301.368	0.825	10	0		DCAEHL
COC(=O)CCS(=O)(=O)[N-]c1cc(F)c(F)cc1C(=O)[O-]	ZINC000061564272	184174535	/nfs/dbraw/zinc/17/45/35/184174535.db2.gz	CFWSVGDGQYLWRD-UHFFFAOYSA-N	-2	3	323.273	0.968	10	0		DCAEHL
O=C([O-])CCNC(=O)[C@H](Cc1ccccc1)CP(=O)([O-])[O-]	ZINC000013734457	395689040	/nfs/dbraw/zinc/68/90/40/395689040.db2.gz	IZIVKIRABKNNOP-LLVKDONJSA-N	-3	3	315.262	0.614	10	0		DCAEHL
O=C([O-])c1csc(C[N-]S(=O)(=O)C[C@H]2CCCO2)n1	ZINC000090932906	395719985	/nfs/dbraw/zinc/71/99/85/395719985.db2.gz	MEZCBEPTLRVVON-SSDOTTSWSA-N	-2	3	306.365	0.440	10	0		DCAEHL
CC(C)(C)C[C@H](O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000226058953	395865219	/nfs/dbraw/zinc/86/52/19/395865219.db2.gz	HNNVXGRTQUWFJA-ZETCQYMHSA-N	-2	3	305.356	0.183	10	0		DCAEHL
COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(OC)ccc2[O-])C1	ZINC000262687500	396172617	/nfs/dbraw/zinc/17/26/17/396172617.db2.gz	BAZGHCOPMWDXEG-HNNXBMFYSA-N	-2	3	309.318	0.964	10	0		DCAEHL
O=C([O-])C[C@@H](CC[N-]S(=O)(=O)c1c[nH]cn1)C(F)(F)F	ZINC000312347928	396764887	/nfs/dbraw/zinc/76/48/87/396764887.db2.gz	HOPRNRPJHVJVLJ-ZCFIWIBFSA-N	-2	3	315.273	0.731	10	0		DCAEHL
COC(=O)CCCS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1O	ZINC000124656287	158245071	/nfs/dbraw/zinc/24/50/71/158245071.db2.gz	QDHNULLFELIVRY-UHFFFAOYSA-N	-2	3	317.319	0.785	10	0		DCAEHL
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)CCCO1	ZINC000408484181	160118512	/nfs/dbraw/zinc/11/85/12/160118512.db2.gz	DGZSOVJQYAELNQ-LBPRGKRZSA-N	-2	3	310.335	0.332	10	0		DCAEHL
Cn1cnc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c1	ZINC000090933013	286935553	/nfs/dbraw/zinc/93/55/53/286935553.db2.gz	MSDSRCBMEIUDCD-UHFFFAOYSA-N	-2	3	302.337	0.053	10	0		DCAEHL
C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000530152230	417545524	/nfs/dbraw/zinc/54/55/24/417545524.db2.gz	IGQQSGBJCWSTBI-JVZYCSMKSA-N	-2	3	303.340	0.198	10	0		DCAEHL
C[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000149338759	545811084	/nfs/dbraw/zinc/81/10/84/545811084.db2.gz	BUARDEJOPAZOKM-OIBJUYFYSA-N	-2	3	303.311	0.980	10	0		DCAEHL
N[C@H](CC(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000034046036	571749909	/nfs/dbraw/zinc/74/99/09/571749909.db2.gz	ZARXTZFGQZBYFO-PWSUYJOCSA-N	-2	3	319.317	0.082	10	0	endogenous,in-man	DCAEHL
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@@H](C)O1	ZINC000686350716	976108212	/nfs/dbraw/zinc/10/82/12/976108212.db2.gz	XUMHKSLQVAJQTG-PRJMDXOYSA-N	-2	3	320.392	0.933	10	0		DCAEHL
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@H](C)O1	ZINC000686350715	976108294	/nfs/dbraw/zinc/10/82/94/976108294.db2.gz	XUMHKSLQVAJQTG-GJMOJQLCSA-N	-2	3	320.392	0.933	10	0		DCAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@H]1COC2(CCC2)C1	ZINC000688300674	976175242	/nfs/dbraw/zinc/17/52/42/976175242.db2.gz	HUAPDROTLRZAFD-SSDOTTSWSA-N	-2	3	301.324	0.098	10	0		DCAEHL
C[S@](=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1	ZINC000694174652	976676519	/nfs/dbraw/zinc/67/65/19/976676519.db2.gz	OWNVIGFSYKTXQH-IBGZPJMESA-N	-2	3	321.376	0.557	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCC2)cn1C	ZINC000084146964	545699614	/nfs/dbraw/zinc/69/96/14/545699614.db2.gz	PLVYTMPNGUKYLU-UHFFFAOYSA-N	-2	3	301.368	0.794	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])cn1C	ZINC000164856340	291247816	/nfs/dbraw/zinc/24/78/16/291247816.db2.gz	SVGCORFVLWVGQB-SKDRFNHKSA-N	-2	3	301.368	0.650	10	0		DCAEHL
COC(=O)c1sccc1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-]	ZINC000133244602	395928816	/nfs/dbraw/zinc/92/88/16/395928816.db2.gz	YDSPCFSOWRCENZ-RNFRBKRXSA-N	-2	3	321.376	0.922	10	0		DCAEHL
C[S@@](=O)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCC1	ZINC000694174656	976676282	/nfs/dbraw/zinc/67/62/82/976676282.db2.gz	OWNVIGFSYKTXQH-LJQANCHMSA-N	-2	3	321.376	0.557	10	0		DCAEHL
O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCNC2=O)c1	ZINC000050397509	395838753	/nfs/dbraw/zinc/83/87/53/395838753.db2.gz	ZMCPQEQUUOPSKY-SSDOTTSWSA-N	-2	3	304.349	0.003	10	0		DCAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CSCCS1	ZINC000229582342	664605690	/nfs/dbraw/zinc/60/56/90/664605690.db2.gz	TULLBQMRCFDCOE-ZCFIWIBFSA-N	-2	3	323.421	0.235	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C2CC2)c1	ZINC000694151990	976671153	/nfs/dbraw/zinc/67/11/53/976671153.db2.gz	RTAMVQLUHZCFCE-KOLCDFICSA-N	-2	3	301.320	0.824	10	0		DCAEHL
CCCN1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC000694152234	976671217	/nfs/dbraw/zinc/67/12/17/976671217.db2.gz	UQQZHTTZYJOACD-SNVBAGLBSA-N	-2	3	302.352	0.740	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC23CCOCC3)c1	ZINC000694179306	976675994	/nfs/dbraw/zinc/67/59/94/976675994.db2.gz	XUQZRLVLRWBPGC-SECBINFHSA-N	-2	3	301.320	0.825	10	0		DCAEHL
O=C([O-])[C@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccccc1F	ZINC000040162407	395732877	/nfs/dbraw/zinc/73/28/77/395732877.db2.gz	JREAMVNUZKULQV-JTQLQIEISA-N	-2	3	313.310	0.523	10	0		DCAEHL
O=C([O-])c1ccc(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])cc1	ZINC000147898426	395967448	/nfs/dbraw/zinc/96/74/48/395967448.db2.gz	UXPQPXJISKEKLJ-UHFFFAOYSA-N	-5	3	310.135	0.609	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)c1	ZINC000399718698	287231085	/nfs/dbraw/zinc/23/10/85/287231085.db2.gz	HLRYZKICUBBEMU-KOLCDFICSA-N	-2	3	303.384	0.927	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@H](CCSC)C(=O)[O-])c1	ZINC000092890002	415542893	/nfs/dbraw/zinc/54/28/93/415542893.db2.gz	QBUCTTCOSAPBHA-MRVPVSSYSA-N	-2	3	307.397	0.388	10	0		DCAEHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-]	ZINC000037418276	337363500	/nfs/dbraw/zinc/36/35/00/337363500.db2.gz	AUMZNXUIGGHLHY-SSDOTTSWSA-N	-2	3	324.717	0.086	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](CO)C2CCCC2)c1	ZINC000694171237	976674967	/nfs/dbraw/zinc/67/49/67/976674967.db2.gz	CQEAHXICYLWTRB-JTQLQIEISA-N	-2	3	303.336	0.807	10	0		DCAEHL
COc1cccc(NC(=O)CSc2nc([O-])cc(=O)[n-]2)c1	ZINC000104609577	257121748	/nfs/dbraw/zinc/12/17/48/257121748.db2.gz	DEEPFCWLRPLYNN-UHFFFAOYSA-N	-2	3	307.331	0.769	10	0		DCAEHL
CCn1cc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])nc1C	ZINC000089426541	395711583	/nfs/dbraw/zinc/71/15/83/395711583.db2.gz	CYWOGBXUIWIRNP-GHMZBOCLSA-N	-2	3	315.395	0.991	10	0		DCAEHL
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-]	ZINC000133244943	395928969	/nfs/dbraw/zinc/92/89/69/395928969.db2.gz	YDSPCFSOWRCENZ-RQJHMYQMSA-N	-2	3	321.376	0.922	10	0		DCAEHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-]	ZINC000037405984	415188631	/nfs/dbraw/zinc/18/86/31/415188631.db2.gz	AIHYWHJQZKANPP-SSDOTTSWSA-N	-2	3	324.717	0.086	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]C[C@H](Cc2ccccn2)C(=O)[O-])c[nH]1	ZINC000547554409	288057442	/nfs/dbraw/zinc/05/74/42/288057442.db2.gz	SVISRULCWLZVCX-JTQLQIEISA-N	-2	3	324.362	0.335	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2COC3(CCC3)C2)c1	ZINC000688310978	976175152	/nfs/dbraw/zinc/17/51/52/976175152.db2.gz	ISNSOLTXGOXOSZ-VIFPVBQESA-N	-2	3	301.320	0.968	10	0		DCAEHL
Cc1[nH]nc(S(=O)(=O)[N-][C@H](CO)CC(C)C)c1C(=O)[O-]	ZINC000688830007	976194381	/nfs/dbraw/zinc/19/43/81/976194381.db2.gz	DJWUFZGOWFNSSC-QMMMGPOBSA-N	-2	3	305.356	0.102	10	0		DCAEHL
CC(C)[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(N)=O	ZINC000694195127	976679419	/nfs/dbraw/zinc/67/94/19/976679419.db2.gz	XYGBLMRXECPNEE-NSHDSACASA-N	-2	3	304.324	0.156	10	0		DCAEHL
O=C([O-])C1(C[N-]S(=O)(=O)c2cncc(F)c2)CCOCC1	ZINC000165952016	291249099	/nfs/dbraw/zinc/24/90/99/291249099.db2.gz	PPPIDAOKSMQWMT-UHFFFAOYSA-N	-2	3	318.326	0.380	10	0		DCAEHL
COC(=O)CCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O	ZINC000049062052	395827522	/nfs/dbraw/zinc/82/75/22/395827522.db2.gz	BVNICWABZYUSHO-UHFFFAOYSA-N	-2	3	317.319	0.785	10	0		DCAEHL
CC(C)COCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000223798601	395856549	/nfs/dbraw/zinc/85/65/49/395856549.db2.gz	JAOKNOWGXGSAGS-UHFFFAOYSA-N	-2	3	305.356	0.449	10	0		DCAEHL
CC(C)([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])c1nccs1	ZINC000232527187	395887025	/nfs/dbraw/zinc/88/70/25/395887025.db2.gz	OYPOBAAUHDPCOB-UHFFFAOYSA-N	-2	3	316.364	0.778	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)c1	ZINC000399718700	287231043	/nfs/dbraw/zinc/23/10/43/287231043.db2.gz	HLRYZKICUBBEMU-ONGXEEELSA-N	-2	3	303.384	0.927	10	0		DCAEHL
COc1ccc(C(=O)Nc2n[n-]c(S(C)(=O)=O)n2)c([O-])c1	ZINC000436943067	416576806	/nfs/dbraw/zinc/57/68/06/416576806.db2.gz	XYCNYXOMBBOYEZ-UHFFFAOYSA-N	-2	3	312.307	0.175	10	0		DCAEHL
COc1ccc(C(=O)Nc2nc(S(C)(=O)=O)n[n-]2)c([O-])c1	ZINC000436943067	416576816	/nfs/dbraw/zinc/57/68/16/416576816.db2.gz	XYCNYXOMBBOYEZ-UHFFFAOYSA-N	-2	3	312.307	0.175	10	0		DCAEHL
COc1ccc(C(=O)Nc2nnc(S(C)(=O)=O)[n-]2)c([O-])c1	ZINC000436943067	416576819	/nfs/dbraw/zinc/57/68/19/416576819.db2.gz	XYCNYXOMBBOYEZ-UHFFFAOYSA-N	-2	3	312.307	0.175	10	0		DCAEHL
CS[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000235086070	658538623	/nfs/dbraw/zinc/53/86/23/658538623.db2.gz	AUIIUQBKYCEHAA-RNFRBKRXSA-N	-2	3	305.381	0.670	10	0		DCAEHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]CC[C@@H]1CCCO1	ZINC000134691857	545801226	/nfs/dbraw/zinc/80/12/26/545801226.db2.gz	ATZNKFZVFZMDEE-ZETCQYMHSA-N	-2	3	306.365	0.689	10	0		DCAEHL
CS(=O)(=O)c1nc([N-]C(=O)c2c(F)cccc2F)n[n-]1	ZINC000438932082	416604901	/nfs/dbraw/zinc/60/49/01/416604901.db2.gz	BCWKYOCQNUNXLT-UHFFFAOYSA-N	-2	3	302.262	0.739	10	0		DCAEHL
C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])O1	ZINC000656723587	418373206	/nfs/dbraw/zinc/37/32/06/418373206.db2.gz	LUPCMMGCFLLESZ-JGVFFNPUSA-N	-2	3	303.340	0.344	10	0		DCAEHL
Cc1ncc(S(=O)(=O)[N-][C@@H]2C[C@H]3C[C@@]3(C(=O)[O-])C2)s1	ZINC000712939321	670150807	/nfs/dbraw/zinc/15/08/07/670150807.db2.gz	YDWBFOKBQLSQHU-VAOFZXAKSA-N	-2	3	302.377	0.983	10	0		DCAEHL
Cc1cccc(C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-])c1[O-]	ZINC000019987803	182174745	/nfs/dbraw/zinc/17/47/45/182174745.db2.gz	YVLKGJJZCOIIGT-SNVBAGLBSA-N	-2	3	315.347	0.318	10	0		DCAEHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@@H]1O	ZINC000134716857	545802231	/nfs/dbraw/zinc/80/22/31/545802231.db2.gz	OWNUINLIWACQSN-YUMQZZPRSA-N	-2	3	320.392	0.671	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])cn1C	ZINC000089426797	395711766	/nfs/dbraw/zinc/71/17/66/395711766.db2.gz	OMJMGHWWTVPOGX-NXEZZACHSA-N	-2	3	301.368	0.508	10	0		DCAEHL
COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-]	ZINC000133244780	395928760	/nfs/dbraw/zinc/92/87/60/395928760.db2.gz	YDSPCFSOWRCENZ-BQBZGAKWSA-N	-2	3	321.376	0.922	10	0		DCAEHL
CC(=O)c1cccc(NC(=O)c2cnc([O-])n(C)c2=O)c1[O-]	ZINC000560551077	396619642	/nfs/dbraw/zinc/61/96/42/396619642.db2.gz	RGIOZCVZVNXDRU-UHFFFAOYSA-N	-2	3	303.274	0.646	10	0		DCAEHL
C[C@H]1C[C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1	ZINC000386847358	397290912	/nfs/dbraw/zinc/29/09/12/397290912.db2.gz	XJMOIFZLFZXXDL-YUMQZZPRSA-N	-2	3	303.340	0.201	10	0		DCAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCNC2=O)c(F)c1	ZINC000092114657	158110716	/nfs/dbraw/zinc/11/07/16/158110716.db2.gz	WPTZWIJVKONZMR-SECBINFHSA-N	-2	3	316.310	0.081	10	0		DCAEHL
CC(C)(C)c1cc(C(=O)[N-]c2n[n-]c(S(C)(=O)=O)n2)no1	ZINC000439155270	416608838	/nfs/dbraw/zinc/60/88/38/416608838.db2.gz	TWXIBRAAYPJVDD-UHFFFAOYSA-N	-2	3	313.339	0.746	10	0		DCAEHL
C[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[S@](C)=O	ZINC000694213530	976684151	/nfs/dbraw/zinc/68/41/51/976684151.db2.gz	XPPZVBFJUQQBPL-MDTSDYNXSA-N	-2	3	309.365	0.413	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000092890153	395733967	/nfs/dbraw/zinc/73/39/67/395733967.db2.gz	DCISIEWYBZJRDI-UWVGGRQHSA-N	-2	3	301.368	0.825	10	0		DCAEHL
O=C(NC1(c2nnn[n-]2)CC1)c1nn(-c2ccccc2)cc1[O-]	ZINC000357096781	416034177	/nfs/dbraw/zinc/03/41/77/416034177.db2.gz	OICUDXIBDHLOGA-UHFFFAOYSA-N	-2	3	311.305	0.510	10	0		DCAEHL
O=C(NC1(c2nn[n-]n2)CC1)c1nn(-c2ccccc2)cc1[O-]	ZINC000357096781	416034182	/nfs/dbraw/zinc/03/41/82/416034182.db2.gz	OICUDXIBDHLOGA-UHFFFAOYSA-N	-2	3	311.305	0.510	10	0		DCAEHL
C[C@H](O)CC(C)(C)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000393582141	337093099	/nfs/dbraw/zinc/09/30/99/337093099.db2.gz	KGECAAQBXRVLIN-ZETCQYMHSA-N	-2	3	305.356	0.183	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@H](C)c2nc(C(=O)[O-])cs2)c[nH]1	ZINC000090940963	545716343	/nfs/dbraw/zinc/71/63/43/545716343.db2.gz	XNGJPCWXSQITLM-RXMQYKEDSA-N	-2	3	316.364	0.912	10	0		DCAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])c1cnn(C)c1	ZINC000130837577	395924300	/nfs/dbraw/zinc/92/43/00/395924300.db2.gz	MXWNKQBXZAADAU-SECBINFHSA-N	-2	3	314.323	0.129	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])c2)c[nH]1	ZINC000070419054	396101414	/nfs/dbraw/zinc/10/14/14/396101414.db2.gz	KWAZCXDKQGIPIG-UHFFFAOYSA-N	-2	3	309.347	0.937	10	0		DCAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2[C@H]3COC[C@H]32)c1	ZINC000375649975	396788979	/nfs/dbraw/zinc/78/89/79/396788979.db2.gz	BGRXVEMBVCCBIM-PSVAKVPMSA-N	-2	3	303.361	0.617	10	0		DCAEHL
Cn1cnc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)c1	ZINC000360618361	416400077	/nfs/dbraw/zinc/40/00/77/416400077.db2.gz	IVEUGEWOSZMTDR-UHFFFAOYSA-N	-2	3	319.350	0.325	10	0		DCAEHL
Cn1cnc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)c1	ZINC000360618361	416400078	/nfs/dbraw/zinc/40/00/78/416400078.db2.gz	IVEUGEWOSZMTDR-UHFFFAOYSA-N	-2	3	319.350	0.325	10	0		DCAEHL
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000530155103	417546258	/nfs/dbraw/zinc/54/62/58/417546258.db2.gz	WKWLXDHVXAGGMK-HSNKUXOKSA-N	-2	3	320.392	0.932	10	0		DCAEHL
C[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)c1nc(C(=O)[O-])cs1	ZINC000090941615	545717201	/nfs/dbraw/zinc/71/72/01/545717201.db2.gz	WELMVIRQBDLILV-ZCFIWIBFSA-N	-2	3	316.364	0.614	10	0		DCAEHL
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@H](C)O1	ZINC000686350711	976108063	/nfs/dbraw/zinc/10/80/63/976108063.db2.gz	XUMHKSLQVAJQTG-CSMHCCOUSA-N	-2	3	320.392	0.933	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@H](CO)C2CCCC2)c1	ZINC000694171238	976674242	/nfs/dbraw/zinc/67/42/42/976674242.db2.gz	CQEAHXICYLWTRB-SNVBAGLBSA-N	-2	3	303.336	0.807	10	0		DCAEHL
COC(=O)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C	ZINC000694211118	976682035	/nfs/dbraw/zinc/68/20/35/976682035.db2.gz	IFVBPIKRFOBSNL-VIFPVBQESA-N	-2	3	305.308	0.454	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]CCc2cscn2)c1	ZINC000694211328	976682583	/nfs/dbraw/zinc/68/25/83/976682583.db2.gz	ZIFNEYQBXIHTBE-UHFFFAOYSA-N	-2	3	302.333	0.955	10	0		DCAEHL
COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000052785866	395869886	/nfs/dbraw/zinc/86/98/86/395869886.db2.gz	VMHHHGKNLHYILN-SECBINFHSA-N	-2	3	309.290	0.733	10	0		DCAEHL
CCCCOCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000133425981	287010895	/nfs/dbraw/zinc/01/08/95/287010895.db2.gz	YBBPLZCIGVDILL-UHFFFAOYSA-N	-2	3	305.356	0.593	10	0		DCAEHL
C[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F	ZINC000149339122	545811542	/nfs/dbraw/zinc/81/15/42/545811542.db2.gz	BUARDEJOPAZOKM-XVKPBYJWSA-N	-2	3	303.311	0.980	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccs2)c[nH]1	ZINC000125278390	395902148	/nfs/dbraw/zinc/90/21/48/395902148.db2.gz	XVKDBKCNKUYVAJ-VIFPVBQESA-N	-2	3	301.349	0.884	10	0		DCAEHL
O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1[C@H]2CCCO[C@H]21	ZINC000408505177	160120370	/nfs/dbraw/zinc/12/03/70/160120370.db2.gz	WKVBFTIAMJNKKN-GGZOMVNGSA-N	-2	3	322.346	0.188	10	0		DCAEHL
Cc1nc(=NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)s[n-]1	ZINC000360988362	416417975	/nfs/dbraw/zinc/41/79/75/416417975.db2.gz	YOAXSIORPQPDMM-AWEZNQCLSA-N	-2	3	317.374	0.935	10	0		DCAEHL
O=C([O-])CSc1nc2c([n-]1)c(=O)[nH]c(=O)n2-c1ccccc1	ZINC000616582085	417081008	/nfs/dbraw/zinc/08/10/08/417081008.db2.gz	RVTOHJCYAQIXOL-UHFFFAOYSA-N	-2	3	318.314	0.991	10	0		DCAEHL
O=C([O-])CSc1nc2c([O-])[n-]c(=O)n(-c3ccccc3)c-2n1	ZINC000616582085	417081013	/nfs/dbraw/zinc/08/10/13/417081013.db2.gz	RVTOHJCYAQIXOL-UHFFFAOYSA-N	-3	3	318.314	0.991	10	0		DCAEHL
O=C([O-])CSc1nc2c([n-]1)n(-c1ccccc1)c(=O)[nH]c2=O	ZINC000616582085	417081026	/nfs/dbraw/zinc/08/10/26/417081026.db2.gz	RVTOHJCYAQIXOL-UHFFFAOYSA-N	-2	3	318.314	0.991	10	0		DCAEHL
O=C([O-])[C@@H](Cc1c[nH]cn1)[N-]S(=O)(=O)c1ccccc1F	ZINC000040162408	395732777	/nfs/dbraw/zinc/73/27/77/395732777.db2.gz	JREAMVNUZKULQV-SNVBAGLBSA-N	-2	3	313.310	0.523	10	0		DCAEHL
O=c1cc(NS(=O)(=O)c2ccc([O-])c3ncccc23)[n-][nH]1	ZINC000205554295	395834938	/nfs/dbraw/zinc/83/49/38/395834938.db2.gz	INSCDVODETXBKJ-UHFFFAOYSA-N	-2	3	306.303	0.052	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)c1	ZINC000399718696	287231089	/nfs/dbraw/zinc/23/10/89/287231089.db2.gz	HLRYZKICUBBEMU-GXSJLCMTSA-N	-2	3	303.384	0.927	10	0		DCAEHL
CCCN(CCC)S(=O)(=O)[N-]c1cnn(C)c1C(=O)[O-]	ZINC000539191919	287889081	/nfs/dbraw/zinc/88/90/81/287889081.db2.gz	HMTNACGBMFJIPM-UHFFFAOYSA-N	-2	3	304.372	0.897	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]CC2CCC(O)CC2)c1	ZINC000694182220	976676554	/nfs/dbraw/zinc/67/65/54/976676554.db2.gz	BVMMEOIKXSAQND-UHFFFAOYSA-N	-2	3	303.336	0.807	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCC[C@H](O)C2)c1	ZINC000694183878	976677978	/nfs/dbraw/zinc/67/79/78/976677978.db2.gz	SDZBNMISMJZYPT-WPRPVWTQSA-N	-2	3	303.336	0.807	10	0		DCAEHL
COc1nnc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)[n-]1	ZINC000179371490	199023392	/nfs/dbraw/zinc/02/33/92/199023392.db2.gz	OWBJQOJDPRYMQG-UHFFFAOYSA-N	-2	3	306.326	0.755	10	0		DCAEHL
COc1nc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)n[n-]1	ZINC000179371490	199023394	/nfs/dbraw/zinc/02/33/94/199023394.db2.gz	OWBJQOJDPRYMQG-UHFFFAOYSA-N	-2	3	306.326	0.755	10	0		DCAEHL
COc1n[n-]c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)n1	ZINC000179371490	199023396	/nfs/dbraw/zinc/02/33/96/199023396.db2.gz	OWBJQOJDPRYMQG-UHFFFAOYSA-N	-2	3	306.326	0.755	10	0		DCAEHL
Cc1nc(-c2cnn[n-]2)[n-]c(=O)c1I	ZINC000127373289	395915106	/nfs/dbraw/zinc/91/51/06/395915106.db2.gz	KEAFRQVAYMCIRN-UHFFFAOYSA-N	-2	3	303.063	0.468	10	0		DCAEHL
Cc1nc(-c2cn[n-]n2)[n-]c(=O)c1I	ZINC000127373289	395915107	/nfs/dbraw/zinc/91/51/07/395915107.db2.gz	KEAFRQVAYMCIRN-UHFFFAOYSA-N	-2	3	303.063	0.468	10	0		DCAEHL
Cn1cc([C@H]([N-]S(=O)(=O)c2cncc(F)c2)C(=O)[O-])cn1	ZINC000130814569	395923499	/nfs/dbraw/zinc/92/34/99/395923499.db2.gz	CIOCDHHGVZQDOL-JTQLQIEISA-N	-2	3	314.298	0.058	10	0		DCAEHL
CC(C)(C)C[C@@H](O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000226058940	395865129	/nfs/dbraw/zinc/86/51/29/395865129.db2.gz	HNNVXGRTQUWFJA-SSDOTTSWSA-N	-2	3	305.356	0.183	10	0		DCAEHL
Cn1nccc1S(=O)(=O)[N-]c1ccc(Cc2nnn[n-]2)cc1	ZINC000360622890	416400274	/nfs/dbraw/zinc/40/02/74/416400274.db2.gz	ZROVEVXBFFSWDZ-UHFFFAOYSA-N	-2	3	319.350	0.325	10	0		DCAEHL
Cn1nccc1S(=O)(=O)[N-]c1ccc(Cc2nn[n-]n2)cc1	ZINC000360622890	416400275	/nfs/dbraw/zinc/40/02/75/416400275.db2.gz	ZROVEVXBFFSWDZ-UHFFFAOYSA-N	-2	3	319.350	0.325	10	0		DCAEHL
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000530155102	417547729	/nfs/dbraw/zinc/54/77/29/417547729.db2.gz	WKWLXDHVXAGGMK-CWKFCGSDSA-N	-2	3	320.392	0.932	10	0		DCAEHL
CO[C@H]1C[C@@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])C1	ZINC000629346992	417784634	/nfs/dbraw/zinc/78/46/34/417784634.db2.gz	ZVHNXYZZAVVDLJ-KNVOCYPGSA-N	-2	3	306.365	0.545	10	0		DCAEHL
O=C([O-])[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1c[nH]cn1	ZINC000159590771	545860515	/nfs/dbraw/zinc/86/05/15/545860515.db2.gz	RYESZOBPLSILFM-LLVKDONJSA-N	-2	3	309.347	0.774	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H](O)C2)c1	ZINC000694183877	976678053	/nfs/dbraw/zinc/67/80/53/976678053.db2.gz	SDZBNMISMJZYPT-WCBMZHEXSA-N	-2	3	303.336	0.807	10	0		DCAEHL
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]CCCC(=O)[O-]	ZINC000036969691	182857504	/nfs/dbraw/zinc/85/75/04/182857504.db2.gz	KLHOGVBHPAYFHE-UHFFFAOYSA-N	-2	3	319.335	0.826	10	0		DCAEHL
Cc1ncc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cnn(C)c2)s1	ZINC000230095267	395878211	/nfs/dbraw/zinc/87/82/11/395878211.db2.gz	BGYIPLZTOKOIGJ-VIFPVBQESA-N	-2	3	316.364	0.289	10	0		DCAEHL
Cc1cccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c1F	ZINC000283409676	396335256	/nfs/dbraw/zinc/33/52/56/396335256.db2.gz	AOBHAEOXRFIGGJ-UHFFFAOYSA-N	-2	3	301.299	0.331	10	0		DCAEHL
C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc3n[n-]nc3c2)O1	ZINC000408492666	160118990	/nfs/dbraw/zinc/11/89/90/160118990.db2.gz	AFMHNZWTHVFWFX-RDDDGLTNSA-N	-2	3	310.335	0.330	10	0		DCAEHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-]	ZINC000036983407	337361729	/nfs/dbraw/zinc/36/17/29/337361729.db2.gz	UKXZXXXFWAMOQU-ZCFIWIBFSA-N	-2	3	324.717	0.086	10	0		DCAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCCOCC1CC1	ZINC000223798679	395856752	/nfs/dbraw/zinc/85/67/52/395856752.db2.gz	PXLSRHXGAUHJSM-UHFFFAOYSA-N	-2	3	303.340	0.203	10	0		DCAEHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1COC2(CCC2)C1	ZINC000688300678	976175021	/nfs/dbraw/zinc/17/50/21/976175021.db2.gz	HUAPDROTLRZAFD-ZETCQYMHSA-N	-2	3	301.324	0.098	10	0		DCAEHL
C[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCCO1	ZINC000134675388	545801858	/nfs/dbraw/zinc/80/18/58/545801858.db2.gz	VNWXTFNNKDQQMS-BQBZGAKWSA-N	-2	3	306.365	0.687	10	0		DCAEHL
COC(=O)c1sccc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-]	ZINC000147270930	395966759	/nfs/dbraw/zinc/96/67/59/395966759.db2.gz	WFRFEWNNVCNWLD-SSDOTTSWSA-N	-2	3	321.376	0.924	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)c1	ZINC000645975338	417837730	/nfs/dbraw/zinc/83/77/30/417837730.db2.gz	YIXFHXRTRAZDQR-PSASIEDQSA-N	-2	3	303.336	0.807	10	0		DCAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCO2)s1	ZINC000021789776	182289116	/nfs/dbraw/zinc/28/91/16/182289116.db2.gz	SLGSSQMJPOOMEK-MRVPVSSYSA-N	-2	3	305.377	0.833	10	0		DCAEHL
CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC000050265454	395837946	/nfs/dbraw/zinc/83/79/46/395837946.db2.gz	VULHVJOHHBBLCT-LDYMZIIASA-N	-2	3	303.384	0.989	10	0		DCAEHL
O=C(N=c1cc([C@@H]2CCCO2)[n-][nH]1)N=c1[n-]nc2ccccn21	ZINC000525831824	417153721	/nfs/dbraw/zinc/15/37/21/417153721.db2.gz	DZIPZTROUOMFET-JTQLQIEISA-N	-2	3	313.321	0.792	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(F)cc2)c[nH]1	ZINC000548544074	288152864	/nfs/dbraw/zinc/15/28/64/288152864.db2.gz	UVPYTIQTXSHXHX-NSHDSACASA-N	-2	3	313.310	0.961	10	0		DCAEHL
O=C([O-])/C=C/C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000383719627	685243790	/nfs/dbraw/zinc/24/37/90/685243790.db2.gz	DFBJJPFGLWMHES-OWOJBTEDSA-N	-2	3	304.255	0.653	10	0		DCAEHL
COc1ccc(=NC(=O)N=c2cc([C@H]3CCCO3)[n-][nH]2)[n-]n1	ZINC000566576879	291313909	/nfs/dbraw/zinc/31/39/09/291313909.db2.gz	JJDZYCVYCQJBAQ-SECBINFHSA-N	-2	3	304.310	0.548	10	0		DCAEHL
COc1ccc(=NC(=O)N=c2cc([C@@H]3CCCO3)[n-][nH]2)[n-]n1	ZINC000566576880	291313924	/nfs/dbraw/zinc/31/39/24/291313924.db2.gz	JJDZYCVYCQJBAQ-VIFPVBQESA-N	-2	3	304.310	0.548	10	0		DCAEHL
CCCCOCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]	ZINC000038637327	183005699	/nfs/dbraw/zinc/00/56/99/183005699.db2.gz	LVOJNULPXOXYRA-UHFFFAOYSA-N	-4	3	319.231	0.766	10	0		DCAEHL
Nc1nc2c(c(=O)[n-]1)N[C@@H](CNc1ccc(C(=O)[O-])cc1)CN2	ZINC000008664076	257137614	/nfs/dbraw/zinc/13/76/14/257137614.db2.gz	OXIZGFYJYJOABB-VIFPVBQESA-N	-2	3	316.321	0.781	10	0	in-vitro	DCAEHL
CN(C)CCc1nc([O-])c(I)c(=O)[n-]1	ZINC000134768372	395934910	/nfs/dbraw/zinc/93/49/10/395934910.db2.gz	JOTFBSOAHJLLNM-UHFFFAOYSA-N	-2	3	309.107	0.184	10	0		DCAEHL
C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000530152231	417545558	/nfs/dbraw/zinc/54/55/58/417545558.db2.gz	IGQQSGBJCWSTBI-LKHWLPBLSA-N	-2	3	303.340	0.198	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2F)c[nH]1	ZINC000547544089	288056297	/nfs/dbraw/zinc/05/62/97/288056297.db2.gz	WHEDIZPIGZPGFO-LLVKDONJSA-N	-2	3	313.310	0.961	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)[O-])C2)cn1C	ZINC000070556161	396102532	/nfs/dbraw/zinc/10/25/32/396102532.db2.gz	KXVLMRKCMCITJB-VHSXEESVSA-N	-2	3	301.368	0.650	10	0		DCAEHL
CC(C)n1cnc(S(=O)(=O)[N-][C@H](CC2CC2)C(=O)[O-])c1	ZINC000562295058	396655332	/nfs/dbraw/zinc/65/53/32/396655332.db2.gz	BGSDGLCXTVZFSU-SNVBAGLBSA-N	-2	3	301.368	0.996	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c1	ZINC000092890279	415542123	/nfs/dbraw/zinc/54/21/23/415542123.db2.gz	XEQFNJHOQGCDMA-UHFFFAOYSA-N	-2	3	316.364	0.536	10	0		DCAEHL
C[C@H]([N-]S(=O)(=O)c1cnn(C)c1)c1nc(C(=O)[O-])cs1	ZINC000090941393	545715657	/nfs/dbraw/zinc/71/56/57/545715657.db2.gz	CRRGYLYHHPGAPY-LURJTMIESA-N	-2	3	316.364	0.614	10	0		DCAEHL
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2scnc2C(=O)[O-])[C@@H](C)O1	ZINC000686350710	976108122	/nfs/dbraw/zinc/10/81/22/976108122.db2.gz	XUMHKSLQVAJQTG-BWZBUEFSSA-N	-2	3	320.392	0.933	10	0		DCAEHL
CON1CCC([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1	ZINC000692084171	976402913	/nfs/dbraw/zinc/40/29/13/976402913.db2.gz	FPFMXIUBTHCAEI-UHFFFAOYSA-N	-2	3	321.380	0.145	10	0		DCAEHL
O=C([O-])c1ccc(NC(=O)N2CCS(=O)(=O)CC2)c([O-])c1	ZINC000040581676	395734224	/nfs/dbraw/zinc/73/42/24/395734224.db2.gz	FMFKLLYBYPDBNG-UHFFFAOYSA-N	-2	3	314.319	0.353	10	0		DCAEHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC(=O)[O-])c(C)o1	ZINC000262907458	396191582	/nfs/dbraw/zinc/19/15/82/396191582.db2.gz	HBFQEKZFDDODHK-ZETCQYMHSA-N	-2	3	318.351	0.479	10	0		DCAEHL
COC(=O)c1sccc1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1	ZINC000166997569	158367384	/nfs/dbraw/zinc/36/73/84/158367384.db2.gz	KWOCLJGGWKQNJN-UHFFFAOYSA-N	-2	3	319.360	0.678	10	0		DCAEHL
Cc1ccc(S(=O)(=O)[N-]CCc2nc(=O)o[n-]2)c(F)c1	ZINC000279556954	415522308	/nfs/dbraw/zinc/52/23/08/415522308.db2.gz	XBYJCNWEXKYDQJ-UHFFFAOYSA-N	-2	3	301.299	0.331	10	0		DCAEHL
COC(=O)Cn1cnc(-c2nc3ccc([O-])cc3c(=O)[n-]2)n1	ZINC000436923444	416575014	/nfs/dbraw/zinc/57/50/14/416575014.db2.gz	CJGLIPYWHNLZJJ-UHFFFAOYSA-N	-2	3	301.262	0.473	10	0		DCAEHL
CC[C@H](C(=O)[O-])N(C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000044615335	545650702	/nfs/dbraw/zinc/65/07/02/545650702.db2.gz	AWFSGWBYWKBVKL-LLVKDONJSA-N	-2	3	314.363	0.993	10	0		DCAEHL
COC(=O)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C	ZINC000694211117	976682761	/nfs/dbraw/zinc/68/27/61/976682761.db2.gz	IFVBPIKRFOBSNL-SECBINFHSA-N	-2	3	305.308	0.454	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccs2)c[nH]1	ZINC000125278586	395902334	/nfs/dbraw/zinc/90/23/34/395902334.db2.gz	XVKDBKCNKUYVAJ-SECBINFHSA-N	-2	3	301.349	0.884	10	0		DCAEHL
Cn1ncc([N-]S(=O)(=O)N2CCCCCC2)c1C(=O)[O-]	ZINC000538090791	416563168	/nfs/dbraw/zinc/56/31/68/416563168.db2.gz	FLGVAZCHHPEETN-UHFFFAOYSA-N	-2	3	302.356	0.651	10	0		DCAEHL
C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000530152232	417545829	/nfs/dbraw/zinc/54/58/29/417545829.db2.gz	IGQQSGBJCWSTBI-XZMZPDFPSA-N	-2	3	303.340	0.198	10	0		DCAEHL
CCCN1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1	ZINC000694152233	976670990	/nfs/dbraw/zinc/67/09/90/976670990.db2.gz	UQQZHTTZYJOACD-JTQLQIEISA-N	-2	3	302.352	0.740	10	0		DCAEHL
C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ncn(C)n1	ZINC000694172083	976674856	/nfs/dbraw/zinc/67/48/56/976674856.db2.gz	GZAWJCUGERMVKS-LURJTMIESA-N	-2	3	300.296	0.146	10	0		DCAEHL
CCN(C)C(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211273	976682563	/nfs/dbraw/zinc/68/25/63/976682563.db2.gz	YXXMQBAKSRIKDF-SSDOTTSWSA-N	-2	3	304.324	0.123	10	0		DCAEHL
COc1nc([N-]C(=O)c2cc(Cn3cc(C)cn3)on2)n[n-]1	ZINC000182982418	396258265	/nfs/dbraw/zinc/25/82/65/396258265.db2.gz	NBKRBUKXKIIRBJ-UHFFFAOYSA-N	-2	3	303.282	0.607	10	0		DCAEHL
O=C([O-])[C@@]1(C[N-]S(=O)(=O)c2cccs2)CCCOC1	ZINC000630432124	397019864	/nfs/dbraw/zinc/01/98/64/397019864.db2.gz	KWANOUNLDUXOAH-LLVKDONJSA-N	-2	3	305.377	0.908	10	0		DCAEHL
C[C@H]1C[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCO1	ZINC000386847354	397290654	/nfs/dbraw/zinc/29/06/54/397290654.db2.gz	XJMOIFZLFZXXDL-JGVFFNPUSA-N	-2	3	303.340	0.201	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)c1	ZINC000645975339	417838647	/nfs/dbraw/zinc/83/86/47/417838647.db2.gz	YIXFHXRTRAZDQR-SCZZXKLOSA-N	-2	3	303.336	0.807	10	0		DCAEHL
CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000663431500	418020245	/nfs/dbraw/zinc/02/02/45/418020245.db2.gz	KOBGYSVLAJXERR-ZETCQYMHSA-N	-2	3	303.340	0.201	10	0		DCAEHL
C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@H]1CCCO1	ZINC000134675452	545801453	/nfs/dbraw/zinc/80/14/53/545801453.db2.gz	VNWXTFNNKDQQMS-RNFRBKRXSA-N	-2	3	306.365	0.687	10	0		DCAEHL
N[C@@H](CC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000034046038	571750044	/nfs/dbraw/zinc/75/00/44/571750044.db2.gz	ZARXTZFGQZBYFO-CMPLNLGQSA-N	-2	3	319.317	0.082	10	0	endogenous,in-man	DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CO[C@H](C3CC3)C2)c1	ZINC000691337335	976352492	/nfs/dbraw/zinc/35/24/92/976352492.db2.gz	SSWXXJVRVKHKGE-UWVGGRQHSA-N	-2	3	301.320	0.824	10	0		DCAEHL
Cc1cccc(C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)[O-])c1[O-]	ZINC000019987797	182174493	/nfs/dbraw/zinc/17/44/93/182174493.db2.gz	YVLKGJJZCOIIGT-JTQLQIEISA-N	-2	3	315.347	0.318	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2F)c[nH]1	ZINC000547544090	288056304	/nfs/dbraw/zinc/05/63/04/288056304.db2.gz	WHEDIZPIGZPGFO-NSHDSACASA-N	-2	3	313.310	0.961	10	0		DCAEHL
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C)O1	ZINC000686346099	976104441	/nfs/dbraw/zinc/10/44/41/976104441.db2.gz	AXFDMZXUMLLHBL-BWZBUEFSSA-N	-2	3	303.340	0.200	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)c1	ZINC000691337337	976353397	/nfs/dbraw/zinc/35/33/97/976353397.db2.gz	SSWXXJVRVKHKGE-ZJUUUORDSA-N	-2	3	301.320	0.824	10	0		DCAEHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]CCc1ccoc1	ZINC000692787354	976546518	/nfs/dbraw/zinc/54/65/18/976546518.db2.gz	VLDFAIRMXYYEDA-UHFFFAOYSA-N	-2	3	302.333	0.955	10	0		DCAEHL
CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211080	976682258	/nfs/dbraw/zinc/68/22/58/976682258.db2.gz	HHPWSIVSMBVGST-SVRRBLITSA-N	-2	3	309.365	0.369	10	0		DCAEHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-]	ZINC000037373339	395726339	/nfs/dbraw/zinc/72/63/39/395726339.db2.gz	BEDMMPMFTUOBNM-SCSAIBSYSA-N	-2	3	312.756	0.008	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C(=O)[O-])c1	ZINC000092890253	395734571	/nfs/dbraw/zinc/73/45/71/395734571.db2.gz	XJCVWWJKCGHURV-NXEZZACHSA-N	-2	3	301.368	0.682	10	0		DCAEHL
Cc1ncc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCSC2)s1	ZINC000235936461	395893734	/nfs/dbraw/zinc/89/37/34/395893734.db2.gz	XWPLZTPJIUQMNB-VIFPVBQESA-N	-2	3	308.406	0.690	10	0		DCAEHL
COCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000052785867	395869460	/nfs/dbraw/zinc/86/94/60/395869460.db2.gz	UEBOJZACWFXQAF-JTQLQIEISA-N	-2	3	309.290	0.733	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)[O-])C2)cn1C	ZINC000070556163	396102802	/nfs/dbraw/zinc/10/28/02/396102802.db2.gz	KXVLMRKCMCITJB-NXEZZACHSA-N	-2	3	301.368	0.650	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)c1	ZINC000399718699	287231147	/nfs/dbraw/zinc/23/11/47/287231147.db2.gz	HLRYZKICUBBEMU-MWLCHTKSSA-N	-2	3	303.384	0.927	10	0		DCAEHL
Cn1ccc(S(=O)(=O)[N-]c2ccc(Cc3nnn[n-]3)cc2)n1	ZINC000360617069	416399690	/nfs/dbraw/zinc/39/96/90/416399690.db2.gz	DQPAVOVCVXUDDU-UHFFFAOYSA-N	-2	3	319.350	0.325	10	0		DCAEHL
Cn1ccc(S(=O)(=O)[N-]c2ccc(Cc3nn[n-]n3)cc2)n1	ZINC000360617069	416399692	/nfs/dbraw/zinc/39/96/92/416399692.db2.gz	DQPAVOVCVXUDDU-UHFFFAOYSA-N	-2	3	319.350	0.325	10	0		DCAEHL
O=C(N=c1cc([C@H]2CCCO2)[n-][nH]1)N=c1[n-]nc2ccccn21	ZINC000525831825	417153920	/nfs/dbraw/zinc/15/39/20/417153920.db2.gz	DZIPZTROUOMFET-SNVBAGLBSA-N	-2	3	313.321	0.792	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)c1	ZINC000691337334	976352315	/nfs/dbraw/zinc/35/23/15/976352315.db2.gz	SSWXXJVRVKHKGE-NXEZZACHSA-N	-2	3	301.320	0.824	10	0		DCAEHL
COC(=O)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694208412	976680592	/nfs/dbraw/zinc/68/05/92/976680592.db2.gz	FLTLDLYUMKHCPY-UHFFFAOYSA-N	-2	3	305.308	0.455	10	0		DCAEHL
CO[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCOC1	ZINC000694211706	976684223	/nfs/dbraw/zinc/68/42/23/976684223.db2.gz	LNLJVAUQAXCKRM-LLVKDONJSA-N	-2	3	305.308	0.062	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])c1	ZINC000164838683	291247603	/nfs/dbraw/zinc/24/76/03/291247603.db2.gz	BHAYEHUFVXCMOC-SKDRFNHKSA-N	-2	3	301.368	0.825	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])c1	ZINC000164838803	291247646	/nfs/dbraw/zinc/24/76/46/291247646.db2.gz	BHAYEHUFVXCMOC-CABZTGNLSA-N	-2	3	301.368	0.825	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@@H]2CCC[C@@]2(C)C(=O)[O-])cn1C	ZINC000164856115	291247546	/nfs/dbraw/zinc/24/75/46/291247546.db2.gz	SVGCORFVLWVGQB-BXKDBHETSA-N	-2	3	301.368	0.650	10	0		DCAEHL
Cc1cc([N-]S(=O)(=O)N2CCOCC2)sc1C(=O)[O-]	ZINC000019980198	182173276	/nfs/dbraw/zinc/17/32/76/182173276.db2.gz	FUTDZCPCXKBSHY-UHFFFAOYSA-N	-2	3	306.365	0.744	10	0		DCAEHL
CS(=O)(=O)c1nc(NC(=O)c2cc(Cl)ccc2[O-])n[n-]1	ZINC000436943099	416577611	/nfs/dbraw/zinc/57/76/11/416577611.db2.gz	YLMIWSINZBTXHD-UHFFFAOYSA-N	-2	3	316.726	0.820	10	0		DCAEHL
CS(=O)(=O)c1n[n-]c(NC(=O)c2cc(Cl)ccc2[O-])n1	ZINC000436943099	416577612	/nfs/dbraw/zinc/57/76/12/416577612.db2.gz	YLMIWSINZBTXHD-UHFFFAOYSA-N	-2	3	316.726	0.820	10	0		DCAEHL
CS(=O)(=O)c1nnc(NC(=O)c2cc(Cl)ccc2[O-])[n-]1	ZINC000436943099	416577617	/nfs/dbraw/zinc/57/76/17/416577617.db2.gz	YLMIWSINZBTXHD-UHFFFAOYSA-N	-2	3	316.726	0.820	10	0		DCAEHL
C[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])[C@@H]1CCCO1	ZINC000134675413	545801997	/nfs/dbraw/zinc/80/19/97/545801997.db2.gz	VNWXTFNNKDQQMS-RQJHMYQMSA-N	-2	3	306.365	0.687	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]CCc2nccs2)c1	ZINC000694207951	976680743	/nfs/dbraw/zinc/68/07/43/976680743.db2.gz	CAXGSMLKPQJTGQ-UHFFFAOYSA-N	-2	3	302.333	0.955	10	0		DCAEHL
CC(C)NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211364	976681976	/nfs/dbraw/zinc/68/19/76/976681976.db2.gz	ZSANRMOTSUQAOB-SSDOTTSWSA-N	-2	3	304.324	0.169	10	0		DCAEHL
CC(C)(C)OCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000656720985	418372833	/nfs/dbraw/zinc/37/28/33/418372833.db2.gz	HKFSETZBLNOMDK-UHFFFAOYSA-N	-2	3	305.356	0.591	10	0		DCAEHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1O	ZINC000134716903	545801426	/nfs/dbraw/zinc/80/14/26/545801426.db2.gz	OWNUINLIWACQSN-JGVFFNPUSA-N	-2	3	320.392	0.671	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)C(=O)[O-])cn1C	ZINC000164856475	291247785	/nfs/dbraw/zinc/24/77/85/291247785.db2.gz	SVGCORFVLWVGQB-CABZTGNLSA-N	-2	3	301.368	0.650	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)c1	ZINC000164940548	291248138	/nfs/dbraw/zinc/24/81/38/291248138.db2.gz	VLEIQRBGDLLINW-UHFFFAOYSA-N	-2	3	301.368	0.826	10	0		DCAEHL
O=C([O-])CNC(=O)C[C@H]1SC(=O)N(c2ccc([O-])cc2)C1=O	ZINC000016905777	182064393	/nfs/dbraw/zinc/06/43/93/182064393.db2.gz	HQFUQQMTOSVLLA-SECBINFHSA-N	-2	3	324.314	0.552	10	0		DCAEHL
O=P([O-])([O-])C(Cn1cnc2ccccc21)P(=O)([O-])[O-]	ZINC000033818248	581102190	/nfs/dbraw/zinc/10/21/90/581102190.db2.gz	ISSICOMKRRPVPD-UHFFFAOYSA-N	-4	3	306.151	0.718	10	0	in-vivo	DCAEHL
CS[C@@H]1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000235156889	657520604	/nfs/dbraw/zinc/52/06/04/657520604.db2.gz	AUIIUQBKYCEHAA-NKWVEPMBSA-N	-2	3	305.381	0.670	10	0		DCAEHL
C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)N1CCCC1	ZINC000694176932	976676083	/nfs/dbraw/zinc/67/60/83/976676083.db2.gz	LGUJWQGAYAWXSI-SECBINFHSA-N	-2	3	302.352	0.740	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(=O)[O-])cn1C	ZINC000085327528	395699885	/nfs/dbraw/zinc/69/98/85/395699885.db2.gz	RAIMPLADLQBIOV-VHSXEESVSA-N	-2	3	301.368	0.650	10	0		DCAEHL
Cc1nc(=NCc2ccc([C@@]3(C)NC(=O)[N-]C3=O)cc2)s[n-]1	ZINC000360988369	416417863	/nfs/dbraw/zinc/41/78/63/416417863.db2.gz	YOAXSIORPQPDMM-CQSZACIVSA-N	-2	3	317.374	0.935	10	0		DCAEHL
O=C([O-])c1csc(S(=O)(=O)[N-]CC[C@@]2(O)CCOC2)c1	ZINC000403150234	417115973	/nfs/dbraw/zinc/11/59/73/417115973.db2.gz	ZBIYPXOLQLFFBK-LLVKDONJSA-N	-2	3	321.376	0.266	10	0		DCAEHL
C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000530152229	417544750	/nfs/dbraw/zinc/54/47/50/417544750.db2.gz	IGQQSGBJCWSTBI-AYHNYZOXSA-N	-2	3	303.340	0.198	10	0		DCAEHL
COc1nc(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n[n-]1	ZINC000194443336	395797462	/nfs/dbraw/zinc/79/74/62/395797462.db2.gz	KUVMSVKJRREGMR-YFKPBYRVSA-N	-2	3	309.248	0.455	10	0		DCAEHL
COc1n[n-]c(NC(=O)[C@@H]([N-]C(=O)C(F)(F)F)C(C)C)n1	ZINC000194443336	395797465	/nfs/dbraw/zinc/79/74/65/395797465.db2.gz	KUVMSVKJRREGMR-YFKPBYRVSA-N	-2	3	309.248	0.455	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(=O)[O-])C2)cn1C	ZINC000070556162	396102582	/nfs/dbraw/zinc/10/25/82/396102582.db2.gz	KXVLMRKCMCITJB-UWVGGRQHSA-N	-2	3	301.368	0.650	10	0		DCAEHL
O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CCCC[C@H]1O	ZINC000134716918	545801518	/nfs/dbraw/zinc/80/15/18/545801518.db2.gz	OWNUINLIWACQSN-HTQZYQBOSA-N	-2	3	320.392	0.671	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]CC2(CO)CCCC2)c1	ZINC000694189129	976677885	/nfs/dbraw/zinc/67/78/85/976677885.db2.gz	NHSAQAKTKAVGCP-UHFFFAOYSA-N	-2	3	303.336	0.809	10	0		DCAEHL
O=C([O-])CCNC(=O)[C@@H](Cc1ccccc1)CP(=O)([O-])[O-]	ZINC000013734454	395688941	/nfs/dbraw/zinc/68/89/41/395688941.db2.gz	IZIVKIRABKNNOP-NSHDSACASA-N	-3	3	315.262	0.614	10	0		DCAEHL
CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3nnn[n-]3)CC2)c1	ZINC000357068378	416029281	/nfs/dbraw/zinc/02/92/81/416029281.db2.gz	HGQPKHOBGJRODF-UHFFFAOYSA-N	-2	3	302.294	0.283	10	0		DCAEHL
CC(=O)Nc1ccc([O-])c(C(=O)NC2(c3nn[n-]n3)CC2)c1	ZINC000357068378	416029284	/nfs/dbraw/zinc/02/92/84/416029284.db2.gz	HGQPKHOBGJRODF-UHFFFAOYSA-N	-2	3	302.294	0.283	10	0		DCAEHL
Cc1nc(C)c(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])s1	ZINC000380343741	333192475	/nfs/dbraw/zinc/19/24/75/333192475.db2.gz	WHQOETCNQYJUIA-UHFFFAOYSA-N	-2	3	316.364	0.660	10	0		DCAEHL
C[C@H]([N-]S(=O)(=O)c1cn(C)cn1)c1nc(C(=O)[O-])cs1	ZINC000090941614	545716368	/nfs/dbraw/zinc/71/63/68/545716368.db2.gz	WELMVIRQBDLILV-LURJTMIESA-N	-2	3	316.364	0.614	10	0		DCAEHL
N[C@H](CC(=O)[O-])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000034046037	571749641	/nfs/dbraw/zinc/74/96/41/571749641.db2.gz	ZARXTZFGQZBYFO-ZYHUDNBSSA-N	-2	3	319.317	0.082	10	0	endogenous,in-man	DCAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CO[C@H](C3CC3)C2)o1	ZINC000691319992	976352517	/nfs/dbraw/zinc/35/25/17/976352517.db2.gz	YQOIAXVCAMNVOK-SCZZXKLOSA-N	-2	3	301.320	0.824	10	0		DCAEHL
C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[S@@](C)=O	ZINC000694213532	976684055	/nfs/dbraw/zinc/68/40/55/976684055.db2.gz	XPPZVBFJUQQBPL-ULCDLSAGSA-N	-2	3	309.365	0.413	10	0		DCAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]CCn2ccnc2)s1	ZINC000041063981	183161093	/nfs/dbraw/zinc/16/10/93/183161093.db2.gz	ZUYSIQRDJCEXIC-UHFFFAOYSA-N	-2	3	315.376	0.550	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(=O)[O-])C2)cn1C	ZINC000070556164	396102912	/nfs/dbraw/zinc/10/29/12/396102912.db2.gz	KXVLMRKCMCITJB-ZJUUUORDSA-N	-2	3	301.368	0.650	10	0		DCAEHL
O=C([O-])C[C@H](CC[N-]S(=O)(=O)c1c[nH]cn1)C(F)(F)F	ZINC000312347926	396764554	/nfs/dbraw/zinc/76/45/54/396764554.db2.gz	HOPRNRPJHVJVLJ-LURJTMIESA-N	-2	3	315.273	0.731	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])n2)c[nH]1	ZINC000541000163	287914930	/nfs/dbraw/zinc/91/49/30/287914930.db2.gz	BPLDZMKNJHJHIH-UHFFFAOYSA-N	-2	3	310.335	0.332	10	0		DCAEHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-]	ZINC000159543442	545860357	/nfs/dbraw/zinc/86/03/57/545860357.db2.gz	QVZCYSPDRQVMMY-MLUIRONXSA-N	-2	3	311.718	0.591	10	0		DCAEHL
COC(=O)c1sccc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1	ZINC000164921091	292043567	/nfs/dbraw/zinc/04/35/67/292043567.db2.gz	CUYAAMJFVYXSBY-UHFFFAOYSA-N	-2	3	319.360	0.820	10	0		DCAEHL
C[C@@H](O)[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-]	ZINC000037462140	395727467	/nfs/dbraw/zinc/72/74/67/395727467.db2.gz	KOSHUYJFAUUTLM-MLUIRONXSA-N	-2	3	311.718	0.591	10	0		DCAEHL
O=C([O-])[C@@H](Cc1ccc(O)cc1)[N-]S(=O)(=O)c1c[nH]cn1	ZINC000070415415	396101097	/nfs/dbraw/zinc/10/10/97/396101097.db2.gz	KQKTYQMUONVRJX-SNVBAGLBSA-N	-2	3	311.319	0.090	10	0		DCAEHL
Cc1ncc(S(=O)(=O)[N-][C@H](Cc2c[nH]cn2)C(=O)[O-])s1	ZINC000230012492	395877422	/nfs/dbraw/zinc/87/74/22/395877422.db2.gz	WVDUEJZQFDPQPE-MRVPVSSYSA-N	-2	3	316.364	0.149	10	0		DCAEHL
Cc1ncc(S(=O)(=O)[N-][C@H](Cc2cnc[nH]2)C(=O)[O-])s1	ZINC000230012492	395877424	/nfs/dbraw/zinc/87/74/24/395877424.db2.gz	WVDUEJZQFDPQPE-MRVPVSSYSA-N	-2	3	316.364	0.149	10	0		DCAEHL
COc1cc(C(=O)NC2(c3nnn[n-]3)CC2)cc(OC)c1[O-]	ZINC000574217695	397247121	/nfs/dbraw/zinc/24/71/21/397247121.db2.gz	DOBGEQQOSLHBOL-UHFFFAOYSA-N	-2	3	305.294	0.342	10	0		DCAEHL
COc1cc(C(=O)NC2(c3nn[n-]n3)CC2)cc(OC)c1[O-]	ZINC000574217695	397247122	/nfs/dbraw/zinc/24/71/22/397247122.db2.gz	DOBGEQQOSLHBOL-UHFFFAOYSA-N	-2	3	305.294	0.342	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)(F)F)c[nH]1	ZINC000560417967	288501482	/nfs/dbraw/zinc/50/14/82/288501482.db2.gz	KWGBRVXGECXKSU-ZCFIWIBFSA-N	-2	3	315.273	0.650	10	0		DCAEHL
C[C@@H](O)CC(C)(C)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000393582140	337093040	/nfs/dbraw/zinc/09/30/40/337093040.db2.gz	KGECAAQBXRVLIN-SSDOTTSWSA-N	-2	3	305.356	0.183	10	0		DCAEHL
CC[C@@H](C[N-]S(=O)(=O)c1cn(CC)c(C)n1)CC(=O)[O-]	ZINC000147384532	287030120	/nfs/dbraw/zinc/03/01/20/287030120.db2.gz	OFLPEZUOVGAIQV-SNVBAGLBSA-N	-2	3	303.384	0.991	10	0		DCAEHL
CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211081	976682607	/nfs/dbraw/zinc/68/26/07/976682607.db2.gz	HHPWSIVSMBVGST-XPUUQOCRSA-N	-2	3	309.365	0.369	10	0		DCAEHL
CCOC(=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694213486	976683883	/nfs/dbraw/zinc/68/38/83/976683883.db2.gz	XERJLDZAWXTACG-UHFFFAOYSA-N	-2	3	305.308	0.599	10	0		DCAEHL
CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC000050265455	395837895	/nfs/dbraw/zinc/83/78/95/395837895.db2.gz	VULHVJOHHBBLCT-GZMMTYOYSA-N	-2	3	303.384	0.989	10	0		DCAEHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCC(=O)[O-])c(C)o1	ZINC000262907456	396191305	/nfs/dbraw/zinc/19/13/05/396191305.db2.gz	HBFQEKZFDDODHK-SSDOTTSWSA-N	-2	3	318.351	0.479	10	0		DCAEHL
CCC1([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCOCC1	ZINC000389474204	336394281	/nfs/dbraw/zinc/39/42/81/336394281.db2.gz	OFXMVHSNHARSLX-UHFFFAOYSA-N	-2	3	303.340	0.345	10	0		DCAEHL
O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccnc1F)C1CC1	ZINC000690514841	976313591	/nfs/dbraw/zinc/31/35/91/976313591.db2.gz	LNZPVUFIVUVXEC-VIFPVBQESA-N	-2	3	302.327	1.000	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CC23CCOCC3)c1	ZINC000694179311	976676459	/nfs/dbraw/zinc/67/64/59/976676459.db2.gz	XUQZRLVLRWBPGC-VIFPVBQESA-N	-2	3	301.320	0.825	10	0		DCAEHL
CCOC(=O)CCS(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1	ZINC000090933007	395720021	/nfs/dbraw/zinc/72/00/21/395720021.db2.gz	MBHVMKCKAYRDKC-UHFFFAOYSA-N	-2	3	322.364	0.214	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(=O)[O-])C2)c1	ZINC000092890154	395733796	/nfs/dbraw/zinc/73/37/96/395733796.db2.gz	DCISIEWYBZJRDI-NXEZZACHSA-N	-2	3	301.368	0.825	10	0		DCAEHL
CCc1cnc(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])s1	ZINC000234240772	395888363	/nfs/dbraw/zinc/88/83/63/395888363.db2.gz	ZBQQNXARNXRNRH-UHFFFAOYSA-N	-2	3	316.364	0.605	10	0		DCAEHL
O=C([O-])C1(C[N-]S(=O)(=O)c2ccccc2F)CCOCC1	ZINC000165952409	416020545	/nfs/dbraw/zinc/02/05/45/416020545.db2.gz	SVASXWVSAQCWJA-UHFFFAOYSA-N	-2	3	317.338	0.985	10	0		DCAEHL
CO[C@H](CS(=O)(=O)[N-]C[C@@](C)(O)C(=O)[O-])c1ccccc1	ZINC000263474469	294464112	/nfs/dbraw/zinc/46/41/12/294464112.db2.gz	IVNCCWJKSPKEGO-DGCLKSJQSA-N	-2	3	317.363	0.129	10	0		DCAEHL
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@@H](C)O1	ZINC000686346117	976106249	/nfs/dbraw/zinc/10/62/49/976106249.db2.gz	AXFDMZXUMLLHBL-PRJMDXOYSA-N	-2	3	303.340	0.200	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2COC3(CCC3)C2)c1	ZINC000688310974	976175288	/nfs/dbraw/zinc/17/52/88/976175288.db2.gz	ISNSOLTXGOXOSZ-SECBINFHSA-N	-2	3	301.320	0.968	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]CCN2CCCCC2)c1	ZINC000694172560	976674922	/nfs/dbraw/zinc/67/49/22/976674922.db2.gz	MYOKIMJVCYOLOZ-UHFFFAOYSA-N	-2	3	302.352	0.742	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]CCN2CC=CCC2)c1	ZINC000694174693	976676117	/nfs/dbraw/zinc/67/61/17/976676117.db2.gz	PLVFHRKWISFPSS-UHFFFAOYSA-N	-2	3	300.336	0.518	10	0		DCAEHL
C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)N1CCCC1	ZINC000694176933	976676189	/nfs/dbraw/zinc/67/61/89/976676189.db2.gz	LGUJWQGAYAWXSI-VIFPVBQESA-N	-2	3	302.352	0.740	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](O)C2)c1	ZINC000694183876	976677768	/nfs/dbraw/zinc/67/77/68/976677768.db2.gz	SDZBNMISMJZYPT-SCZZXKLOSA-N	-2	3	303.336	0.807	10	0		DCAEHL
O=C([O-])Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO2)s1	ZINC000021789772	182289356	/nfs/dbraw/zinc/28/93/56/182289356.db2.gz	SLGSSQMJPOOMEK-QMMMGPOBSA-N	-2	3	305.377	0.833	10	0		DCAEHL
CC[C@H](C[N-]S(=O)(=O)c1cn(CC)c(C)n1)CC(=O)[O-]	ZINC000147384334	287030192	/nfs/dbraw/zinc/03/01/92/287030192.db2.gz	OFLPEZUOVGAIQV-JTQLQIEISA-N	-2	3	303.384	0.991	10	0		DCAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCOC2)c(F)c1	ZINC000092114729	545721616	/nfs/dbraw/zinc/72/16/16/545721616.db2.gz	HNFHJHNGHFCRLD-SECBINFHSA-N	-2	3	303.311	0.981	10	0		DCAEHL
CCn1cnnc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694148660	976669539	/nfs/dbraw/zinc/66/95/39/976669539.db2.gz	NTYPXAYQIQDFLN-UHFFFAOYSA-N	-2	3	300.296	0.068	10	0		DCAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2O)o1	ZINC000085976732	545705979	/nfs/dbraw/zinc/70/59/79/545705979.db2.gz	ZRTYLUYRKJLMGE-BDAKNGLRSA-N	-2	3	303.336	0.807	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)[O-])C2)c1	ZINC000092890152	395733931	/nfs/dbraw/zinc/73/39/31/395733931.db2.gz	DCISIEWYBZJRDI-VHSXEESVSA-N	-2	3	301.368	0.825	10	0		DCAEHL
CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cn(CC)c(C)n1)C(=O)[O-]	ZINC000050265452	395838092	/nfs/dbraw/zinc/83/80/92/395838092.db2.gz	VULHVJOHHBBLCT-KCJUWKMLSA-N	-2	3	303.384	0.989	10	0		DCAEHL
Cc1noc(CC[N-]S(=O)(=O)c2scnc2C(=O)[O-])n1	ZINC000231881799	395886196	/nfs/dbraw/zinc/88/61/96/395886196.db2.gz	ZEVUCBDNUGDNHI-UHFFFAOYSA-N	-2	3	318.336	0.054	10	0		DCAEHL
Cc1cc(=O)n(-c2cc(S(=O)(=O)[O-])cc(C(=O)[O-])c2O)[n-]1	ZINC000033349519	301066425	/nfs/dbraw/zinc/06/64/25/301066425.db2.gz	ZBXAIZOEHBHVOA-UHFFFAOYSA-N	-3	3	314.275	0.125	10	0		DCAEHL
C[C@@H]1C[C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H](C)O1	ZINC000686346114	976104825	/nfs/dbraw/zinc/10/48/25/976104825.db2.gz	AXFDMZXUMLLHBL-CSMHCCOUSA-N	-2	3	303.340	0.200	10	0		DCAEHL
Cc1ncc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCSC2)s1	ZINC000235937584	395893307	/nfs/dbraw/zinc/89/33/07/395893307.db2.gz	XWPLZTPJIUQMNB-SECBINFHSA-N	-2	3	308.406	0.690	10	0		DCAEHL
COCC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-]	ZINC000052785865	395869847	/nfs/dbraw/zinc/86/98/47/395869847.db2.gz	VMHHHGKNLHYILN-VIFPVBQESA-N	-2	3	309.290	0.733	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)c1	ZINC000092890093	415543229	/nfs/dbraw/zinc/54/32/29/415543229.db2.gz	OERFGWVRKAGXDY-UHFFFAOYSA-N	-2	3	313.335	0.981	10	0		DCAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2O)o1	ZINC000085976739	545707188	/nfs/dbraw/zinc/70/71/88/545707188.db2.gz	ZRTYLUYRKJLMGE-RKDXNWHRSA-N	-2	3	303.336	0.807	10	0		DCAEHL
CO[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-]	ZINC000700704026	666754653	/nfs/dbraw/zinc/75/46/53/666754653.db2.gz	XSBFOIBYHREIMP-VIFPVBQESA-N	-2	3	318.123	0.984	10	0		DCAEHL
Nc1nc2c(c(=O)[n-]1)N[C@H](CNc1ccc(C(=O)[O-])cc1)CN2	ZINC000013513941	257133724	/nfs/dbraw/zinc/13/37/24/257133724.db2.gz	OXIZGFYJYJOABB-SECBINFHSA-N	-2	3	316.321	0.781	10	0	in-vitro	DCAEHL
C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[S@](C)=O	ZINC000694213534	976683576	/nfs/dbraw/zinc/68/35/76/976683576.db2.gz	XPPZVBFJUQQBPL-VIIUKITBSA-N	-2	3	309.365	0.413	10	0		DCAEHL
COCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-]	ZINC000052785868	395869483	/nfs/dbraw/zinc/86/94/83/395869483.db2.gz	UEBOJZACWFXQAF-SNVBAGLBSA-N	-2	3	309.290	0.733	10	0		DCAEHL
COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(OC)ccc2[O-])C1	ZINC000262687501	396172597	/nfs/dbraw/zinc/17/25/97/396172597.db2.gz	BAZGHCOPMWDXEG-OAHLLOKOSA-N	-2	3	309.318	0.964	10	0		DCAEHL
C[C@H]1CCCN(S(=O)(=O)[N-]c2cnn(C)c2C(=O)[O-])C1	ZINC000536989358	287862642	/nfs/dbraw/zinc/86/26/42/287862642.db2.gz	IOCJYWOSMNTCEZ-QMMMGPOBSA-N	-2	3	302.356	0.507	10	0		DCAEHL
O=C(c1c([O-])cc(F)cc1F)N1CCc2nc[n-]c(=O)c2C1	ZINC000179118995	545897730	/nfs/dbraw/zinc/89/77/30/545897730.db2.gz	PVCCRUJVMPXMJF-UHFFFAOYSA-N	-2	3	307.256	0.952	10	0		DCAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CO[C@@H](C3CC3)C2)o1	ZINC000691319991	976353892	/nfs/dbraw/zinc/35/38/92/976353892.db2.gz	YQOIAXVCAMNVOK-PSASIEDQSA-N	-2	3	301.320	0.824	10	0		DCAEHL
CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)OCCO	ZINC000694209144	976680956	/nfs/dbraw/zinc/68/09/56/976680956.db2.gz	CSGJDPGBASDGAX-UHFFFAOYSA-N	-2	3	307.324	0.044	10	0		DCAEHL
CS[C@H](CO)[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211077	976682206	/nfs/dbraw/zinc/68/22/06/976682206.db2.gz	HHPWSIVSMBVGST-HTRCEHHLSA-N	-2	3	309.365	0.369	10	0		DCAEHL
CC1(C)OCC[C@@H]1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000663431496	418019911	/nfs/dbraw/zinc/01/99/11/418019911.db2.gz	KOBGYSVLAJXERR-SSDOTTSWSA-N	-2	3	303.340	0.201	10	0		DCAEHL
C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])O1	ZINC000656723589	418373548	/nfs/dbraw/zinc/37/35/48/418373548.db2.gz	LUPCMMGCFLLESZ-SFYZADRCSA-N	-2	3	303.340	0.344	10	0		DCAEHL
C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])O1	ZINC000656723590	418373616	/nfs/dbraw/zinc/37/36/16/418373616.db2.gz	LUPCMMGCFLLESZ-YUMQZZPRSA-N	-2	3	303.340	0.344	10	0		DCAEHL
CO[C@@H](CS(=O)(=O)[N-]C[C@](C)(O)C(=O)[O-])c1ccccc1	ZINC000263474468	293550610	/nfs/dbraw/zinc/55/06/10/293550610.db2.gz	IVNCCWJKSPKEGO-AAEUAGOBSA-N	-2	3	317.363	0.129	10	0		DCAEHL
Nc1cc(=O)n(S(=O)(=O)c2ccc([O-])c3ncccc23)[n-]1	ZINC000584653065	337381157	/nfs/dbraw/zinc/38/11/57/337381157.db2.gz	IERKBHMQWUICPQ-UHFFFAOYSA-N	-2	3	306.303	0.343	10	0		DCAEHL
CS[C@H]1CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000235118971	661355794	/nfs/dbraw/zinc/35/57/94/661355794.db2.gz	AUIIUQBKYCEHAA-BQBZGAKWSA-N	-2	3	305.381	0.670	10	0		DCAEHL
O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)o1	ZINC000085976728	545706835	/nfs/dbraw/zinc/70/68/35/545706835.db2.gz	ZRTYLUYRKJLMGE-IUCAKERBSA-N	-2	3	303.336	0.807	10	0		DCAEHL
CS(=O)(=O)CCS(=O)(=O)[N-]c1cc(Cl)ccc1[O-]	ZINC000063143287	184273903	/nfs/dbraw/zinc/27/39/03/184273903.db2.gz	HQFOPWGGCXQYDA-UHFFFAOYSA-N	-2	3	313.784	0.832	10	0		DCAEHL
Cc1noc(C)c1C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000092325997	395730376	/nfs/dbraw/zinc/73/03/76/395730376.db2.gz	ZXCMIQUATOSOIY-UHFFFAOYSA-N	-2	3	300.296	0.191	10	0		DCAEHL
Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])c1cnn(C)c1	ZINC000130837342	395924060	/nfs/dbraw/zinc/92/40/60/395924060.db2.gz	MXWNKQBXZAADAU-VIFPVBQESA-N	-2	3	314.323	0.129	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]Cc2nc(C)c(C(=O)[O-])s2)c[nH]1	ZINC000070419023	396101105	/nfs/dbraw/zinc/10/11/05/396101105.db2.gz	PROMPNMELCHYTK-UHFFFAOYSA-N	-2	3	316.364	0.660	10	0		DCAEHL
CCn1cnc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c1	ZINC000312733163	396766896	/nfs/dbraw/zinc/76/68/96/396766896.db2.gz	WKFGGPUMFBTWOX-LURJTMIESA-N	-2	3	315.273	0.587	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)cn1C	ZINC000090932967	415532563	/nfs/dbraw/zinc/53/25/63/415532563.db2.gz	SMAWHVYHWQYZQU-UHFFFAOYSA-N	-2	3	316.364	0.362	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CO[C@@H](C3CC3)C2)c1	ZINC000691337336	976353756	/nfs/dbraw/zinc/35/37/56/976353756.db2.gz	SSWXXJVRVKHKGE-VHSXEESVSA-N	-2	3	301.320	0.824	10	0		DCAEHL
CS[C@H](CO)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000694211078	976682218	/nfs/dbraw/zinc/68/22/18/976682218.db2.gz	HHPWSIVSMBVGST-POYBYMJQSA-N	-2	3	309.365	0.369	10	0		DCAEHL
COCCS(=O)(=O)[N-]c1ccc(NC(C)=O)cc1C(=O)[O-]	ZINC000042808281	183311474	/nfs/dbraw/zinc/31/14/74/183311474.db2.gz	IRZJZKABHILFEN-UHFFFAOYSA-N	-2	3	316.335	0.731	10	0		DCAEHL
Cc1nc(S(=O)(=O)[N-]CCc2ccc(C(=O)[O-])cc2)c[nH]1	ZINC000070418714	396101406	/nfs/dbraw/zinc/10/14/06/396101406.db2.gz	FKJHZYGIFQGJSR-UHFFFAOYSA-N	-2	3	309.347	0.937	10	0		DCAEHL
COc1nc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)n[n-]1	ZINC000182991406	416235586	/nfs/dbraw/zinc/23/55/86/416235586.db2.gz	SYGPYZOXKKGNGG-UHFFFAOYSA-N	-2	3	314.305	0.853	10	0		DCAEHL
COc1nnc(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)[n-]1	ZINC000182991406	416235589	/nfs/dbraw/zinc/23/55/89/416235589.db2.gz	SYGPYZOXKKGNGG-UHFFFAOYSA-N	-2	3	314.305	0.853	10	0		DCAEHL
COc1n[n-]c(NC(=O)c2cc(=O)n(-c3ccc(C)cc3)[n-]2)n1	ZINC000182991406	416235593	/nfs/dbraw/zinc/23/55/93/416235593.db2.gz	SYGPYZOXKKGNGG-UHFFFAOYSA-N	-2	3	314.305	0.853	10	0		DCAEHL
Cn1cnc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c1	ZINC000094744787	303018781	/nfs/dbraw/zinc/01/87/81/303018781.db2.gz	FXJSHRJIOHIHLQ-ZJUUUORDSA-N	-2	3	301.368	0.732	10	0		DCAEHL
O=C([O-])c1coc(S(=O)(=O)[N-]CC2(O)CCCCC2)c1	ZINC000694190380	976678061	/nfs/dbraw/zinc/67/80/61/976678061.db2.gz	VKKISXNYGPBQOV-UHFFFAOYSA-N	-2	3	303.336	0.951	10	0		DCAEHL
O=C([O-])C1([N-]S(=O)(=O)c2ccccc2F)CCOCC1	ZINC000131802550	158305947	/nfs/dbraw/zinc/30/59/47/158305947.db2.gz	PCGHBVYXOUELPV-UHFFFAOYSA-N	-2	3	303.311	0.738	10	0		DCAEHL
O=C([O-])c1csc(C[N-]S(=O)(=O)c2cncc(F)c2)n1	ZINC000090932972	415530248	/nfs/dbraw/zinc/53/02/48/415530248.db2.gz	VHOBGHCKZBLELZ-UHFFFAOYSA-N	-2	3	317.323	0.854	10	0		DCAEHL
O=c1nc(CC[N-]S(=O)(=O)c2cnc(Cl)c(F)c2)[n-]o1	ZINC000392287501	685262484	/nfs/dbraw/zinc/26/24/84/685262484.db2.gz	CEVQYBLKEUYCBS-UHFFFAOYSA-N	-2	3	322.705	0.071	10	0		DCAEHL
O=C([O-])/C=C\C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000383719628	685243741	/nfs/dbraw/zinc/24/37/41/685243741.db2.gz	DFBJJPFGLWMHES-UPHRSURJSA-N	-2	3	304.255	0.653	10	0		DCAEHL
C[C@@H]1C[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])[C@H](C)O1	ZINC000686346116	976106391	/nfs/dbraw/zinc/10/63/91/976106391.db2.gz	AXFDMZXUMLLHBL-GJMOJQLCSA-N	-2	3	303.340	0.200	10	0		DCAEHL
C[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)[S@@](C)=O	ZINC000694213529	976683603	/nfs/dbraw/zinc/68/36/03/976683603.db2.gz	XPPZVBFJUQQBPL-LWESTGQBSA-N	-2	3	309.365	0.413	10	0		DCAEHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-]	ZINC000159549608	291235255	/nfs/dbraw/zinc/23/52/55/291235255.db2.gz	YEQMMYSJAXGFQH-SSDOTTSWSA-N	-2	3	324.717	0.086	10	0		DCAEHL
Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)O)sc1Cl	ZINC000231806455	395885678	/nfs/dbraw/zinc/88/56/78/395885678.db2.gz	MMEMUFISJCCVCB-IYSWYEEDSA-N	-2	3	313.784	0.822	10	0		DCAEHL
O=C([N-]S(=O)(=O)c1ccc2n[n-]nc2c1)[C@@H]1[C@@H]2CCCO[C@H]12	ZINC000408505175	160120289	/nfs/dbraw/zinc/12/02/89/160120289.db2.gz	WKVBFTIAMJNKKN-AXTRIDKLSA-N	-2	3	322.346	0.188	10	0		DCAEHL