smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1c([O-])nc(SCC(=O)Nc2nc3ccc(C(=O)OC)cc3s2)[n-]c1=O	ZINC000002835287	557398508	/nfs/dbraw/zinc/39/85/08/557398508.db2.gz	SRVMMKIWYPLCJE-UHFFFAOYSA-N	-2	3	420.472	2.165	50	0		HEAAHL
CSc1nc([O-])c(C(c2ccc(F)cc2)C2C(=O)N=C(SC)NC2=O)c(=O)[n-]1	ZINC000008716677	557801861	/nfs/dbraw/zinc/80/18/61/557801861.db2.gz	LMXZZLNEEGSZHB-UHFFFAOYSA-N	-2	3	422.463	2.028	50	0		HEAAHL
CSc1nc([O-])c(C(c2ccc(F)cc2)C2C(=O)N=C(SC)[N-]C2=O)c(=O)[n-]1	ZINC000008716677	557801865	/nfs/dbraw/zinc/80/18/65/557801865.db2.gz	LMXZZLNEEGSZHB-UHFFFAOYSA-N	-3	3	422.463	2.028	50	0		HEAAHL
COc1cc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000009356401	557839008	/nfs/dbraw/zinc/83/90/08/557839008.db2.gz	VQPMCGXYTJKISY-UHFFFAOYSA-N	-3	3	422.825	2.466	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000005022183	559229395	/nfs/dbraw/zinc/22/93/95/559229395.db2.gz	ONTWLJTVVSVKPA-MJGOQNOKSA-N	-2	3	407.426	2.301	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100909609	560762563	/nfs/dbraw/zinc/76/25/63/560762563.db2.gz	ASMIFBZETFUJDX-DOTOQJQBSA-N	-2	3	413.817	2.256	50	0		HEAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(CCc3ccncc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360398	569151482	/nfs/dbraw/zinc/15/14/82/569151482.db2.gz	SIRKLDMZCVAPDS-NRFANRHFSA-N	-2	3	422.485	2.258	50	0		HEAAHL
COc1ccccc1N1CCN(C(=O)Cc2c(C)c3c([O-])cc([O-])cc3oc2=O)CC1	ZINC000009306517	537065185	/nfs/dbraw/zinc/06/51/85/537065185.db2.gz	XEWOMXOIRZVUNS-UHFFFAOYSA-N	-2	3	424.453	2.413	50	0		HEAAHL
COc1cc(-c2ccc([N-]S(C)(=O)=O)c(OC)c2)ccc1[N-]S(C)(=O)=O	ZINC000000662768	557044171	/nfs/dbraw/zinc/04/41/71/557044171.db2.gz	ZHXYIDBPLDDPQM-UHFFFAOYSA-N	-2	3	400.478	2.114	50	0		HEAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1ccc(OC)c(OC)c1	ZINC000101495073	560796079	/nfs/dbraw/zinc/79/60/79/560796079.db2.gz	CXCVBOSZSBYFCI-LBPRGKRZSA-N	-2	3	418.475	2.253	50	0		HEAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1ccc(OC)c(OC)c1	ZINC000101495075	560796120	/nfs/dbraw/zinc/79/61/20/560796120.db2.gz	CXCVBOSZSBYFCI-GFCCVEGCSA-N	-2	3	418.475	2.253	50	0		HEAAHL
CSc1nc2c(c(=O)[n-]1)C(c1cnn(C)c1C)c1c(=O)[n-]c(SC)nc1N2	ZINC000670416046	568766363	/nfs/dbraw/zinc/76/63/63/568766363.db2.gz	BVWQXFCBRGHVLG-UHFFFAOYSA-N	-2	3	403.493	2.401	50	0		HEAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357962	569149415	/nfs/dbraw/zinc/14/94/15/569149415.db2.gz	LQQHNDROHIFTEC-HXUWFJFHSA-N	-2	3	408.458	2.215	50	0		HEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000000917279	557117859	/nfs/dbraw/zinc/11/78/59/557117859.db2.gz	LVBDFSUCRNZALE-UHFFFAOYSA-N	-2	3	420.472	2.087	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100934929	560763278	/nfs/dbraw/zinc/76/32/78/560763278.db2.gz	ONTWLJTVVSVKPA-IEBWSBKVSA-N	-2	3	407.426	2.301	50	0		HEAAHL
CS(=O)(=O)[N-]c1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1F	ZINC000095424598	568607777	/nfs/dbraw/zinc/60/77/77/568607777.db2.gz	MUZAWMQQKIQGMU-KRWDZBQOSA-N	-2	3	419.434	2.104	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281919	568959082	/nfs/dbraw/zinc/95/90/82/568959082.db2.gz	QAVKCTBJJVXIIA-WBVHZDCISA-N	-2	3	413.817	2.256	50	0		HEAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c2ccccc21	ZINC000036354091	569147954	/nfs/dbraw/zinc/14/79/54/569147954.db2.gz	HNVVHLUGGRBPLV-OAQYLSRUSA-N	-2	3	408.458	2.064	50	0		HEAAHL
CSc1nc([O-])c(C(c2ccc(C)cc2)C2C(=O)N=C(SC)NC2=O)c(=O)[n-]1	ZINC000016225220	558779454	/nfs/dbraw/zinc/77/94/54/558779454.db2.gz	RNYBYGQYCNNBES-UHFFFAOYSA-N	-2	3	418.500	2.197	50	0		HEAAHL
CSc1nc([O-])c(C(c2ccc(C)cc2)C2C(=O)N=C(SC)[N-]C2=O)c(=O)[n-]1	ZINC000016225220	558779457	/nfs/dbraw/zinc/77/94/57/558779457.db2.gz	RNYBYGQYCNNBES-UHFFFAOYSA-N	-3	3	418.500	2.197	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccccc2OC)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100117711	559155707	/nfs/dbraw/zinc/15/57/07/559155707.db2.gz	DSGRLFQRBDLZQS-RDJZCZTQSA-N	-2	3	413.817	2.256	50	0		HEAAHL
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000005023829	559229922	/nfs/dbraw/zinc/22/99/22/559229922.db2.gz	OIXQBWWUZLQPJW-WBVHZDCISA-N	-2	3	413.817	2.256	50	0		HEAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C(=O)[O-])cc1	ZINC000033007394	568510325	/nfs/dbraw/zinc/51/03/25/568510325.db2.gz	HMVGAZMCUHWZKL-UHFFFAOYSA-N	-2	3	406.460	2.421	50	0		HEAAHL
CC(C)[C@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)[N-]OCc1ccccc1	ZINC000023040128	558531191	/nfs/dbraw/zinc/53/11/91/558531191.db2.gz	DCGGXPWFBIDCKX-INIZCTEOSA-N	-2	3	420.516	2.242	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2cccc(OC)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000013659099	558559299	/nfs/dbraw/zinc/55/92/99/558559299.db2.gz	WTZGRCIZQMWTLS-HKUYNNGSSA-N	-2	3	423.425	2.001	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000018063234	560774506	/nfs/dbraw/zinc/77/45/06/560774506.db2.gz	GTCNFIYRHSJUQB-HKUYNNGSSA-N	-2	3	423.425	2.001	50	0		HEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cc(OC)cc(OC)c4)c(=O)c2=3)c1	ZINC000101260869	560851498	/nfs/dbraw/zinc/85/14/98/560851498.db2.gz	MNSZSQFUAPDRFK-QZTJIDSGSA-N	-2	3	412.402	2.219	50	0		HEAAHL
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccnn2CC(C)C)c(OC)c1	ZINC000095445267	568611743	/nfs/dbraw/zinc/61/17/43/568611743.db2.gz	RDUYWTOGFJOPMI-UHFFFAOYSA-N	-2	3	416.525	2.110	50	0		HEAAHL
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nc(C(C)C)nn2C)cc1F	ZINC000095448001	568612433	/nfs/dbraw/zinc/61/24/33/568612433.db2.gz	WQCMQMMWZHULAU-UHFFFAOYSA-N	-2	3	419.504	2.030	50	0		HEAAHL
O=C(COC(=O)c1c([O-])cc(F)cc1F)[N-]C(=O)c1ccc(OC(F)F)cc1	ZINC000058026525	568878011	/nfs/dbraw/zinc/87/80/11/568878011.db2.gz	RDKVKYHBYVICTE-UHFFFAOYSA-N	-2	3	401.268	2.385	50	0		HEAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3ccncc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357526	569148939	/nfs/dbraw/zinc/14/89/39/569148939.db2.gz	DWJXLAFMIGPCSG-FQEVSTJZSA-N	-2	3	408.458	2.215	50	0		HEAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c1C(=O)[O-]	ZINC000036360099	569151362	/nfs/dbraw/zinc/15/13/62/569151362.db2.gz	YONDSDIGTUWXJY-FQEVSTJZSA-N	-2	3	408.458	2.215	50	0		HEAAHL
C[N-]S(=O)(=O)c1cc(Br)ccc1[S@](=O)c1ccccc1C(=O)[O-]	ZINC000006161594	557692197	/nfs/dbraw/zinc/69/21/97/557692197.db2.gz	RKQQOWLIGPREBW-QFIPXVFZSA-N	-2	3	418.290	2.222	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100934933	560763298	/nfs/dbraw/zinc/76/32/98/560763298.db2.gz	ONTWLJTVVSVKPA-HKUYNNGSSA-N	-2	3	407.426	2.301	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100935199	560763306	/nfs/dbraw/zinc/76/33/06/560763306.db2.gz	GTCNFIYRHSJUQB-IEBWSBKVSA-N	-2	3	423.425	2.001	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccccc2OC)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942436	560763435	/nfs/dbraw/zinc/76/34/35/560763435.db2.gz	QVJBNCUQBNXYME-MJGOQNOKSA-N	-2	3	423.425	2.001	50	0		HEAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(CCc3ccccn3)CC2)c1C(=O)[O-]	ZINC000036359687	569151636	/nfs/dbraw/zinc/15/16/36/569151636.db2.gz	VMBOGOSWPKRASZ-NRFANRHFSA-N	-2	3	422.485	2.258	50	0		HEAAHL
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)cc2)C1	ZINC000032081563	526316832	/nfs/dbraw/zinc/31/68/32/526316832.db2.gz	PZNJRFCSXWKAPH-VIFPVBQESA-N	-2	3	414.361	2.342	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100932729	559141965	/nfs/dbraw/zinc/14/19/65/559141965.db2.gz	OUDGQSGPULAIOQ-MJGOQNOKSA-N	-2	3	407.426	2.301	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2cccc(OC)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100945018	560763470	/nfs/dbraw/zinc/76/34/70/560763470.db2.gz	WTZGRCIZQMWTLS-PKOBYXMFSA-N	-2	3	423.425	2.001	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccccc2OC)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942446	560763493	/nfs/dbraw/zinc/76/34/93/560763493.db2.gz	QVJBNCUQBNXYME-HKUYNNGSSA-N	-2	3	423.425	2.001	50	0		HEAAHL
CCN(CCN(C)C)c1ncc([N-]S(=O)(=O)c2ccccc2C)cc1C(=O)[O-]	ZINC000035397478	569034820	/nfs/dbraw/zinc/03/48/20/569034820.db2.gz	UVWYNRGXZLFTSS-UHFFFAOYSA-N	-2	3	406.508	2.277	50	0		HEAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C(=O)[O-])cc1	ZINC000064461975	569063165	/nfs/dbraw/zinc/06/31/65/569063165.db2.gz	YMPZZWPTLPPTNB-UHFFFAOYSA-N	-2	3	419.503	2.336	50	0		HEAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2C(=O)[O-])CC1	ZINC000064580576	569068559	/nfs/dbraw/zinc/06/85/59/569068559.db2.gz	CUGJQBPXOBYCBT-UHFFFAOYSA-N	-2	3	419.503	2.336	50	0		HEAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359377	569150624	/nfs/dbraw/zinc/15/06/24/569150624.db2.gz	CABFWLVJSFKPGD-HXUWFJFHSA-N	-2	3	408.458	2.215	50	0		HEAAHL
CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1	ZINC000023075496	558533267	/nfs/dbraw/zinc/53/32/67/558533267.db2.gz	WWNGUSNIAHAARE-UHFFFAOYSA-N	-2	3	401.437	2.047	50	0		HEAAHL
CCN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036366459	569152586	/nfs/dbraw/zinc/15/25/86/569152586.db2.gz	FAHVMVNDKDNCLQ-KRWDZBQOSA-N	-2	3	424.295	2.252	50	0		HEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cc(OC)cc(OC)c4)c(=O)c2=3)c1	ZINC000101260866	560789954	/nfs/dbraw/zinc/78/99/54/560789954.db2.gz	MNSZSQFUAPDRFK-ROUUACIJSA-N	-2	3	412.402	2.219	50	0		HEAAHL
O=C([O-])CCCNc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1C(=O)[O-]	ZINC000002912978	568816071	/nfs/dbraw/zinc/81/60/71/568816071.db2.gz	LJPZARGEVWUBRZ-UHFFFAOYSA-N	-4	3	422.415	2.161	50	0		HEAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1	ZINC000064461864	569063112	/nfs/dbraw/zinc/06/31/12/569063112.db2.gz	DLYMOVRZNGQKJZ-UHFFFAOYSA-N	-2	3	407.467	2.467	50	0		HEAAHL
Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)c(C(=O)[O-])c1	ZINC000064580553	569068501	/nfs/dbraw/zinc/06/85/01/569068501.db2.gz	RHCMOUVMSMHBPA-UHFFFAOYSA-N	-2	3	407.467	2.385	50	0		HEAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3ccncc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357527	569148917	/nfs/dbraw/zinc/14/89/17/569148917.db2.gz	DWJXLAFMIGPCSG-HXUWFJFHSA-N	-2	3	408.458	2.215	50	0		HEAAHL
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)cc2)C1	ZINC000032081565	527658082	/nfs/dbraw/zinc/65/80/82/527658082.db2.gz	PZNJRFCSXWKAPH-SECBINFHSA-N	-2	3	414.361	2.342	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000004996064	557622705	/nfs/dbraw/zinc/62/27/05/557622705.db2.gz	OUDGQSGPULAIOQ-PKOBYXMFSA-N	-2	3	407.426	2.301	50	0		HEAAHL
Cc1c(CC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000013627223	558551306	/nfs/dbraw/zinc/55/13/06/558551306.db2.gz	FBAVWNUXULCCCE-UHFFFAOYSA-N	-2	3	408.454	2.400	50	0		HEAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100208421	559177561	/nfs/dbraw/zinc/17/75/61/559177561.db2.gz	BVYZWNAJSRGEHM-LSDHHAIUSA-N	-2	3	401.781	2.040	50	0		HEAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100208425	559177568	/nfs/dbraw/zinc/17/75/68/559177568.db2.gz	BVYZWNAJSRGEHM-GJZGRUSLSA-N	-2	3	401.781	2.040	50	0		HEAAHL
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c(OC)c1	ZINC000095994100	568678329	/nfs/dbraw/zinc/67/83/29/568678329.db2.gz	DBXCJYIFFRIJMV-UHFFFAOYSA-N	-2	3	405.885	2.306	50	0		HEAAHL
CCc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1	ZINC000058009250	568875140	/nfs/dbraw/zinc/87/51/40/568875140.db2.gz	TXRCNZITNVBKLA-UHFFFAOYSA-N	-2	3	403.504	2.500	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000004996065	557622776	/nfs/dbraw/zinc/62/27/76/557622776.db2.gz	OUDGQSGPULAIOQ-HKUYNNGSSA-N	-2	3	407.426	2.301	50	0		HEAAHL
C[N-]S(=O)(=O)c1cc(Br)ccc1[S@@](=O)c1ccccc1C(=O)[O-]	ZINC000006161593	557692137	/nfs/dbraw/zinc/69/21/37/557692137.db2.gz	RKQQOWLIGPREBW-JOCHJYFZSA-N	-2	3	418.290	2.222	50	0		HEAAHL
CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccco2)C1	ZINC000009060557	557821210	/nfs/dbraw/zinc/82/12/10/557821210.db2.gz	PIHLUDXCLREFLL-HNNXBMFYSA-N	-2	3	405.432	2.194	50	0		HEAAHL
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2O)ccc1[O-]	ZINC000072301036	558750924	/nfs/dbraw/zinc/75/09/24/558750924.db2.gz	KQMPGZGIBORDAI-UHFFFAOYSA-N	-2	3	402.222	2.448	50	0		HEAAHL
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)cc1	ZINC000058009125	568875203	/nfs/dbraw/zinc/87/52/03/568875203.db2.gz	DXYBGBXSCHEDSR-UHFFFAOYSA-N	-2	3	417.487	2.140	50	0		HEAAHL
Nc1nccnc1C(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-]	ZINC000012743058	568929946	/nfs/dbraw/zinc/92/99/46/568929946.db2.gz	JXXWQNFGXWQWSY-UHFFFAOYSA-N	-2	3	419.850	2.471	50	0		HEAAHL
CN1CCN([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036353070	569147598	/nfs/dbraw/zinc/14/75/98/569147598.db2.gz	MFNUHOBJGVBTAB-KRWDZBQOSA-N	-2	3	424.295	2.252	50	0		HEAAHL
Cc1c(CC(=O)NCc2nc(-c3ccccc3)no2)c(=O)oc2cc([O-])cc([O-])c12	ZINC000009576497	571269838	/nfs/dbraw/zinc/26/98/38/571269838.db2.gz	MFUMURIVHYAKKC-UHFFFAOYSA-N	-2	3	407.382	2.422	50	0		HEAAHL
Cc1ccc(-n2c(=O)[n-]c(=O)c3c2NC(=O)[N-]C3(C(F)(F)F)C(F)(F)F)cc1	ZINC000000721360	557070566	/nfs/dbraw/zinc/07/05/66/557070566.db2.gz	GFFVEEGAUDORCT-UHFFFAOYSA-N	-2	3	408.258	2.289	50	0		HEAAHL
CC(C)[C@@H]([N-]S(=O)(=O)c1cccc2nsnc21)C(=O)[N-]OCc1ccccc1	ZINC000023040127	558531245	/nfs/dbraw/zinc/53/12/45/558531245.db2.gz	DCGGXPWFBIDCKX-MRXNPFEDSA-N	-2	3	420.516	2.242	50	0		HEAAHL
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100946850	560763566	/nfs/dbraw/zinc/76/35/66/560763566.db2.gz	OIXQBWWUZLQPJW-RDJZCZTQSA-N	-2	3	413.817	2.256	50	0		HEAAHL
CCc1ccccc1S(=O)(=O)[N-]c1ccc(N2CCN(C)CC2)cc1C(=O)[O-]	ZINC000064461985	569063126	/nfs/dbraw/zinc/06/31/26/569063126.db2.gz	GXQARSRGNVRYBV-UHFFFAOYSA-N	-2	3	403.504	2.500	50	0		HEAAHL
CCOC(=O)[C@@]([N-]c1cc(C)on1)([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002187752	569293672	/nfs/dbraw/zinc/29/36/72/569293672.db2.gz	QXMDJUHRIDOFTD-CQSZACIVSA-N	-2	3	407.370	2.195	50	0	biogenic	HEAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000012376513	558392140	/nfs/dbraw/zinc/39/21/40/558392140.db2.gz	IBCWCPCOCVOGKE-CABCVRRESA-N	-2	3	417.343	2.266	50	0		HEAAHL
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)c(F)c1	ZINC000072306295	558765558	/nfs/dbraw/zinc/76/55/58/558765558.db2.gz	QTECADPXZSPPGI-UHFFFAOYSA-N	-2	3	414.386	2.108	50	0		HEAAHL
COc1c(Br)cc(/C=C2\NC(=S)[N-]C2=O)c([O-])c1Br	ZINC000100285686	559133704	/nfs/dbraw/zinc/13/37/04/559133704.db2.gz	SXRFSHQJTLAUJM-UTCJRWHESA-N	-2	3	408.071	2.271	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100935202	560763269	/nfs/dbraw/zinc/76/32/69/560763269.db2.gz	GTCNFIYRHSJUQB-MJGOQNOKSA-N	-2	3	423.425	2.001	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2cccc(OC)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000018154853	560780174	/nfs/dbraw/zinc/78/01/74/560780174.db2.gz	WTZGRCIZQMWTLS-MJGOQNOKSA-N	-2	3	423.425	2.001	50	0		HEAAHL
COc1ccc2c(c1)c([C@@H](C(=O)[O-])N1CCN(c3ccccn3)CC1)cn2CC(=O)[O-]	ZINC000036353252	569147706	/nfs/dbraw/zinc/14/77/06/569147706.db2.gz	RYCNJGYXQTZTFG-NRFANRHFSA-N	-2	3	424.457	2.077	50	0		HEAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c2ccccc21	ZINC000036354090	569147914	/nfs/dbraw/zinc/14/79/14/569147914.db2.gz	HNVVHLUGGRBPLV-NRFANRHFSA-N	-2	3	408.458	2.064	50	0		HEAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3ccncc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036358299	569149552	/nfs/dbraw/zinc/14/95/52/569149552.db2.gz	KQVRIBUYBWACAS-HXUWFJFHSA-N	-2	3	408.458	2.215	50	0		HEAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(CCc3ccncc3)CC2)c1C(=O)[O-]	ZINC000036364986	569152560	/nfs/dbraw/zinc/15/25/60/569152560.db2.gz	GBBLYCZLVRJNRJ-NRFANRHFSA-N	-2	3	422.485	2.258	50	0		HEAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000004751586	559048924	/nfs/dbraw/zinc/04/89/24/559048924.db2.gz	BVYZWNAJSRGEHM-CABCVRRESA-N	-2	3	401.781	2.040	50	0		HEAAHL
COc1c2c(cc3c1[C@H](c1c(=O)[n-]c(=S)n(C4CC4)c1[O-])N(C)CC3)OCO2	ZINC000100751010	559262853	/nfs/dbraw/zinc/26/28/53/559262853.db2.gz	PWGHRTPTKRAICO-CQSZACIVSA-N	-2	3	403.460	2.261	50	0	biogenic	HEAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1cc(OC)ccc1OC	ZINC000101765768	560799402	/nfs/dbraw/zinc/79/94/02/560799402.db2.gz	YUIUGEKRKCXISY-CYBMUJFWSA-N	-2	3	418.475	2.253	50	0		HEAAHL
COc1c2c(cc3c1[C@H](c1c(=O)[n-]c(=S)n(C4CC4)c1[O-])N(C)CC3)OCO2	ZINC000020410740	568605211	/nfs/dbraw/zinc/60/52/11/568605211.db2.gz	NSKCYNSTAYDPOK-CQSZACIVSA-N	-2	3	403.460	2.261	50	0	biogenic	HEAAHL
CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cccc(F)c2)CC1	ZINC000058009408	568875433	/nfs/dbraw/zinc/87/54/33/568875433.db2.gz	IDXWWJXQKQCYKK-UHFFFAOYSA-N	-2	3	407.467	2.467	50	0		HEAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)c(C(=O)[O-])c2)CC1	ZINC000064461881	569063149	/nfs/dbraw/zinc/06/31/49/569063149.db2.gz	GHCPFFGEAHCWEV-UHFFFAOYSA-N	-2	3	419.503	2.336	50	0		HEAAHL
COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1c([O-])nc([O-])n(Cc2ccccc2)c1=O	ZINC000009012718	571210992	/nfs/dbraw/zinc/21/09/92/571210992.db2.gz	GAFYNYNAOBLSGP-FQEVSTJZSA-N	-2	3	418.453	2.428	50	0	biogenic	HEAAHL
CCOC(=O)c1ccc(NC(=O)c2[n-]nnc2[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000004635094	558945395	/nfs/dbraw/zinc/94/53/95/558945395.db2.gz	ZPOYCSMXHUROCY-UHFFFAOYSA-N	-2	3	415.431	2.035	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942583	560763484	/nfs/dbraw/zinc/76/34/84/560763484.db2.gz	KVTHYQGSNCKZAW-IEBWSBKVSA-N	-2	3	407.426	2.301	50	0		HEAAHL
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100946863	560763545	/nfs/dbraw/zinc/76/35/45/560763545.db2.gz	OIXQBWWUZLQPJW-NVXWUHKLSA-N	-2	3	413.817	2.256	50	0		HEAAHL
COc1c2c(cc3c1[C@@H](c1c(=O)[n-]c(=S)n(C4CC4)c1[O-])N(C)CC3)OCO2	ZINC000018210644	560784554	/nfs/dbraw/zinc/78/45/54/560784554.db2.gz	NSKCYNSTAYDPOK-AWEZNQCLSA-N	-2	3	403.460	2.261	50	0	biogenic	HEAAHL
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281894	568959130	/nfs/dbraw/zinc/95/91/30/568959130.db2.gz	KVTHYQGSNCKZAW-HKUYNNGSSA-N	-2	3	407.426	2.301	50	0		HEAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3ccncc3)CC2)c2ccccc21	ZINC000036358602	569150208	/nfs/dbraw/zinc/15/02/08/569150208.db2.gz	RLQNQKXPWIZCSU-OAQYLSRUSA-N	-2	3	408.458	2.064	50	0		HEAAHL
CCN(CCN(C)C)c1ncc([N-]S(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-]	ZINC000035397477	569034837	/nfs/dbraw/zinc/03/48/37/569034837.db2.gz	CSJUDCOQNGKDKZ-UHFFFAOYSA-N	-2	3	410.471	2.108	50	0		HEAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2C(=O)[O-])cc1	ZINC000064461953	569063119	/nfs/dbraw/zinc/06/31/19/569063119.db2.gz	FUFZRAAOVRGJIT-UHFFFAOYSA-N	-2	3	403.504	2.500	50	0		HEAAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)cc1	ZINC000064580552	569068544	/nfs/dbraw/zinc/06/85/44/569068544.db2.gz	SKOLHQIPOAKPLW-UHFFFAOYSA-N	-2	3	419.503	2.336	50	0		HEAAHL
CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2C(=O)[O-])CC1	ZINC000064580554	569068572	/nfs/dbraw/zinc/06/85/72/569068572.db2.gz	YFDVFUQBCFAVOT-UHFFFAOYSA-N	-2	3	411.430	2.216	50	0		HEAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3ccncc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036358298	569149507	/nfs/dbraw/zinc/14/95/07/569149507.db2.gz	KQVRIBUYBWACAS-FQEVSTJZSA-N	-2	3	408.458	2.215	50	0		HEAAHL
Nc1[nH]c(=S)[n-]c(=O)c1C(c1ccc(Cl)cc1)c1c(N)[nH]c(=S)[n-]c1=O	ZINC000017173012	558824827	/nfs/dbraw/zinc/82/48/27/558824827.db2.gz	CBFACNGGGVFELG-UHFFFAOYSA-N	-2	3	408.896	2.176	50	0		HEAAHL
CC[N-]S(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000097162348	558998179	/nfs/dbraw/zinc/99/81/79/558998179.db2.gz	OPDPOKIFTIBLBT-UHFFFAOYSA-N	-2	3	409.464	2.473	50	0		HEAAHL
CCN(CCN(C)C)c1ncc([N-]S(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-]	ZINC000035397469	569034834	/nfs/dbraw/zinc/03/48/34/569034834.db2.gz	GOYDFZANAMVMLP-UHFFFAOYSA-N	-2	3	406.508	2.277	50	0		HEAAHL
Cn1c2ccccc2c([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c1C(=O)[O-]	ZINC000036356870	569148473	/nfs/dbraw/zinc/14/84/73/569148473.db2.gz	IFCLIQDHWIZNAZ-FQEVSTJZSA-N	-2	3	408.458	2.215	50	0		HEAAHL
CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000032962235	518409554	/nfs/dbraw/zinc/40/95/54/518409554.db2.gz	LCTSOJHDGBBVRO-UHFFFAOYSA-N	-2	3	404.444	2.225	50	0		HEAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2ccc(F)cc21	ZINC000040288561	527642151	/nfs/dbraw/zinc/64/21/51/527642151.db2.gz	QBTWDKPVQBBLQL-HXUWFJFHSA-N	-2	3	412.421	2.208	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281893	568959035	/nfs/dbraw/zinc/95/90/35/568959035.db2.gz	KVTHYQGSNCKZAW-MJGOQNOKSA-N	-2	3	407.426	2.301	50	0		HEAAHL
COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](Cc1ccccc1)C(=O)[O-]	ZINC000007986227	568964732	/nfs/dbraw/zinc/96/47/32/568964732.db2.gz	FTHJHAUTKHTXBN-CYBMUJFWSA-N	-2	3	414.277	2.432	50	0		HEAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c1C(=O)[O-]	ZINC000036356871	569148491	/nfs/dbraw/zinc/14/84/91/569148491.db2.gz	IFCLIQDHWIZNAZ-HXUWFJFHSA-N	-2	3	408.458	2.215	50	0		HEAAHL
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)cc2)C1	ZINC000032082481	526316969	/nfs/dbraw/zinc/31/69/69/526316969.db2.gz	RMCOHCMHTZTIFU-HNNXBMFYSA-N	-2	3	400.456	2.414	50	0		HEAAHL
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)CCC4)cc2)C1	ZINC000032082483	527658240	/nfs/dbraw/zinc/65/82/40/527658240.db2.gz	RMCOHCMHTZTIFU-OAHLLOKOSA-N	-2	3	400.456	2.414	50	0		HEAAHL
Nc1[nH]c(=S)[n-]c(=O)c1C(c1ccccc1Cl)c1c(N)[nH]c(=S)[n-]c1=O	ZINC000004334667	557543037	/nfs/dbraw/zinc/54/30/37/557543037.db2.gz	JBPGQHORCDYOLT-UHFFFAOYSA-N	-2	3	408.896	2.176	50	0		HEAAHL
O=C([O-])c1cc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1OC(F)F	ZINC000072273510	558699233	/nfs/dbraw/zinc/69/92/33/558699233.db2.gz	NKUCMQFDLVKUJN-UHFFFAOYSA-N	-3	3	404.303	2.401	50	0		HEAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100165693	559167878	/nfs/dbraw/zinc/16/78/78/559167878.db2.gz	IBCWCPCOCVOGKE-HUUCEWRRSA-N	-2	3	417.343	2.266	50	0		HEAAHL
CCOC([O-])=NC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000003393626	560594067	/nfs/dbraw/zinc/59/40/67/560594067.db2.gz	HKRHQTIDOZLJGF-UHFFFAOYSA-N	-2	3	420.443	2.225	50	0		HEAAHL
CCOC(=O)[N-]C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1	ZINC000003393626	560594069	/nfs/dbraw/zinc/59/40/69/560594069.db2.gz	HKRHQTIDOZLJGF-UHFFFAOYSA-N	-2	3	420.443	2.225	50	0		HEAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(CCc3ccncc3)CC2)c2ccccc21	ZINC000095481254	568633635	/nfs/dbraw/zinc/63/36/35/568633635.db2.gz	HXYWJUVAUUZMLP-QFIPXVFZSA-N	-2	3	422.485	2.107	50	0		HEAAHL
O=C([O-])c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1	ZINC000001156746	568775118	/nfs/dbraw/zinc/77/51/18/568775118.db2.gz	VNJFEEZJUVVZBF-LBTNJELSSA-N	-2	3	408.332	2.489	50	0		HEAAHL
CSc1nc([O-])c(C(c2ccccc2F)C2C(=O)N=C(SC)NC2=O)c(=O)[n-]1	ZINC000035254499	569015246	/nfs/dbraw/zinc/01/52/46/569015246.db2.gz	SZMHXATVEKRUPY-UHFFFAOYSA-N	-2	3	422.463	2.028	50	0		HEAAHL
CSc1nc([O-])c(C(c2ccccc2F)C2C(=O)N=C(SC)[N-]C2=O)c(=O)[n-]1	ZINC000035254499	569015247	/nfs/dbraw/zinc/01/52/47/569015247.db2.gz	SZMHXATVEKRUPY-UHFFFAOYSA-N	-3	3	422.463	2.028	50	0		HEAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(CCc3ccccn3)CC2)c2ccccc21	ZINC000036353646	569147836	/nfs/dbraw/zinc/14/78/36/569147836.db2.gz	INUSZXOHIDHFFG-JOCHJYFZSA-N	-2	3	422.485	2.107	50	0		HEAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c2ccccc21	ZINC000036367165	569152676	/nfs/dbraw/zinc/15/26/76/569152676.db2.gz	PHYAETGUWRKPRX-OAQYLSRUSA-N	-2	3	408.458	2.064	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccccc2OC)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000008837355	571123504	/nfs/dbraw/zinc/12/35/04/571123504.db2.gz	QVJBNCUQBNXYME-PKOBYXMFSA-N	-2	3	423.425	2.001	50	0		HEAAHL
CN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000032961738	523925821	/nfs/dbraw/zinc/92/58/21/523925821.db2.gz	PPGPBDRJAWUTLF-UHFFFAOYSA-N	-2	3	411.430	2.216	50	0		HEAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100208429	559177581	/nfs/dbraw/zinc/17/75/81/559177581.db2.gz	BVYZWNAJSRGEHM-HUUCEWRRSA-N	-2	3	401.781	2.040	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccccc2OC)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942431	560763402	/nfs/dbraw/zinc/76/34/02/560763402.db2.gz	QVJBNCUQBNXYME-IEBWSBKVSA-N	-2	3	423.425	2.001	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2cccc(OC)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100945013	560763534	/nfs/dbraw/zinc/76/35/34/560763534.db2.gz	WTZGRCIZQMWTLS-IEBWSBKVSA-N	-2	3	423.425	2.001	50	0		HEAAHL
CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(OC)cc2)CC1	ZINC000058009357	568875351	/nfs/dbraw/zinc/87/53/51/568875351.db2.gz	KDBOGGOJPXWLRW-UHFFFAOYSA-N	-2	3	419.503	2.336	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281918	568959057	/nfs/dbraw/zinc/95/90/57/568959057.db2.gz	QAVKCTBJJVXIIA-NVXWUHKLSA-N	-2	3	413.817	2.256	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281915	568959116	/nfs/dbraw/zinc/95/91/16/568959116.db2.gz	ASMIFBZETFUJDX-WBVHZDCISA-N	-2	3	413.817	2.256	50	0		HEAAHL
COc1ccc2c(c1)c([C@H](C(=O)[O-])N1CCN(c3ccccn3)CC1)cn2CC(=O)[O-]	ZINC000036353254	569147709	/nfs/dbraw/zinc/14/77/09/569147709.db2.gz	RYCNJGYXQTZTFG-OAQYLSRUSA-N	-2	3	424.457	2.077	50	0		HEAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c1C(=O)[O-]	ZINC000036360100	569151346	/nfs/dbraw/zinc/15/13/46/569151346.db2.gz	YONDSDIGTUWXJY-HXUWFJFHSA-N	-2	3	408.458	2.215	50	0		HEAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(CCc3ccncc3)CC2)c1C(=O)[O-]	ZINC000036364988	569152554	/nfs/dbraw/zinc/15/25/54/569152554.db2.gz	GBBLYCZLVRJNRJ-OAQYLSRUSA-N	-2	3	422.485	2.258	50	0		HEAAHL
COc1ccc(CCNC(=O)Cc2c(C)c3c([O-])cc([O-])cc3oc2=O)cc1OC	ZINC000008490556	571056407	/nfs/dbraw/zinc/05/64/07/571056407.db2.gz	UOJVKJZEBPWZMD-UHFFFAOYSA-N	-2	3	413.426	2.431	50	0	biogenic	HEAAHL
O=C([O-])c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1	ZINC000011859245	558836316	/nfs/dbraw/zinc/83/63/16/558836316.db2.gz	VNJFEEZJUVVZBF-IYOUNJFTSA-N	-2	3	408.332	2.489	50	0		HEAAHL
O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)c(C(=O)[O-])c2)c1	ZINC000058163578	558906602	/nfs/dbraw/zinc/90/66/02/558906602.db2.gz	PJXFPLNMFOMCBC-UHFFFAOYSA-N	-3	3	422.484	2.437	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100564404	559227925	/nfs/dbraw/zinc/22/79/25/559227925.db2.gz	QAVKCTBJJVXIIA-DOTOQJQBSA-N	-2	3	413.817	2.256	50	0		HEAAHL
CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2nnc(CC)s2)cc1F	ZINC000095448006	568612494	/nfs/dbraw/zinc/61/24/94/568612494.db2.gz	TUHOVBWBWJKELA-UHFFFAOYSA-N	-2	3	408.502	2.192	50	0		HEAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1	ZINC000064580574	569068523	/nfs/dbraw/zinc/06/85/23/569068523.db2.gz	XEDARENWARMMGA-UHFFFAOYSA-N	-2	3	407.467	2.467	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccccc2OC)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004451782	558587927	/nfs/dbraw/zinc/58/79/27/558587927.db2.gz	DSGRLFQRBDLZQS-DOTOQJQBSA-N	-2	3	413.817	2.256	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000005022180	559229433	/nfs/dbraw/zinc/22/94/33/559229433.db2.gz	ONTWLJTVVSVKPA-PKOBYXMFSA-N	-2	3	407.426	2.301	50	0		HEAAHL
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)S(=O)(=O)[N-]C=N3)cc1Cl	ZINC000015682359	568968773	/nfs/dbraw/zinc/96/87/73/568968773.db2.gz	FZAOXLRRANPQSI-UHFFFAOYSA-N	-2	3	401.853	2.101	50	0		HEAAHL
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000005023828	559229890	/nfs/dbraw/zinc/22/98/90/559229890.db2.gz	OIXQBWWUZLQPJW-DOTOQJQBSA-N	-2	3	413.817	2.256	50	0		HEAAHL
CCOC(=O)[N-]C(=S)Nc1cc2[nH]cnc2cc1[N-]C(=S)NC(=O)OCC	ZINC000019912354	560872521	/nfs/dbraw/zinc/87/25/21/560872521.db2.gz	RGGVOUPAZXEYMM-UHFFFAOYSA-N	-2	3	410.481	2.449	50	0		HEAAHL
COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1c([O-])nc([O-])n(Cc2ccccc2)c1=O	ZINC000009012719	571211010	/nfs/dbraw/zinc/21/10/10/571211010.db2.gz	GAFYNYNAOBLSGP-HXUWFJFHSA-N	-2	3	418.453	2.428	50	0	biogenic	HEAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100165692	559167841	/nfs/dbraw/zinc/16/78/41/559167841.db2.gz	IBCWCPCOCVOGKE-GJZGRUSLSA-N	-2	3	417.343	2.266	50	0		HEAAHL
O=C([O-])c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1	ZINC000004269843	568956565	/nfs/dbraw/zinc/95/65/65/568956565.db2.gz	VNJFEEZJUVVZBF-HBUWYVDXSA-N	-2	3	408.332	2.489	50	0		HEAAHL
O=C([O-])c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)cc1	ZINC000004269841	568956639	/nfs/dbraw/zinc/95/66/39/568956639.db2.gz	VNJFEEZJUVVZBF-PMUMKWKESA-N	-2	3	408.332	2.489	50	0		HEAAHL
COc1cc(S(=O)(=O)[N-]CCOc2ccc(C(=O)[O-])cc2)c(OC)cc1Cl	ZINC000004727439	557587659	/nfs/dbraw/zinc/58/76/59/557587659.db2.gz	FSQFFHCRYRLGTN-UHFFFAOYSA-N	-2	3	415.851	2.413	50	0		HEAAHL
CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2O1	ZINC000020763329	568642653	/nfs/dbraw/zinc/64/26/53/568642653.db2.gz	BQFWHEBDCDOCTN-HNNXBMFYSA-N	-2	3	413.426	2.327	50	0	biogenic	HEAAHL
CCN1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000058009351	568875278	/nfs/dbraw/zinc/87/52/78/568875278.db2.gz	QRFJNMYAFFZCCA-UHFFFAOYSA-N	-2	3	407.467	2.467	50	0		HEAAHL
CCN(CCN(C)C)c1ncc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1C(=O)[O-]	ZINC000035397479	569034925	/nfs/dbraw/zinc/03/49/25/569034925.db2.gz	DFWHOTKDEITAII-UHFFFAOYSA-N	-2	3	424.498	2.416	50	0		HEAAHL
CCO[N-]C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc21	ZINC000012973661	558490237	/nfs/dbraw/zinc/49/02/37/558490237.db2.gz	KNEDIROAUMVBJZ-UHFFFAOYSA-N	-2	3	405.407	2.149	50	0		HEAAHL
COc1c2c(cc3c1[C@@H](c1c(=O)[n-]c(=S)n(C4CC4)c1[O-])N(C)CC3)OCO2	ZINC000100751014	559262843	/nfs/dbraw/zinc/26/28/43/559262843.db2.gz	PWGHRTPTKRAICO-AWEZNQCLSA-N	-2	3	403.460	2.261	50	0	biogenic	HEAAHL
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942586	560763540	/nfs/dbraw/zinc/76/35/40/560763540.db2.gz	KVTHYQGSNCKZAW-PKOBYXMFSA-N	-2	3	407.426	2.301	50	0		HEAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1cc(OC)ccc1OC	ZINC000101765763	560799601	/nfs/dbraw/zinc/79/96/01/560799601.db2.gz	YUIUGEKRKCXISY-ZDUSSCGKSA-N	-2	3	418.475	2.253	50	0		HEAAHL
CS(=O)(=O)[N-]c1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1F	ZINC000095424599	568607793	/nfs/dbraw/zinc/60/77/93/568607793.db2.gz	MUZAWMQQKIQGMU-QGZVFWFLSA-N	-2	3	419.434	2.104	50	0		HEAAHL
O=S(=O)([N-]c1ccc(Br)cc1)c1ccc2c(c1)S(=O)(=O)[N-]C=N2	ZINC000015682366	568968642	/nfs/dbraw/zinc/96/86/42/568968642.db2.gz	UNCQPAVNTWRAQI-UHFFFAOYSA-N	-2	3	416.278	2.202	50	0		HEAAHL
CCN1CCN(c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2C(=O)[O-])CC1	ZINC000064580590	569068518	/nfs/dbraw/zinc/06/85/18/569068518.db2.gz	SZRAWCULZDUJFB-UHFFFAOYSA-N	-2	3	407.467	2.467	50	0		HEAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(CCc3ccncc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360399	569151520	/nfs/dbraw/zinc/15/15/20/569151520.db2.gz	SIRKLDMZCVAPDS-OAQYLSRUSA-N	-2	3	422.485	2.258	50	0		HEAAHL
Cn1c2ccccc2c([C@H](C(=O)[O-])N2CCN(CCc3ccccn3)CC2)c1C(=O)[O-]	ZINC000036359688	569151663	/nfs/dbraw/zinc/15/16/63/569151663.db2.gz	VMBOGOSWPKRASZ-OAQYLSRUSA-N	-2	3	422.485	2.258	50	0		HEAAHL
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000000917273	557117969	/nfs/dbraw/zinc/11/79/69/557117969.db2.gz	TYHXOVYFQAXETR-UHFFFAOYSA-N	-2	3	404.473	2.387	50	0		HEAAHL
O=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])cc([O-])c21)c1ccccc1	ZINC000001733878	557283513	/nfs/dbraw/zinc/28/35/13/557283513.db2.gz	RKKZDGOUSIOSIY-UHFFFAOYSA-N	-3	3	423.424	2.291	50	0		HEAAHL
CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccco2)C1	ZINC000009060558	557821176	/nfs/dbraw/zinc/82/11/76/557821176.db2.gz	PIHLUDXCLREFLL-OAHLLOKOSA-N	-2	3	405.432	2.194	50	0		HEAAHL
O=C([O-])c1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2[O-])cc1	ZINC000015869158	558759969	/nfs/dbraw/zinc/75/99/69/558759969.db2.gz	RTHSXCXBNQMFOM-UHFFFAOYSA-N	-2	3	405.823	2.450	50	0		HEAAHL
O=C([O-])c1c2c(sc1S(=O)(=O)[N-]c1ccc(-n3ccnc3)cc1)CNCC2	ZINC000067834043	558993498	/nfs/dbraw/zinc/99/34/98/558993498.db2.gz	PSWWTNDXUJSODG-UHFFFAOYSA-N	-2	3	404.473	2.079	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100932725	559141981	/nfs/dbraw/zinc/14/19/81/559141981.db2.gz	OUDGQSGPULAIOQ-IEBWSBKVSA-N	-2	3	407.426	2.301	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccccc2OC)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100117708	559155709	/nfs/dbraw/zinc/15/57/09/559155709.db2.gz	DSGRLFQRBDLZQS-WBVHZDCISA-N	-2	3	413.817	2.256	50	0		HEAAHL
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100935204	560763338	/nfs/dbraw/zinc/76/33/38/560763338.db2.gz	GTCNFIYRHSJUQB-PKOBYXMFSA-N	-2	3	423.425	2.001	50	0		HEAAHL
CCN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036366460	569152740	/nfs/dbraw/zinc/15/27/40/569152740.db2.gz	FAHVMVNDKDNCLQ-QGZVFWFLSA-N	-2	3	424.295	2.252	50	0		HEAAHL
O=c1[n-]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc([O-])c1Cc1ccccc1	ZINC000020517756	558383105	/nfs/dbraw/zinc/38/31/05/558383105.db2.gz	BGEOATHRNMAKGU-UHFFFAOYSA-N	-2	3	420.469	2.117	50	0		HEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cc(OC)cc(OC)c4)c(=O)c2=3)c1	ZINC000101260861	560851501	/nfs/dbraw/zinc/85/15/01/560851501.db2.gz	MNSZSQFUAPDRFK-ZWKOTPCHSA-N	-2	3	412.402	2.219	50	0		HEAAHL
COc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000007986226	568964698	/nfs/dbraw/zinc/96/46/98/568964698.db2.gz	FTHJHAUTKHTXBN-ZDUSSCGKSA-N	-2	3	414.277	2.432	50	0		HEAAHL
CCN(CCN(C)C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000064843926	569107685	/nfs/dbraw/zinc/10/76/85/569107685.db2.gz	XIMTXYVHMPVPFF-UHFFFAOYSA-N	-2	3	410.471	2.108	50	0		HEAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359376	569150657	/nfs/dbraw/zinc/15/06/57/569150657.db2.gz	CABFWLVJSFKPGD-FQEVSTJZSA-N	-2	3	408.458	2.215	50	0		HEAAHL
CC(C)[C@H](NC(=O)COc1ccc(C(=O)COc2ccccc2)c([O-])c1)C(=O)[O-]	ZINC000002124184	569285712	/nfs/dbraw/zinc/28/57/12/569285712.db2.gz	ZTWQMPFVZYJIRQ-FQEVSTJZSA-N	-2	3	401.415	2.258	50	0	biogenic	HEAAHL
CCOC(=O)[C@]([N-]c1cc(C)on1)([N-]S(=O)(=O)c1ccccc1)C(F)(F)F	ZINC000002187753	569293732	/nfs/dbraw/zinc/29/37/32/569293732.db2.gz	QXMDJUHRIDOFTD-AWEZNQCLSA-N	-2	3	407.370	2.195	50	0	biogenic	HEAAHL
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(N2CCNC2=O)ccc1F	ZINC000253429139	569368804	/nfs/dbraw/zinc/36/88/04/569368804.db2.gz	CAZRAWPCNLTVTD-UHFFFAOYSA-N	-2	3	407.423	2.417	50	0		HEAAHL
CCc1c([O-])nc(SCC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)[n-]c1=O	ZINC000012662264	569402741	/nfs/dbraw/zinc/40/27/41/569402741.db2.gz	WQLAGMMDTNEVTH-NSHDSACASA-N	-2	3	419.503	2.293	50	0	biogenic	HEAAHL
O=C(OCc1ccccc1)c1[n-][n-]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100165691	559167884	/nfs/dbraw/zinc/16/78/84/559167884.db2.gz	IBCWCPCOCVOGKE-LSDHHAIUSA-N	-2	3	417.343	2.266	50	0		HEAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036365233	569152148	/nfs/dbraw/zinc/15/21/48/569152148.db2.gz	PEOIBYQKPLKOLN-FQEVSTJZSA-N	-2	3	408.458	2.215	50	0		HEAAHL
C[C@@]1(c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2)NC(=O)[N-]C1=O	ZINC000032818934	525891783	/nfs/dbraw/zinc/89/17/83/525891783.db2.gz	YGWCVASCMSAPSF-INIZCTEOSA-N	-2	3	424.276	2.305	50	0		HEAAHL
COc1cc(OC)cc(-n2[n-][n-]c3c(=O)n(-c4cc(OC)cc(OC)c4)c(=O)c2=3)c1	ZINC000023125756	559013807	/nfs/dbraw/zinc/01/38/07/559013807.db2.gz	MNSZSQFUAPDRFK-MSOLQXFVSA-N	-2	3	412.402	2.219	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccccc2OC)c2c([O-])n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100117706	559155711	/nfs/dbraw/zinc/15/57/11/559155711.db2.gz	DSGRLFQRBDLZQS-NVXWUHKLSA-N	-2	3	413.817	2.256	50	0		HEAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@H]1c1ccc(OC)cc1OC	ZINC000101495154	560796389	/nfs/dbraw/zinc/79/63/89/560796389.db2.gz	CEQVXSMBBMXUEN-ZDUSSCGKSA-N	-2	3	418.475	2.253	50	0		HEAAHL
CCc1nn2c([n-]1)nc(CSc1nnc([N-]C(=O)c3cccs3)s1)cc2=O	ZINC000102621410	560818273	/nfs/dbraw/zinc/81/82/73/560818273.db2.gz	XCTZWUGCPMGQOD-UHFFFAOYSA-N	-2	3	419.517	2.438	50	0		HEAAHL
CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CCN(C)CC2)cc1	ZINC000058009265	568875230	/nfs/dbraw/zinc/87/52/30/568875230.db2.gz	NVBNRGKDDMSMJW-UHFFFAOYSA-N	-2	3	419.503	2.336	50	0		HEAAHL
Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357961	569149382	/nfs/dbraw/zinc/14/93/82/569149382.db2.gz	LQQHNDROHIFTEC-FQEVSTJZSA-N	-2	3	408.458	2.215	50	0		HEAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c2ccccc21	ZINC000036367163	569152672	/nfs/dbraw/zinc/15/26/72/569152672.db2.gz	PHYAETGUWRKPRX-NRFANRHFSA-N	-2	3	408.458	2.064	50	0		HEAAHL
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(I)cc2)ccc1O	ZINC000008835890	571123189	/nfs/dbraw/zinc/12/31/89/571123189.db2.gz	TURJZYHTQNJEHS-UHFFFAOYSA-N	-2	3	419.196	2.496	50	0		HEAAHL
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1OC	ZINC000033253663	558921941	/nfs/dbraw/zinc/92/19/41/558921941.db2.gz	CFCUHSIFVIVNSO-UHFFFAOYSA-N	-2	3	422.459	2.039	50	0		HEAAHL
CN1CCN([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036353072	569147530	/nfs/dbraw/zinc/14/75/30/569147530.db2.gz	MFNUHOBJGVBTAB-QGZVFWFLSA-N	-2	3	424.295	2.252	50	0		HEAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(CCc3ccccn3)CC2)c2ccccc21	ZINC000036353645	569147807	/nfs/dbraw/zinc/14/78/07/569147807.db2.gz	INUSZXOHIDHFFG-QFIPXVFZSA-N	-2	3	422.485	2.107	50	0		HEAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(Cc3ccncc3)CC2)c2ccccc21	ZINC000036358601	569150167	/nfs/dbraw/zinc/15/01/67/569150167.db2.gz	RLQNQKXPWIZCSU-NRFANRHFSA-N	-2	3	408.458	2.064	50	0		HEAAHL
Cn1cc([C@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036365235	569152139	/nfs/dbraw/zinc/15/21/39/569152139.db2.gz	PEOIBYQKPLKOLN-HXUWFJFHSA-N	-2	3	408.458	2.215	50	0		HEAAHL
Cc1sc2[n-]c(COC(=O)c3ccccc3[N-]S(C)(=O)=O)nc(=O)c2c1C	ZINC000008483296	571055045	/nfs/dbraw/zinc/05/50/45/571055045.db2.gz	IWNVBYZJLBRTBH-UHFFFAOYSA-N	-2	3	407.473	2.330	50	0		HEAAHL
C[C@]1(c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2)NC(=O)[N-]C1=O	ZINC000032818935	525318381	/nfs/dbraw/zinc/31/83/81/525318381.db2.gz	YGWCVASCMSAPSF-MRXNPFEDSA-N	-2	3	424.276	2.305	50	0		HEAAHL
O=C([O-])Cn1cc([C@@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c2ccc(F)cc21	ZINC000040288560	527641899	/nfs/dbraw/zinc/64/18/99/527641899.db2.gz	QBTWDKPVQBBLQL-FQEVSTJZSA-N	-2	3	412.421	2.208	50	0		HEAAHL
O=C1[N-]C(=O)c2cc(-c3ccc(/C=C4\C(=O)[N-]N(c5ccc(F)cc5)C4=O)o3)ccc21	ZINC000001187270	558836580	/nfs/dbraw/zinc/83/65/80/558836580.db2.gz	SLMLGEVIYAMSCR-LICLKQGHSA-N	-2	3	417.352	2.431	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100564403	559227968	/nfs/dbraw/zinc/22/79/68/559227968.db2.gz	QAVKCTBJJVXIIA-RDJZCZTQSA-N	-2	3	413.817	2.256	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000100909596	560762474	/nfs/dbraw/zinc/76/24/74/560762474.db2.gz	ASMIFBZETFUJDX-RDJZCZTQSA-N	-2	3	413.817	2.256	50	0		HEAAHL
CCC(=O)N1N=C(c2c(=O)[n-]c(=S)n(C)c2[O-])C[C@@H]1c1ccc(OC)cc1OC	ZINC000101495157	560796240	/nfs/dbraw/zinc/79/62/40/560796240.db2.gz	CEQVXSMBBMXUEN-CYBMUJFWSA-N	-2	3	418.475	2.253	50	0		HEAAHL
O=C([O-])Cn1cc([C@H](C(=O)[O-])N2CCN(CCc3ccncc3)CC2)c2ccccc21	ZINC000095481255	568633705	/nfs/dbraw/zinc/63/37/05/568633705.db2.gz	HXYWJUVAUUZMLP-JOCHJYFZSA-N	-2	3	422.485	2.107	50	0		HEAAHL
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c([O-])n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281914	568959017	/nfs/dbraw/zinc/95/90/17/568959017.db2.gz	ASMIFBZETFUJDX-NVXWUHKLSA-N	-2	3	413.817	2.256	50	0		HEAAHL
CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)c(C(=O)[O-])c2)cc1	ZINC000064580549	569068530	/nfs/dbraw/zinc/06/85/30/569068530.db2.gz	VACKMIWQTZLOOJ-UHFFFAOYSA-N	-2	3	403.504	2.500	50	0		HEAAHL