smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000001086669	194021102	/nfs/dbraw/zinc/02/11/02/194021102.db2.gz	HGYCJQWGARZSTJ-UHFFFAOYSA-N	-1	1	476.239	3.535	50	10		JHCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000001086669	194021105	/nfs/dbraw/zinc/02/11/05/194021105.db2.gz	HGYCJQWGARZSTJ-UHFFFAOYSA-N	-1	1	476.239	3.535	50	10		JHCAMM
COc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000002932060	554411959	/nfs/dbraw/zinc/41/19/59/554411959.db2.gz	XIINWLNJLCEDSW-UHFFFAOYSA-N	-1	1	492.307	3.700	50	10		JHCAMM
COc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000002932060	554411960	/nfs/dbraw/zinc/41/19/60/554411960.db2.gz	XIINWLNJLCEDSW-UHFFFAOYSA-N	-1	1	492.307	3.700	50	10		JHCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000002932060	554411963	/nfs/dbraw/zinc/41/19/63/554411963.db2.gz	XIINWLNJLCEDSW-UHFFFAOYSA-N	-1	1	492.307	3.700	50	10		JHCAMM
O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000009215645	554983437	/nfs/dbraw/zinc/98/34/37/554983437.db2.gz	ZMFHIAHZNDDXHL-ZHZULCJRSA-N	-1	1	496.639	3.813	50	10		JHCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1O	ZINC000096115811	569734852	/nfs/dbraw/zinc/73/48/52/569734852.db2.gz	UNZNEYCPXFEEGD-CYBMUJFWSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)O2	ZINC000096221263	569738798	/nfs/dbraw/zinc/73/87/98/569738798.db2.gz	DTJASHIVIOOMEP-LBPRGKRZSA-N	-1	1	477.381	3.632	50	10	biogenic	JHCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1	ZINC000002978140	194192054	/nfs/dbraw/zinc/19/20/54/194192054.db2.gz	QPMGISFXALTTRS-UHFFFAOYSA-N	-1	1	458.898	3.563	50	10		JHCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1	ZINC000002978140	194192055	/nfs/dbraw/zinc/19/20/55/194192055.db2.gz	QPMGISFXALTTRS-UHFFFAOYSA-N	-1	1	458.898	3.563	50	10		JHCAMM
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4)c3C)C(=O)NC2=S)cc1	ZINC000009934877	195027715	/nfs/dbraw/zinc/02/77/15/195027715.db2.gz	GXJCWQGXKHNKTN-FYJGNVAPSA-N	-1	1	475.526	3.632	50	10		JHCAMM
O=C([O-])c1ccc(N2C(=O)C[C@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1	ZINC000020462165	526373065	/nfs/dbraw/zinc/37/30/65/526373065.db2.gz	SRMDTIIGNZBGNS-HVVQPJKBSA-N	-1	1	472.931	3.572	50	10		JHCAMM
O=C([O-])c1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1	ZINC000020462165	526373069	/nfs/dbraw/zinc/37/30/69/526373069.db2.gz	SRMDTIIGNZBGNS-HVVQPJKBSA-N	-1	1	472.931	3.572	50	10		JHCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccc(Cl)cc1	ZINC000000665330	553741657	/nfs/dbraw/zinc/74/16/57/553741657.db2.gz	UHOXNXNFRYYRMP-UHFFFAOYSA-N	-1	1	451.729	3.596	50	10		JHCAMM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccccc4)N=C3C)cc2)s1	ZINC000009075707	554886988	/nfs/dbraw/zinc/88/69/88/554886988.db2.gz	HDKHUSGIFSBYMS-QGOAFFKASA-N	-1	1	468.564	3.620	50	10		JHCAMM
CCCc1cc(=O)[n-]c(SCC(=O)c2cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c2C)n1	ZINC000013930242	555648250	/nfs/dbraw/zinc/64/82/50/555648250.db2.gz	LXWVBPLGECVXEN-UHFFFAOYSA-N	-1	1	497.573	3.678	50	10		JHCAMM
COc1ccc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1	ZINC000096222682	569739575	/nfs/dbraw/zinc/73/95/75/569739575.db2.gz	PAAQPNJUHRLXIX-AWEZNQCLSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccccc4)N=C3C)cc2)s1	ZINC000100161674	569754351	/nfs/dbraw/zinc/75/43/51/569754351.db2.gz	HDKHUSGIFSBYMS-AQTBWJFISA-N	-1	1	468.564	3.620	50	10		JHCAMM
O=C1[N-]C(=S)SC1=Cc1cc(Cc2ccc(O)c(C=C3SC(=S)NC3=O)c2)ccc1O	ZINC000211039703	569876052	/nfs/dbraw/zinc/87/60/52/569876052.db2.gz	POLIJLORZAYUIL-VAQFQWRASA-N	-1	1	486.621	3.666	50	10		JHCAMM
COc1ccc(S(=O)(=O)Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2Br)cc1	ZINC000016115630	525092125	/nfs/dbraw/zinc/09/21/25/525092125.db2.gz	DGPZNUDZBZRVKR-DHDCSXOGSA-N	-1	1	486.390	3.714	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccc(C)cc1	ZINC000001173361	553923332	/nfs/dbraw/zinc/92/33/32/553923332.db2.gz	LHMOLNNMGYGSQO-UHFFFAOYSA-N	-1	1	475.364	3.650	50	10		JHCAMM
O=C(Oc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br)c1cccc2ccccc21	ZINC000008861531	554758762	/nfs/dbraw/zinc/75/87/62/554758762.db2.gz	FXGWGELIKFGQPY-UHFFFAOYSA-N	-1	1	465.259	3.571	50	10		JHCAMM
O=C(Oc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br)c1cccc2ccccc21	ZINC000008861531	554758764	/nfs/dbraw/zinc/75/87/64/554758764.db2.gz	FXGWGELIKFGQPY-UHFFFAOYSA-N	-1	1	465.259	3.571	50	10		JHCAMM
COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)[N-]C(=S)N(C)C3=O)c1C)CCCC2	ZINC000020035575	555609899	/nfs/dbraw/zinc/60/98/99/555609899.db2.gz	YCYQYHYFFBHAQI-XNTDXEJSSA-N	-1	1	457.577	3.918	50	10		JHCAMM
O=C([O-])c1ccccc1-c1ccc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)o1	ZINC000015821764	556010206	/nfs/dbraw/zinc/01/02/06/556010206.db2.gz	LCMUNKIQGYHHNV-BOPFTXTBSA-N	-1	1	453.248	3.869	50	10		JHCAMM
COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1O	ZINC000096114261	569733283	/nfs/dbraw/zinc/73/32/83/569733283.db2.gz	LLTQUKCCEHHCEL-ZDUSSCGKSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)cc1OCC(=O)[O-]	ZINC000096114423	569733475	/nfs/dbraw/zinc/73/34/75/569733475.db2.gz	YHRGRTOQMOSTGT-UHFFFAOYSA-N	-1	1	479.445	3.755	50	10	biogenic	JHCAMM
COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)ccc1O	ZINC000096115038	569734038	/nfs/dbraw/zinc/73/40/38/569734038.db2.gz	YRMLNHXDZAJKMI-CYBMUJFWSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000096221780	569739343	/nfs/dbraw/zinc/73/93/43/569739343.db2.gz	FWJNLDYZWOMVMK-CYBMUJFWSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1	ZINC000003005688	194200520	/nfs/dbraw/zinc/20/05/20/194200520.db2.gz	YUFDRNOQALVUOZ-WOJGMQOQSA-N	-1	1	450.447	3.924	50	10		JHCAMM
CC(=O)Oc1ccc(/N=N/c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1C(=O)[O-]	ZINC000003926596	194366880	/nfs/dbraw/zinc/36/68/80/194366880.db2.gz	ASLYKDBHQZVPHW-OCOZRVBESA-N	-1	1	469.479	3.933	50	10		JHCAMM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)o1	ZINC000002308687	554142933	/nfs/dbraw/zinc/14/29/33/554142933.db2.gz	KFZCZJOMZNSNQO-WJDWOHSUSA-N	-1	1	450.447	3.924	50	10		JHCAMM
CC[C@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000002977112	554416103	/nfs/dbraw/zinc/41/61/03/554416103.db2.gz	CABVVJAHBWUQHX-HNNXBMFYSA-N	-1	1	454.548	3.581	50	10		JHCAMM
CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc([O-])c(O)c2)=N[C@@H]1c1ccc(OC)cc1	ZINC000006227868	554520126	/nfs/dbraw/zinc/52/01/26/554520126.db2.gz	AZQWSOIPETVAMG-OAQYLSRUSA-N	-1	1	456.520	3.560	50	10		JHCAMM
CCOc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)ccc1O	ZINC000096220975	569738608	/nfs/dbraw/zinc/73/86/08/569738608.db2.gz	LIZHILMORZLAAM-ZDUSSCGKSA-N	-1	1	492.436	3.828	50	10	biogenic	JHCAMM
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000103790662	569838038	/nfs/dbraw/zinc/83/80/38/569838038.db2.gz	JUAQKMVQBFGDJJ-XNTDXEJSSA-N	-1	1	471.300	3.653	50	10		JHCAMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)C(=O)N1	ZINC000001198539	194068160	/nfs/dbraw/zinc/06/81/60/194068160.db2.gz	UIQKKKVLQQDTHI-UHFFFAOYSA-N	-1	1	451.276	3.931	50	10		JHCAMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(Br)c2)C(=O)N1	ZINC000001198539	194068163	/nfs/dbraw/zinc/06/81/63/194068163.db2.gz	UIQKKKVLQQDTHI-UHFFFAOYSA-N	-1	1	451.276	3.931	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C	ZINC000012285171	520691509	/nfs/dbraw/zinc/69/15/09/520691509.db2.gz	SFGTXSYEKVCIOM-UHFFFAOYSA-N	-1	1	474.966	3.728	50	10		JHCAMM
CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000006492063	554546337	/nfs/dbraw/zinc/54/63/37/554546337.db2.gz	DBZNEGYTCKSHBK-PDGQHHTCSA-N	-1	1	480.860	3.936	50	10		JHCAMM
COc1ccc(-n2c(=O)c3ccccc3nc2SCC(=O)c2ccc([O-])c(O)c2)cc1OC	ZINC000028849234	556342856	/nfs/dbraw/zinc/34/28/56/556342856.db2.gz	IHHRIHKEJNPDLF-UHFFFAOYSA-N	-1	1	464.499	3.789	50	10		JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2	ZINC000096113933	569733058	/nfs/dbraw/zinc/73/30/58/569733058.db2.gz	UTLJGMMEUUYQAS-ZDUSSCGKSA-N	-1	1	460.394	3.747	50	10	biogenic	JHCAMM
COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1O	ZINC000096114262	569733224	/nfs/dbraw/zinc/73/32/24/569733224.db2.gz	LLTQUKCCEHHCEL-CYBMUJFWSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@@H](c3ccc(N(CC)CC)cc3)C2)c(=O)[nH]c1=S	ZINC000101456256	569798254	/nfs/dbraw/zinc/79/82/54/569798254.db2.gz	LYVTUESBDJZCOJ-LJQANCHMSA-N	-1	1	457.600	3.955	50	10		JHCAMM
O=C1[N-]C(=S)SC1=Cc1cc(Cc2ccc(O)c(C=C3SC(=S)NC3=O)c2)ccc1O	ZINC000211039735	569876100	/nfs/dbraw/zinc/87/61/00/569876100.db2.gz	POLIJLORZAYUIL-GONBZBRSSA-N	-1	1	486.621	3.666	50	10		JHCAMM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000009908237	195019447	/nfs/dbraw/zinc/01/94/47/195019447.db2.gz	OJPAXUDQRUUIKJ-LDADJPATSA-N	-1	1	451.891	3.660	50	10		JHCAMM
O=C([O-])c1ccc(COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1	ZINC000001186404	526369016	/nfs/dbraw/zinc/36/90/16/526369016.db2.gz	QFUQSGPPIDPSAE-AQTBWJFISA-N	-1	1	476.485	3.934	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCCOc1ccc(C)cc1C	ZINC000002149686	554068674	/nfs/dbraw/zinc/06/86/74/554068674.db2.gz	UTYCSNKCTOSKIK-UHFFFAOYSA-N	-1	1	474.966	3.728	50	10		JHCAMM
O=C([O-])c1cccc(COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2)c1	ZINC000012363184	555958542	/nfs/dbraw/zinc/95/85/42/555958542.db2.gz	KUPOEJRJGMYSJK-UYRXBGFRSA-N	-1	1	476.485	3.934	50	10		JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2	ZINC000096115167	569734342	/nfs/dbraw/zinc/73/43/42/569734342.db2.gz	YYTPPRPZIOXMJZ-CQSZACIVSA-N	-1	1	483.432	3.859	50	10	biogenic	JHCAMM
COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1	ZINC000096220936	569738583	/nfs/dbraw/zinc/73/85/83/569738583.db2.gz	WALWEDAADXYCNX-AWEZNQCLSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000101346780	569793946	/nfs/dbraw/zinc/79/39/46/569793946.db2.gz	MNPVNADRQNCJAS-BKUYFWCQSA-N	-1	1	480.525	3.752	50	10		JHCAMM
CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1ccc(C(=O)[O-])cc1	ZINC000016267269	520623044	/nfs/dbraw/zinc/62/30/44/520623044.db2.gz	XNMIFKASPNRNPB-UHFFFAOYSA-N	-1	1	489.278	3.715	50	10		JHCAMM
O=C(Oc1cccc(C=C2SC(=S)[N-]C2=O)c1)c1ccccc1I	ZINC000016449425	526444756	/nfs/dbraw/zinc/44/47/56/526444756.db2.gz	GTFSOCNPLYEOCF-ZROIWOOFSA-N	-1	1	467.309	3.999	50	10		JHCAMM
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(C)cc2)c1[O-]	ZINC000000688914	553758380	/nfs/dbraw/zinc/75/83/80/553758380.db2.gz	JUAQKMVQBFGDJJ-GDNBJRDFSA-N	-1	1	471.300	3.653	50	10		JHCAMM
CC[C@@H](C)c1ccccc1OCCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000002977111	554416023	/nfs/dbraw/zinc/41/60/23/554416023.db2.gz	CABVVJAHBWUQHX-OAHLLOKOSA-N	-1	1	454.548	3.581	50	10		JHCAMM
Cc1ccc(OCCOCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000022184973	555882606	/nfs/dbraw/zinc/88/26/06/555882606.db2.gz	RWDFBIDBHUHGOU-CPNJWEJPSA-N	-1	1	460.533	3.866	50	10		JHCAMM
O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1O	ZINC000028248019	556327011	/nfs/dbraw/zinc/32/70/11/556327011.db2.gz	IDMUKWMMPOTXOR-UHFFFAOYSA-N	-1	1	455.311	3.777	50	10		JHCAMM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000095276479	569722277	/nfs/dbraw/zinc/72/22/77/569722277.db2.gz	FOKRFVSDQSWXCD-CPNJWEJPSA-N	-1	1	453.549	3.971	50	10		JHCAMM
O=C([O-])c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000096116227	569735311	/nfs/dbraw/zinc/73/53/11/569735311.db2.gz	COKHQSBELXEBTA-CQSZACIVSA-N	-1	1	460.394	3.716	50	10	biogenic	JHCAMM
COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221027	569738668	/nfs/dbraw/zinc/73/86/68/569738668.db2.gz	IUMKGBMLEODNNZ-INIZCTEOSA-N	-1	1	476.437	3.970	50	10	biogenic	JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1ccc(F)cc1)CC(=O)O2	ZINC000096221682	569739112	/nfs/dbraw/zinc/73/91/12/569739112.db2.gz	GDWIULRWBOUZOM-CYBMUJFWSA-N	-1	1	450.374	3.863	50	10	biogenic	JHCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	ZINC000001199121	194068428	/nfs/dbraw/zinc/06/84/28/194068428.db2.gz	STKJFPPLZHATCE-UHFFFAOYSA-N	-1	1	462.281	3.691	50	10		JHCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	ZINC000001199121	194068432	/nfs/dbraw/zinc/06/84/32/194068432.db2.gz	STKJFPPLZHATCE-UHFFFAOYSA-N	-1	1	462.281	3.691	50	10		JHCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1	ZINC000001199121	194068434	/nfs/dbraw/zinc/06/84/34/194068434.db2.gz	STKJFPPLZHATCE-UHFFFAOYSA-N	-1	1	462.281	3.691	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccccc1Cl	ZINC000001177126	194062268	/nfs/dbraw/zinc/06/22/68/194062268.db2.gz	NFDMGPJDZHYBOZ-UHFFFAOYSA-N	-1	1	451.331	3.885	50	10		JHCAMM
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1	ZINC000002966639	194184545	/nfs/dbraw/zinc/18/45/45/194184545.db2.gz	SUUYBVHAIQGMAN-OQLLNIDSSA-N	-1	1	455.966	3.914	50	10		JHCAMM
CN(C)c1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)cc1	ZINC000023745227	556087206	/nfs/dbraw/zinc/08/72/06/556087206.db2.gz	RDOYUDWGFGKCBH-UHFFFAOYSA-N	-1	1	481.574	3.597	50	10		JHCAMM
COc1ccc(N2CCN(c3nc4ccc(C)cn4c(=O)c3C=C3SC(=S)[N-]C3=O)CC2)cc1	ZINC000027020602	556270780	/nfs/dbraw/zinc/27/07/80/556270780.db2.gz	FABLEEMXRFBWCG-UYRXBGFRSA-N	-1	1	493.614	3.667	50	10		JHCAMM
CCOC(=O)c1ccc(OCc2noc3c2ccc([O-])c3C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cc1	ZINC000094993352	569721466	/nfs/dbraw/zinc/72/14/66/569721466.db2.gz	KTDNFPMWXMQFMA-MRXNPFEDSA-N	-1	1	454.479	3.586	50	10		JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)O2	ZINC000096221264	569738787	/nfs/dbraw/zinc/73/87/87/569738787.db2.gz	DTJASHIVIOOMEP-GFCCVEGCSA-N	-1	1	477.381	3.632	50	10	biogenic	JHCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c(OC)c1	ZINC000096221399	569738869	/nfs/dbraw/zinc/73/88/69/569738869.db2.gz	GQXQZIDRMPJSMT-CQSZACIVSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000100500655	569762748	/nfs/dbraw/zinc/76/27/48/569762748.db2.gz	LDAXIOVWSMNPCE-HMAPJEAMSA-N	-1	1	476.562	3.921	50	10		JHCAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21	ZINC000245236221	570056942	/nfs/dbraw/zinc/05/69/42/570056942.db2.gz	QYJVHFREOZUEMC-KTIHBUSBSA-N	-1	1	495.329	3.601	50	10		JHCAMM
CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc([O-])c(O)c2)=N[C@H]1c1ccc(OC)cc1	ZINC000006227869	194421227	/nfs/dbraw/zinc/42/12/27/194421227.db2.gz	AZQWSOIPETVAMG-NRFANRHFSA-N	-1	1	456.520	3.560	50	10		JHCAMM
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C(=O)NC2=S)cc1	ZINC000009259329	524384052	/nfs/dbraw/zinc/38/40/52/524384052.db2.gz	CQHAYOHZAPNESP-BKUYFWCQSA-N	-1	1	489.553	3.941	50	10		JHCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1	ZINC000002149646	554068684	/nfs/dbraw/zinc/06/86/84/554068684.db2.gz	RGBFNGGMTIQGIF-UHFFFAOYSA-N	-1	1	481.357	3.683	50	10		JHCAMM
CCOC(=O)c1oc2c(ccc([O-])c2C[N@H+]2CCC[C@@H]2C(=O)[O-])c(=O)c1Oc1ccccc1	ZINC000009043030	554869545	/nfs/dbraw/zinc/86/95/45/554869545.db2.gz	ZJWJQZNEDYLNOO-QGZVFWFLSA-N	-1	1	453.447	3.517	50	10	biogenic	JHCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(Br)cc1OCc1cccc2ccccc21	ZINC000009234142	555007595	/nfs/dbraw/zinc/00/75/95/555007595.db2.gz	PSNLREBZRKEOFI-UHFFFAOYSA-N	-1	1	481.302	3.939	50	10		JHCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(Br)cc1OCc1cccc2ccccc21	ZINC000009234142	555007598	/nfs/dbraw/zinc/00/75/98/555007598.db2.gz	PSNLREBZRKEOFI-UHFFFAOYSA-N	-1	1	481.302	3.939	50	10		JHCAMM
O=C([O-])COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000027532534	556292788	/nfs/dbraw/zinc/29/27/88/556292788.db2.gz	NSQXHUMHTBXBGY-OQLLNIDSSA-N	-1	1	461.293	3.584	50	10		JHCAMM
Cc1cccc([N-]S(=O)(=O)c2cccc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)c2)c1	ZINC000018242464	556314310	/nfs/dbraw/zinc/31/43/10/556314310.db2.gz	LXZGOUUCJJSOTB-UHFFFAOYSA-N	-1	1	495.601	3.677	50	10		JHCAMM
CCOC(=O)c1ccc(OCc2noc3c2ccc([O-])c3C[N@H+]2CCC[C@H](C(=O)[O-])C2)cc1	ZINC000094993351	569721538	/nfs/dbraw/zinc/72/15/38/569721538.db2.gz	KTDNFPMWXMQFMA-INIZCTEOSA-N	-1	1	454.479	3.586	50	10		JHCAMM
COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000096220986	569738490	/nfs/dbraw/zinc/73/84/90/569738490.db2.gz	UQUFLXLZNHAOQE-AWEZNQCLSA-N	-1	1	490.420	3.510	50	10	biogenic	JHCAMM
CC1=NN(c2cccc3ccccc32)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-]	ZINC000103790711	569838128	/nfs/dbraw/zinc/83/81/28/569838128.db2.gz	VUDKLCYYRDLMAX-CPNJWEJPSA-N	-1	1	472.888	3.844	50	10		JHCAMM
O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N1	ZINC000113353687	569861363	/nfs/dbraw/zinc/86/13/63/569861363.db2.gz	CSNDFBHAXIRVPD-UHFFFAOYSA-N	-1	1	480.112	3.540	50	10		JHCAMM
O=C1[N-]C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(=O)N1	ZINC000113353687	569861364	/nfs/dbraw/zinc/86/13/64/569861364.db2.gz	CSNDFBHAXIRVPD-UHFFFAOYSA-N	-1	1	480.112	3.540	50	10		JHCAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2[O-])[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21	ZINC000169693137	569871409	/nfs/dbraw/zinc/87/14/09/569871409.db2.gz	QYJVHFREOZUEMC-FIXDAVPBSA-N	-1	1	495.329	3.601	50	10		JHCAMM
CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000016115524	520628521	/nfs/dbraw/zinc/62/85/21/520628521.db2.gz	WZWHHSADKULTIG-GVIGZQTCSA-N	-1	1	458.467	3.748	50	10		JHCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCc1ccc(Br)cc1	ZINC000001174099	522311604	/nfs/dbraw/zinc/31/16/04/522311604.db2.gz	WGLGWBXOGIYLTF-UHFFFAOYSA-N	-1	1	481.755	3.604	50	10		JHCAMM
Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@H]2C(=O)[O-])c(=O)c1-c1ccc2c(c1)OCCCO2	ZINC000002132623	554060943	/nfs/dbraw/zinc/06/09/43/554060943.db2.gz	OLGWJMXQAJFNQU-SFHVURJKSA-N	-1	1	451.475	3.684	50	10		JHCAMM
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4C)o3)C(=O)NC2=S)c(OC)c1	ZINC000002827017	554366720	/nfs/dbraw/zinc/36/67/20/554366720.db2.gz	OSTLCGDMZCFNGY-WOJGMQOQSA-N	-1	1	492.509	3.802	50	10		JHCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCSc1cccc2ccccc21	ZINC000009310287	555085869	/nfs/dbraw/zinc/08/58/69/555085869.db2.gz	NXQXPVLHRBCATF-UHFFFAOYSA-N	-1	1	464.568	3.934	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1	ZINC000013942516	555653568	/nfs/dbraw/zinc/65/35/68/555653568.db2.gz	BAQNJWPLSBOWTA-MRXNPFEDSA-N	-1	1	468.575	3.971	50	10		JHCAMM
O=C1[N-]C(=S)S/C1=C\c1c(=O)n2ccccc2nc1N1CCC(Cc2ccccc2)CC1	ZINC000016713665	556154370	/nfs/dbraw/zinc/15/43/70/556154370.db2.gz	ROMDWOPHLBUDBK-CYVLTUHYSA-N	-1	1	462.600	3.642	50	10		JHCAMM
COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)ccc1O	ZINC000096115037	569734062	/nfs/dbraw/zinc/73/40/62/569734062.db2.gz	YRMLNHXDZAJKMI-ZDUSSCGKSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)O2	ZINC000096220858	569738458	/nfs/dbraw/zinc/73/84/58/569738458.db2.gz	MDZCNRROXNRJBC-ZDUSSCGKSA-N	-1	1	477.381	3.632	50	10	biogenic	JHCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OC	ZINC000096221276	569738896	/nfs/dbraw/zinc/73/88/96/569738896.db2.gz	DCDGWDFLENLRIY-CYBMUJFWSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000100497616	569762488	/nfs/dbraw/zinc/76/24/88/569762488.db2.gz	AJQJSNXIVJBGRM-KGENOOAVSA-N	-1	1	462.535	3.613	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1	ZINC000002945231	194175706	/nfs/dbraw/zinc/17/57/06/194175706.db2.gz	TYYQBQORXHTXGM-UHFFFAOYSA-N	-1	1	468.575	3.755	50	10		JHCAMM
O=c1cc(CSc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c2cc(O)c([O-])cc2o1	ZINC000003298222	194271425	/nfs/dbraw/zinc/27/14/25/194271425.db2.gz	NDPICXNSWSPVRV-ZDUSSCGKSA-N	-1	1	457.533	3.996	50	10		JHCAMM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1	ZINC000009908244	195019536	/nfs/dbraw/zinc/01/95/36/195019536.db2.gz	LGOKCPVJFFWIGN-LDADJPATSA-N	-1	1	496.342	3.769	50	10		JHCAMM
O=C(Oc1ccc(/C=C2/SC(=S)[N-]C2=O)cc1)c1ccccc1I	ZINC000000974518	553888358	/nfs/dbraw/zinc/88/83/58/553888358.db2.gz	HEAKSUIDJIKJMJ-NTEUORMPSA-N	-1	1	467.309	3.999	50	10		JHCAMM
O=C([O-])COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl	ZINC000002594650	554239606	/nfs/dbraw/zinc/23/96/06/554239606.db2.gz	HDYNQLDBCTVPHC-WUXMJOGZSA-N	-1	1	451.287	3.699	50	10		JHCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc2ccccc21	ZINC000008756372	554658606	/nfs/dbraw/zinc/65/86/06/554658606.db2.gz	XXIZWNJLVRDXMX-UHFFFAOYSA-N	-1	1	481.302	3.939	50	10		JHCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1cccc2ccccc21	ZINC000008756372	554658609	/nfs/dbraw/zinc/65/86/09/554658609.db2.gz	XXIZWNJLVRDXMX-UHFFFAOYSA-N	-1	1	481.302	3.939	50	10		JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@H](c1cccc3nccnc31)CC(=O)O2	ZINC000096114298	569733460	/nfs/dbraw/zinc/73/34/60/569733460.db2.gz	HWRADNJSYYEIHC-AWEZNQCLSA-N	-1	1	468.421	3.961	50	10	biogenic	JHCAMM
COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc2c1OCO2	ZINC000096114579	569733665	/nfs/dbraw/zinc/73/36/65/569733665.db2.gz	PCMVQZRTFDXQGU-CYBMUJFWSA-N	-1	1	490.420	3.755	50	10	biogenic	JHCAMM
COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096115856	569734880	/nfs/dbraw/zinc/73/48/80/569734880.db2.gz	CLAFEYSEICVBNZ-MRXNPFEDSA-N	-1	1	488.448	3.864	50	10	biogenic	JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1ccccc1F)CC(=O)O2	ZINC000096221011	569738535	/nfs/dbraw/zinc/73/85/35/569738535.db2.gz	ITVWHTDUBAHWBW-GFCCVEGCSA-N	-1	1	450.374	3.863	50	10	biogenic	JHCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c(OC)c1	ZINC000096221397	569738809	/nfs/dbraw/zinc/73/88/09/569738809.db2.gz	GQXQZIDRMPJSMT-AWEZNQCLSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1	ZINC000100499093	569762648	/nfs/dbraw/zinc/76/26/48/569762648.db2.gz	YRHFRYOGGFXTKK-STZFKDTASA-N	-1	1	492.561	3.621	50	10		JHCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)cc1	ZINC000100499093	569762650	/nfs/dbraw/zinc/76/26/50/569762650.db2.gz	YRHFRYOGGFXTKK-STZFKDTASA-N	-1	1	492.561	3.621	50	10		JHCAMM
O=C(Oc1ccc(Br)cc1/C=C1\C(=O)[N-]C(=O)NC1=O)c1cccc2ccccc21	ZINC000001193924	194066456	/nfs/dbraw/zinc/06/64/56/194066456.db2.gz	NSISZSAYCOCLQF-UHFFFAOYSA-N	-1	1	465.259	3.571	50	10		JHCAMM
O=C(Oc1ccc(Br)cc1/C=C1/C(=O)[N-]C(=O)NC1=O)c1cccc2ccccc21	ZINC000001193924	194066458	/nfs/dbraw/zinc/06/64/58/194066458.db2.gz	NSISZSAYCOCLQF-UHFFFAOYSA-N	-1	1	465.259	3.571	50	10		JHCAMM
COc1ccc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)CC2)cc1	ZINC000004001749	194368440	/nfs/dbraw/zinc/36/84/40/194368440.db2.gz	ZZXYDUGSSGIMAF-UHFFFAOYSA-N	-1	1	469.538	3.598	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000002916726	520690828	/nfs/dbraw/zinc/69/08/28/520690828.db2.gz	YBDKAJWWYLFOBF-UHFFFAOYSA-N	-1	1	495.782	3.995	50	10		JHCAMM
COc1cncnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1	ZINC000101114202	569783361	/nfs/dbraw/zinc/78/33/61/569783361.db2.gz	HOKSVGXPQSTNNY-YBFXNURJSA-N	-1	1	498.952	3.658	50	10		JHCAMM
COc1cncnc1[N-]S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)cc1	ZINC000101114202	569783362	/nfs/dbraw/zinc/78/33/62/569783362.db2.gz	HOKSVGXPQSTNNY-YBFXNURJSA-N	-1	1	498.952	3.658	50	10		JHCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000016264985	526086737	/nfs/dbraw/zinc/08/67/37/526086737.db2.gz	OQOMSWPBPNVJNG-GZTJUZNOSA-N	-1	1	453.524	3.699	50	10		JHCAMM
O=C1C(=Cc2ccc(I)o2)SC(=S)N1N=C([O-])NC1CCCCC1	ZINC000033554844	527513829	/nfs/dbraw/zinc/51/38/29/527513829.db2.gz	DPXHHCHQLSFCGM-FLIBITNWSA-N	-1	1	477.349	3.632	50	10		JHCAMM
O=C([N-]N1C(=O)C(=Cc2ccc(I)o2)SC1=S)NC1CCCCC1	ZINC000033554844	527513834	/nfs/dbraw/zinc/51/38/34/527513834.db2.gz	DPXHHCHQLSFCGM-FLIBITNWSA-N	-1	1	477.349	3.632	50	10		JHCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1	ZINC000002829885	554367691	/nfs/dbraw/zinc/36/76/91/554367691.db2.gz	QTRMLGMMAFALPM-UHFFFAOYSA-N	-1	1	458.898	3.563	50	10		JHCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(C)c(C)c1	ZINC000002829885	554367696	/nfs/dbraw/zinc/36/76/96/554367696.db2.gz	QTRMLGMMAFALPM-UHFFFAOYSA-N	-1	1	458.898	3.563	50	10		JHCAMM
Cc1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)cc1[N+](=O)[O-]	ZINC000008859983	554756614	/nfs/dbraw/zinc/75/66/14/554756614.db2.gz	CIACXZYBFFOPCZ-UHFFFAOYSA-N	-1	1	457.493	3.832	50	10		JHCAMM
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C(=O)[O-])cc2)C(=O)NC1=S	ZINC000009264478	555039656	/nfs/dbraw/zinc/03/96/56/555039656.db2.gz	UXTXMLWBDGDEKF-SFQUDFHCSA-N	-1	1	465.918	3.969	50	10		JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2	ZINC000096113934	569733104	/nfs/dbraw/zinc/73/31/04/569733104.db2.gz	UTLJGMMEUUYQAS-CYBMUJFWSA-N	-1	1	460.394	3.747	50	10	biogenic	JHCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000096222712	569739677	/nfs/dbraw/zinc/73/96/77/569739677.db2.gz	HLXMXCUBPFOGMH-AWEZNQCLSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O	ZINC000253406686	570097282	/nfs/dbraw/zinc/09/72/82/570097282.db2.gz	JCOSQIULFFUMOI-MRXNPFEDSA-N	-1	1	473.909	3.570	50	10	biogenic	JHCAMM
CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)[N-]C(=S)NC3=O)c1C)CCCC2	ZINC000001410545	194116805	/nfs/dbraw/zinc/11/68/05/194116805.db2.gz	CIDRMTABINCFNT-UHFFFAOYSA-N	-1	1	457.577	3.966	50	10		JHCAMM
CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)[N-]C(=S)NC3=O)c1C)CCCC2	ZINC000001410545	194116808	/nfs/dbraw/zinc/11/68/08/194116808.db2.gz	CIDRMTABINCFNT-UHFFFAOYSA-N	-1	1	457.577	3.966	50	10		JHCAMM
CCOC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)[N-]C(=S)NC3=O)c1C)CCCC2	ZINC000001410545	194116810	/nfs/dbraw/zinc/11/68/10/194116810.db2.gz	CIDRMTABINCFNT-UHFFFAOYSA-N	-1	1	457.577	3.966	50	10		JHCAMM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)NC2=S)cc1	ZINC000002877860	554399980	/nfs/dbraw/zinc/39/99/80/554399980.db2.gz	GIACQRBDTVFRBU-CPNJWEJPSA-N	-1	1	462.483	3.875	50	10		JHCAMM
O=C1[N-]C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N1	ZINC000009310317	555086088	/nfs/dbraw/zinc/08/60/88/555086088.db2.gz	JYVOWESAIPYASN-UHFFFAOYSA-N	-1	1	498.102	3.679	50	10		JHCAMM
O=C1[N-]C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3F)c(Br)c2)C(=O)N1	ZINC000009310317	555086091	/nfs/dbraw/zinc/08/60/91/555086091.db2.gz	JYVOWESAIPYASN-UHFFFAOYSA-N	-1	1	498.102	3.679	50	10		JHCAMM
Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3\SC(=S)[N-]C3=O)c(=O)n2c1	ZINC000013617286	555536957	/nfs/dbraw/zinc/53/69/57/555536957.db2.gz	LPVNBBPTSWZPIB-ZHZULCJRSA-N	-1	1	476.627	3.951	50	10		JHCAMM
COc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1O	ZINC000014010744	555670366	/nfs/dbraw/zinc/67/03/66/555670366.db2.gz	YSJGKBUGAOZUGL-NTUHNPAUSA-N	-1	1	462.212	3.578	50	10		JHCAMM
COC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3C[N@H+]3CCC[C@@H](C(=O)[O-])C3)c2=O)cc1	ZINC000094993359	569721407	/nfs/dbraw/zinc/72/14/07/569721407.db2.gz	YTZUOLNTWPMTNW-MRXNPFEDSA-N	-1	1	467.474	3.683	50	10		JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)O2	ZINC000096220860	569738355	/nfs/dbraw/zinc/73/83/55/569738355.db2.gz	MDZCNRROXNRJBC-CYBMUJFWSA-N	-1	1	477.381	3.632	50	10	biogenic	JHCAMM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(C(=O)N2CCOCC2)cc1	ZINC000101125464	569783711	/nfs/dbraw/zinc/78/37/11/569783711.db2.gz	TVVGSPWJMKWFCY-XSFVSMFZSA-N	-1	1	469.339	3.640	50	10		JHCAMM
COc1cc2c(cc1OC)[C@H](c1ccccc1O)[N@@H+]([C@H]1CC(=O)N(c3ccccc3)C1=O)CC2	ZINC000137843189	569865283	/nfs/dbraw/zinc/86/52/83/569865283.db2.gz	NAMUXVGCWMQULM-LVXARBLLSA-N	-1	1	458.514	3.689	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(Br)c1OCc1ccccc1F	ZINC000000658870	193881277	/nfs/dbraw/zinc/88/12/77/193881277.db2.gz	CYBKLMMDRSSTKE-RIYZIHGNSA-N	-1	1	493.354	3.822	50	10		JHCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1Cl	ZINC000001197337	194067687	/nfs/dbraw/zinc/06/76/87/194067687.db2.gz	TWDKVSRYXFNCAB-UHFFFAOYSA-N	-1	1	479.714	3.830	50	10		JHCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccccc1Cl	ZINC000001197337	194067690	/nfs/dbraw/zinc/06/76/90/194067690.db2.gz	TWDKVSRYXFNCAB-UHFFFAOYSA-N	-1	1	479.714	3.830	50	10		JHCAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]21	ZINC000015276077	555891652	/nfs/dbraw/zinc/89/16/52/555891652.db2.gz	QYJVHFREOZUEMC-SMOZNVCYSA-N	-1	1	495.329	3.601	50	10		JHCAMM
CCOc1cccc(N2C(=O)C(=Cc3ccc(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)c1	ZINC000017181029	556235240	/nfs/dbraw/zinc/23/52/40/556235240.db2.gz	TXTNHXMZWIPLMI-NVNXTCNLSA-N	-1	1	460.895	3.874	50	10		JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1ccccc1F)CC(=O)O2	ZINC000096221010	569738620	/nfs/dbraw/zinc/73/86/20/569738620.db2.gz	ITVWHTDUBAHWBW-LBPRGKRZSA-N	-1	1	450.374	3.863	50	10	biogenic	JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1ccc(F)cc1)CC(=O)O2	ZINC000096221680	569739148	/nfs/dbraw/zinc/73/91/48/569739148.db2.gz	GDWIULRWBOUZOM-ZDUSSCGKSA-N	-1	1	450.374	3.863	50	10	biogenic	JHCAMM
C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)[O-]	ZINC000002981784	194194020	/nfs/dbraw/zinc/19/40/20/194194020.db2.gz	TXZVJSOGFGMSTM-YWEFTTLKSA-N	-1	1	465.314	3.677	50	10		JHCAMM
Cc1cc(C)cc(OCCN(C)C(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)c1	ZINC000012751839	195106251	/nfs/dbraw/zinc/10/62/51/195106251.db2.gz	UXSDGOCYQMIKCO-UHFFFAOYSA-N	-1	1	499.545	3.869	50	10		JHCAMM
CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C(F)(F)F)cc([N+](=O)[O-])c1O	ZINC000016183720	520628195	/nfs/dbraw/zinc/62/81/95/520628195.db2.gz	PNTDAEFCTDCFLP-QPEQYQDCSA-N	-1	1	465.340	3.746	50	10		JHCAMM
O=C([O-])c1cccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Br)cc4)C3=O)o2)c1	ZINC000012428659	526385853	/nfs/dbraw/zinc/38/58/53/526385853.db2.gz	PDUGQOOAQRDTFD-BOPFTXTBSA-N	-1	1	453.248	3.869	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000002775865	554339165	/nfs/dbraw/zinc/33/91/65/554339165.db2.gz	ZEWYNYDBDGYMLO-UHFFFAOYSA-N	-1	1	451.331	3.885	50	10		JHCAMM
CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)NC2=S)c1	ZINC000006573634	554551691	/nfs/dbraw/zinc/55/16/91/554551691.db2.gz	BDZJNTCMVXBJJX-UYRXBGFRSA-N	-1	1	462.483	3.875	50	10		JHCAMM
CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)[N-]C1=S	ZINC000009339667	555108174	/nfs/dbraw/zinc/10/81/74/555108174.db2.gz	BMZWLQXGACPUDZ-MNAFEPAFSA-N	-1	1	481.574	3.658	50	10		JHCAMM
CCCc1c(C)c2ccc([O-])c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2oc1=O	ZINC000022938176	555991335	/nfs/dbraw/zinc/99/13/35/555991335.db2.gz	IZGUWHYWAZOIPS-UHFFFAOYSA-N	-1	1	450.535	3.806	50	10		JHCAMM
CC1=NN(c2cccc3ccccc32)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-]	ZINC000017136189	556223805	/nfs/dbraw/zinc/22/38/05/556223805.db2.gz	VUDKLCYYRDLMAX-UYRXBGFRSA-N	-1	1	472.888	3.844	50	10		JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2	ZINC000096115166	569734289	/nfs/dbraw/zinc/73/42/89/569734289.db2.gz	YYTPPRPZIOXMJZ-AWEZNQCLSA-N	-1	1	483.432	3.859	50	10	biogenic	JHCAMM
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000101124700	569783685	/nfs/dbraw/zinc/78/36/85/569783685.db2.gz	IQDVRQRXWTZUGJ-LDADJPATSA-N	-1	1	457.512	3.802	50	10		JHCAMM
O=C1CCc2cc(S(=O)(=O)Nc3cc(Sc4nc[nH]n4)c([O-])c4ccccc34)ccc2N1	ZINC000038488521	569802260	/nfs/dbraw/zinc/80/22/60/569802260.db2.gz	XQLLQEOERZKIAJ-UHFFFAOYSA-N	-1	1	467.532	3.500	50	10		JHCAMM
C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1)C(=O)[O-]	ZINC000002981786	194193989	/nfs/dbraw/zinc/19/39/89/194193989.db2.gz	TXZVJSOGFGMSTM-QQMDNXKGSA-N	-1	1	465.314	3.677	50	10		JHCAMM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)o1	ZINC000003463027	194330800	/nfs/dbraw/zinc/33/08/00/194330800.db2.gz	VLHPEUNBQPFLRF-WOJGMQOQSA-N	-1	1	450.447	3.924	50	10		JHCAMM
Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1	ZINC000009934521	195027280	/nfs/dbraw/zinc/02/72/80/195027280.db2.gz	MQWKFSJIFRGAPT-AWNIVKPZSA-N	-1	1	465.314	3.597	50	10		JHCAMM
O=C([O-])c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1	ZINC000012469692	526358895	/nfs/dbraw/zinc/35/88/95/526358895.db2.gz	ATHKJFKGNNGDIQ-FOWTUZBSSA-N	-1	1	451.891	3.660	50	10		JHCAMM
COCCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)[N-]C1=S	ZINC000006288644	554527387	/nfs/dbraw/zinc/52/73/87/554527387.db2.gz	GQDINBULKNWSMK-LFIBNONCSA-N	-1	1	471.941	3.755	50	10		JHCAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)c(Cl)c2)c(Br)c1	ZINC000012942704	556155565	/nfs/dbraw/zinc/15/55/65/556155565.db2.gz	RAUYFIBETHOTBT-UHFFFAOYSA-N	-1	1	453.767	3.583	50	10		JHCAMM
COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)ccc1OCC(=O)[O-]	ZINC000085878993	569716281	/nfs/dbraw/zinc/71/62/81/569716281.db2.gz	UPHZXQRAYWSQGS-UHFFFAOYSA-N	-1	1	479.445	3.755	50	10	biogenic	JHCAMM
COC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3C[N@H+]3CCC[C@H](C(=O)[O-])C3)c2=O)cc1	ZINC000094993358	569721497	/nfs/dbraw/zinc/72/14/97/569721497.db2.gz	YTZUOLNTWPMTNW-INIZCTEOSA-N	-1	1	467.474	3.683	50	10		JHCAMM
CCOc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)ccc1O	ZINC000096220977	569738501	/nfs/dbraw/zinc/73/85/01/569738501.db2.gz	LIZHILMORZLAAM-CYBMUJFWSA-N	-1	1	492.436	3.828	50	10	biogenic	JHCAMM
CC(C)n1nccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000096221586	569738990	/nfs/dbraw/zinc/73/89/90/569738990.db2.gz	NXVYZUMNFNZRBN-LBPRGKRZSA-N	-1	1	464.430	3.501	50	10	biogenic	JHCAMM
Cn1c(Cc2ccccc2)nnc1SCC(=O)NCc1cc(C(=O)c2ccccc2)ccc1[O-]	ZINC000001160038	194054247	/nfs/dbraw/zinc/05/42/47/194054247.db2.gz	IVCBZDGVGDVDKB-UHFFFAOYSA-N	-1	1	472.570	3.751	50	10		JHCAMM
CC[C@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OC)cc1	ZINC000002948072	194176578	/nfs/dbraw/zinc/17/65/78/194176578.db2.gz	VNCUKAFITBCFPM-HNNXBMFYSA-N	-1	1	454.548	3.581	50	10		JHCAMM
O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)c1ccc([O-])c(O)c1	ZINC000002628213	554251239	/nfs/dbraw/zinc/25/12/39/554251239.db2.gz	NDZWKVWFASRGGI-UHFFFAOYSA-N	-1	1	462.531	3.646	50	10		JHCAMM
O=C1C(=Cc2ccc(I)o2)SC(=S)N1N=C([O-])NC1CCCCC1	ZINC000009234579	555008183	/nfs/dbraw/zinc/00/81/83/555008183.db2.gz	DPXHHCHQLSFCGM-DHZHZOJOSA-N	-1	1	477.349	3.632	50	10		JHCAMM
O=C([N-]N1C(=O)C(=Cc2ccc(I)o2)SC1=S)NC1CCCCC1	ZINC000009234579	555008187	/nfs/dbraw/zinc/00/81/87/555008187.db2.gz	DPXHHCHQLSFCGM-DHZHZOJOSA-N	-1	1	477.349	3.632	50	10		JHCAMM
CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000013897525	555644466	/nfs/dbraw/zinc/64/44/66/555644466.db2.gz	UZLHAYBLQNCKKG-FMNVXAMXSA-N	-1	1	454.504	3.917	50	10		JHCAMM
COc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc(I)c1OCc1ccccc1	ZINC000017196971	556238441	/nfs/dbraw/zinc/23/84/41/556238441.db2.gz	OWKYRXOYKBLQEZ-UHFFFAOYSA-N	-1	1	494.310	3.633	50	10		JHCAMM
COc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc(I)c1OCc1ccccc1	ZINC000017196971	556238444	/nfs/dbraw/zinc/23/84/44/556238444.db2.gz	OWKYRXOYKBLQEZ-UHFFFAOYSA-N	-1	1	494.310	3.633	50	10		JHCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCc1ccccc1	ZINC000017196971	556238445	/nfs/dbraw/zinc/23/84/45/556238445.db2.gz	OWKYRXOYKBLQEZ-UHFFFAOYSA-N	-1	1	494.310	3.633	50	10		JHCAMM
COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc2c1OCO2	ZINC000096114578	569733700	/nfs/dbraw/zinc/73/37/00/569733700.db2.gz	PCMVQZRTFDXQGU-ZDUSSCGKSA-N	-1	1	490.420	3.755	50	10	biogenic	JHCAMM
Cc1oc2c(ccc([O-])c2C[N@H+]2CCC[C@@H]2C(=O)[O-])c(=O)c1-c1ccc2c(c1)OCCCO2	ZINC000012657374	195078389	/nfs/dbraw/zinc/07/83/89/195078389.db2.gz	OLGWJMXQAJFNQU-GOSISDBHSA-N	-1	1	451.475	3.684	50	10	biogenic	JHCAMM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000008739125	521945735	/nfs/dbraw/zinc/94/57/35/521945735.db2.gz	BPJGKTITDIKVDQ-WUXMJOGZSA-N	-1	1	462.212	3.578	50	10		JHCAMM
COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000022536194	521947338	/nfs/dbraw/zinc/94/73/38/521947338.db2.gz	ZSYIUWBELHDKHF-LICLKQGHSA-N	-1	1	454.504	3.954	50	10		JHCAMM
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C(=O)NC1=S	ZINC000002264115	554123812	/nfs/dbraw/zinc/12/38/12/554123812.db2.gz	OBMXAQGZCSXHJL-OQLLNIDSSA-N	-1	1	453.907	3.519	50	10		JHCAMM
COc1ccc(N2CCN(C(=O)c3ccc(C)c(S(=O)(=O)[N-]c4ccccc4)c3)CC2)cc1	ZINC000014154863	555712465	/nfs/dbraw/zinc/71/24/65/555712465.db2.gz	ZELKZLORQVKRMF-UHFFFAOYSA-N	-1	1	465.575	3.767	50	10		JHCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)cc1	ZINC000095471466	569723560	/nfs/dbraw/zinc/72/35/60/569723560.db2.gz	CPBYLMDGISPMTG-UYRXBGFRSA-N	-1	1	498.952	3.658	50	10		JHCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3cccc(Cl)c3)c2=O)cc1	ZINC000095471466	569723561	/nfs/dbraw/zinc/72/35/61/569723561.db2.gz	CPBYLMDGISPMTG-UYRXBGFRSA-N	-1	1	498.952	3.658	50	10		JHCAMM
COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1OC	ZINC000096221050	569738634	/nfs/dbraw/zinc/73/86/34/569738634.db2.gz	OYGBCIRIGJZDBY-ZDUSSCGKSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
COC(=O)c1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000096220988	569738684	/nfs/dbraw/zinc/73/86/84/569738684.db2.gz	UQUFLXLZNHAOQE-CQSZACIVSA-N	-1	1	490.420	3.510	50	10	biogenic	JHCAMM
COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1	ZINC000002977813	194191949	/nfs/dbraw/zinc/19/19/49/194191949.db2.gz	UNVNHXLWMWKGPS-UHFFFAOYSA-N	-1	1	465.289	3.518	50	10		JHCAMM
COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1	ZINC000002977813	194191951	/nfs/dbraw/zinc/19/19/51/194191951.db2.gz	UNVNHXLWMWKGPS-UHFFFAOYSA-N	-1	1	465.289	3.518	50	10		JHCAMM
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C(=O)NC1=S	ZINC000000665794	553741929	/nfs/dbraw/zinc/74/19/29/553741929.db2.gz	KKHGOGSOYPFGHS-SFQUDFHCSA-N	-1	1	462.483	3.793	50	10		JHCAMM
COc1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c([O-])c3ccccc23)cc1[N+](=O)[O-]	ZINC000008859981	554756542	/nfs/dbraw/zinc/75/65/42/554756542.db2.gz	JMYRQEWPQCOXCV-UHFFFAOYSA-N	-1	1	473.492	3.532	50	10		JHCAMM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000013575793	555514652	/nfs/dbraw/zinc/51/46/52/555514652.db2.gz	LDAXIOVWSMNPCE-HYARGMPZSA-N	-1	1	476.562	3.921	50	10		JHCAMM
CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)[N-]C1=S	ZINC000013775078	555615860	/nfs/dbraw/zinc/61/58/60/555615860.db2.gz	BMZWLQXGACPUDZ-PJMHOZITSA-N	-1	1	481.574	3.658	50	10		JHCAMM
O=C(Oc1ccc(/C=C2\SC(=S)[N-]C2=O)cc1)c1ccccc1I	ZINC000022064615	555868739	/nfs/dbraw/zinc/86/87/39/555868739.db2.gz	HEAKSUIDJIKJMJ-ZROIWOOFSA-N	-1	1	467.309	3.999	50	10		JHCAMM
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-]	ZINC000015930212	556070019	/nfs/dbraw/zinc/07/00/19/556070019.db2.gz	TVQQODJUJOYLTB-ZROIWOOFSA-N	-1	1	491.718	3.998	50	10		JHCAMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCC(=O)N1CCCc2ccccc21	ZINC000096191240	569737166	/nfs/dbraw/zinc/73/71/66/569737166.db2.gz	LPFGYKQAISKTTN-DEDYPNTBSA-N	-1	1	454.573	3.932	50	10		JHCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OC	ZINC000096221275	569738763	/nfs/dbraw/zinc/73/87/63/569738763.db2.gz	DCDGWDFLENLRIY-ZDUSSCGKSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2	ZINC000096221316	569738771	/nfs/dbraw/zinc/73/87/71/569738771.db2.gz	DSBXKGFFIZMKHT-ZDUSSCGKSA-N	-1	1	499.431	3.565	50	10	biogenic	JHCAMM
COCCN1C(=O)/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000098086708	569750509	/nfs/dbraw/zinc/75/05/09/569750509.db2.gz	JZCHEQMTPZIBOC-JWGURIENSA-N	-1	1	477.586	3.692	50	10		JHCAMM
O=C([O-])c1cccc(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)cc2)c1	ZINC000002966888	194184400	/nfs/dbraw/zinc/18/44/00/194184400.db2.gz	KUPOEJRJGMYSJK-CPNJWEJPSA-N	-1	1	476.485	3.934	50	10		JHCAMM
CCOC(=O)c1oc2c(ccc([O-])c2C[N@H+]2CCC[C@H]2C(=O)[O-])c(=O)c1Oc1ccccc1	ZINC000002097562	554041075	/nfs/dbraw/zinc/04/10/75/554041075.db2.gz	ZJWJQZNEDYLNOO-KRWDZBQOSA-N	-1	1	453.447	3.517	50	10		JHCAMM
O=C([O-])Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21	ZINC000002825596	554365949	/nfs/dbraw/zinc/36/59/49/554365949.db2.gz	VUUAWNGVAMGNSY-VGOFMYFVSA-N	-1	1	474.325	3.864	50	10		JHCAMM
CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1	ZINC000008993778	554854058	/nfs/dbraw/zinc/85/40/58/554854058.db2.gz	PWFOEBYNANSLCA-VGOFMYFVSA-N	-1	1	495.340	3.687	50	10		JHCAMM
Cc1cccn2c(=O)c(C=C3SC(=S)[N-]C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12	ZINC000015229560	555888988	/nfs/dbraw/zinc/88/89/88/555888988.db2.gz	QLKJJFXQWAXTKV-HKWRFOASSA-N	-1	1	476.627	3.951	50	10		JHCAMM
CCOC(=O)c1c(C)sc(-c2c(-c3cc4ccccc4o3)nc3n(C)c(=O)[nH]c([O-])c2-3)c1O	ZINC000086076804	569717789	/nfs/dbraw/zinc/71/77/89/569717789.db2.gz	SGAGZZFBJWBNMG-UHFFFAOYSA-N	-1	1	465.487	3.887	50	10		JHCAMM
COc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)[N-]c4ccc(C)cc4)cc3)CC2)cc1	ZINC000089635144	569719248	/nfs/dbraw/zinc/71/92/48/569719248.db2.gz	ZUKAIADSBSKQMS-UHFFFAOYSA-N	-1	1	465.575	3.767	50	10		JHCAMM
COc1cc(OC)cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1	ZINC000096221443	569738758	/nfs/dbraw/zinc/73/87/58/569738758.db2.gz	HRBDIDBBODMHEW-HNNXBMFYSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
COc1cc(-c2nnc(SCc3cc(=O)oc4cc([O-])c(O)cc34)o2)cc(OC)c1OC	ZINC000003367456	194303901	/nfs/dbraw/zinc/30/39/01/194303901.db2.gz	QXJLEZHDRYBRPB-UHFFFAOYSA-N	-1	1	458.448	3.572	50	10		JHCAMM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)NC2=S)c1	ZINC000012412351	521381864	/nfs/dbraw/zinc/38/18/64/521381864.db2.gz	QHVKBXQRVGAICY-CPNJWEJPSA-N	-1	1	462.483	3.875	50	10		JHCAMM
CCc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1	ZINC000002909023	523962357	/nfs/dbraw/zinc/96/23/57/523962357.db2.gz	AWTPJVBCANENNU-VGOFMYFVSA-N	-1	1	479.341	3.851	50	10		JHCAMM
CCOc1c(C=C2C(=O)[N-]C(=S)NC2=O)cccc1OCc1ccc(Cl)cc1Cl	ZINC000000829404	553789735	/nfs/dbraw/zinc/78/97/35/553789735.db2.gz	BQUZXEQCEYKVBO-UHFFFAOYSA-N	-1	1	451.331	3.885	50	10		JHCAMM
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc(C(=O)[O-])ccc4C)o3)C(=O)NC2=S)c(OC)c1	ZINC000002116506	554053350	/nfs/dbraw/zinc/05/33/50/554053350.db2.gz	ANLUMMYYORVGLU-WOJGMQOQSA-N	-1	1	492.509	3.802	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1	ZINC000013942514	555653583	/nfs/dbraw/zinc/65/35/83/555653583.db2.gz	BAQNJWPLSBOWTA-INIZCTEOSA-N	-1	1	468.575	3.971	50	10		JHCAMM
COC(=O)Cc1cc(=O)[n-]c(SCC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1	ZINC000012550525	556031655	/nfs/dbraw/zinc/03/16/55/556031655.db2.gz	NIULFJGBXMKIJS-UHFFFAOYSA-N	-1	1	453.564	3.991	50	10		JHCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000059485111	569605242	/nfs/dbraw/zinc/60/52/42/569605242.db2.gz	ADKALWBHUOQZNL-UHFFFAOYSA-N	-1	1	481.755	3.604	50	10		JHCAMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCc1ccccc1Cl	ZINC000059485157	569605344	/nfs/dbraw/zinc/60/53/44/569605344.db2.gz	HYAOONZKBKYRFX-UHFFFAOYSA-N	-1	1	481.755	3.604	50	10		JHCAMM
COc1cc(OC)cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1	ZINC000096221444	569738777	/nfs/dbraw/zinc/73/87/77/569738777.db2.gz	HRBDIDBBODMHEW-OAHLLOKOSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
Cc1c(Cl)cccc1N1C(=O)/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)NC1=S	ZINC000101517900	569801309	/nfs/dbraw/zinc/80/13/09/569801309.db2.gz	FSVXGZZSDNORQO-ATVHPVEESA-N	-1	1	465.918	3.969	50	10		JHCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1	ZINC000103989398	569839705	/nfs/dbraw/zinc/83/97/05/569839705.db2.gz	YRHFRYOGGFXTKK-KGENOOAVSA-N	-1	1	492.561	3.621	50	10		JHCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)cc1	ZINC000103989398	569839706	/nfs/dbraw/zinc/83/97/06/569839706.db2.gz	YRHFRYOGGFXTKK-KGENOOAVSA-N	-1	1	492.561	3.621	50	10		JHCAMM
CC[C@@H](C)c1ccc(OCCOc2ccc(C=C3C(=O)[N-]C(=S)NC3=O)cc2OC)cc1	ZINC000002948069	194176616	/nfs/dbraw/zinc/17/66/16/194176616.db2.gz	VNCUKAFITBCFPM-OAHLLOKOSA-N	-1	1	454.548	3.581	50	10		JHCAMM
CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000016115526	520628724	/nfs/dbraw/zinc/62/87/24/520628724.db2.gz	WZWHHSADKULTIG-XTCQQWIJSA-N	-1	1	458.467	3.748	50	10		JHCAMM
Cc1c(Br)c([O-])c(Br)cc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000006142935	525523913	/nfs/dbraw/zinc/52/39/13/525523913.db2.gz	XWNBFHRMGNVSMS-UHFFFAOYSA-N	-1	1	466.107	3.935	50	10		JHCAMM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4C(=O)[O-])o3)C(=O)NC2=S)c1	ZINC000002930230	554411384	/nfs/dbraw/zinc/41/13/84/554411384.db2.gz	BDZJNTCMVXBJJX-CPNJWEJPSA-N	-1	1	462.483	3.875	50	10		JHCAMM
COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Br)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000006288647	554527452	/nfs/dbraw/zinc/52/74/52/554527452.db2.gz	UAQCRKPVDXXASB-XDHOZWIPSA-N	-1	1	498.402	3.725	50	10		JHCAMM
COC(=O)c1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000008496711	554600832	/nfs/dbraw/zinc/60/08/32/554600832.db2.gz	KOWFRUBMSHYORP-BOPFTXTBSA-N	-1	1	466.833	3.546	50	10		JHCAMM
CCOc1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=O)NC2=S)c1	ZINC000009066441	554885784	/nfs/dbraw/zinc/88/57/84/554885784.db2.gz	QHVKBXQRVGAICY-UYRXBGFRSA-N	-1	1	462.483	3.875	50	10		JHCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000096222714	569739708	/nfs/dbraw/zinc/73/97/08/569739708.db2.gz	HLXMXCUBPFOGMH-CQSZACIVSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000001172474	194061067	/nfs/dbraw/zinc/06/10/67/194061067.db2.gz	UVVNCMYNVQEYPI-UHFFFAOYSA-N	-1	1	462.281	3.691	50	10		JHCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000001172474	194061071	/nfs/dbraw/zinc/06/10/71/194061071.db2.gz	UVVNCMYNVQEYPI-UHFFFAOYSA-N	-1	1	462.281	3.691	50	10		JHCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000001172474	194061072	/nfs/dbraw/zinc/06/10/72/194061072.db2.gz	UVVNCMYNVQEYPI-UHFFFAOYSA-N	-1	1	462.281	3.691	50	10		JHCAMM
CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000016362857	520897036	/nfs/dbraw/zinc/89/70/36/520897036.db2.gz	OGJNPHQIUCRGAG-QGOAFFKASA-N	-1	1	453.549	3.971	50	10		JHCAMM
CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000013897529	555644574	/nfs/dbraw/zinc/64/45/74/555644574.db2.gz	UZLHAYBLQNCKKG-RQNDZEIBSA-N	-1	1	454.504	3.917	50	10		JHCAMM
CCN1C(=O)C(=Cc2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)[N-]C1=S	ZINC000017028492	556207446	/nfs/dbraw/zinc/20/74/46/556207446.db2.gz	WVJVAFJSEDVTND-XDHOZWIPSA-N	-1	1	453.520	3.720	50	10		JHCAMM
COc1ccc(S(=O)(=O)N2CCN(Cc3cc(Cl)c4ccccc4c3[O-])CC2)cc1OC	ZINC000025664902	556229151	/nfs/dbraw/zinc/22/91/51/556229151.db2.gz	YAKITGYPPFWVQO-UHFFFAOYSA-N	-1	1	476.982	3.723	50	10		JHCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc1O	ZINC000096115810	569734889	/nfs/dbraw/zinc/73/48/89/569734889.db2.gz	UNZNEYCPXFEEGD-ZDUSSCGKSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(c4ccc(C)cc4)N=C3C)cc2)s1	ZINC000100500358	569762705	/nfs/dbraw/zinc/76/27/05/569762705.db2.gz	HMJJIRDDIXEIIN-UYRXBGFRSA-N	-1	1	482.591	3.928	50	10		JHCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1	ZINC000100502164	569762908	/nfs/dbraw/zinc/76/29/08/569762908.db2.gz	FHSHGNKINYMHBC-UYRXBGFRSA-N	-1	1	498.952	3.658	50	10		JHCAMM
COc1nccnc1[N-]S(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)cc1	ZINC000100502164	569762909	/nfs/dbraw/zinc/76/29/09/569762909.db2.gz	FHSHGNKINYMHBC-UYRXBGFRSA-N	-1	1	498.952	3.658	50	10		JHCAMM
COc1cc2c(cc1OC)[C@@H](c1ccccc1O)[N@@H+]([C@H]1CC(=O)N(c3ccccc3)C1=O)CC2	ZINC000253917790	570105429	/nfs/dbraw/zinc/10/54/29/570105429.db2.gz	NAMUXVGCWMQULM-HFZDXXHNSA-N	-1	1	458.514	3.689	50	10		JHCAMM
CCOc1ccc(S(=O)(=O)[N-]c2ccc3c4c(cc(=O)n3C)-c3ccccc3C(=O)c24)cc1	ZINC000003635738	194345433	/nfs/dbraw/zinc/34/54/33/194345433.db2.gz	UTXMGQIQDNUKIO-UHFFFAOYSA-N	-1	1	460.511	3.949	50	10		JHCAMM
COc1ccc(N2C(=O)C(=Cc3cccn3-c3cccc(C(=O)[O-])c3)C(=O)NC2=S)c(OC)c1	ZINC000033333161	524387176	/nfs/dbraw/zinc/38/71/76/524387176.db2.gz	ZOPCTLHQWWISFK-PDGQHHTCSA-N	-1	1	477.498	3.864	50	10		JHCAMM
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4C)c3C)C(=O)NC2=S)cc1	ZINC000002053892	554012410	/nfs/dbraw/zinc/01/24/10/554012410.db2.gz	GWBYODUAGHKVDL-FYJGNVAPSA-N	-1	1	489.553	3.941	50	10		JHCAMM
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)C(=O)NC2=S)cc1	ZINC000002099505	554042053	/nfs/dbraw/zinc/04/20/53/554042053.db2.gz	BXCNKCATQZAMPJ-CIAFOILYSA-N	-1	1	489.553	3.941	50	10		JHCAMM
COCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)[N-]C1=S	ZINC000006288650	554527389	/nfs/dbraw/zinc/52/73/89/554527389.db2.gz	JYVAAINHIGYNBI-XDHOZWIPSA-N	-1	1	453.951	3.616	50	10		JHCAMM
COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)[O-])c3C)c2C)C(=O)NC1=S	ZINC000009264450	555039642	/nfs/dbraw/zinc/03/96/42/555039642.db2.gz	BLALVMDCWCIMBD-CPNJWEJPSA-N	-1	1	489.553	3.941	50	10		JHCAMM
CCCCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)C[C@@H](C(C)(C)C)CC2	ZINC000017270496	556249516	/nfs/dbraw/zinc/24/95/16/556249516.db2.gz	VDNLGLWFUUUMBD-LBPRGKRZSA-N	-1	1	463.625	3.683	50	10		JHCAMM
COc1ccccc1OCCOc1c(Br)cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000027522846	556287025	/nfs/dbraw/zinc/28/70/25/556287025.db2.gz	AJZNILOQYXJKED-UHFFFAOYSA-N	-1	1	491.294	3.514	50	10		JHCAMM
COc1ccccc1OCCOc1c(Br)cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000027522846	556287030	/nfs/dbraw/zinc/28/70/30/556287030.db2.gz	AJZNILOQYXJKED-UHFFFAOYSA-N	-1	1	491.294	3.514	50	10		JHCAMM
O=C([O-])c1ccc(-c2ccc(/C=C3\C(=O)NN(c4cccc(Br)c4)C3=O)o2)cc1	ZINC000027548719	556295576	/nfs/dbraw/zinc/29/55/76/556295576.db2.gz	AAKAENXSDQJSQC-GZTJUZNOSA-N	-1	1	453.248	3.869	50	10		JHCAMM
COc1cccc(Oc2c(=O)c3ccc([O-])c(C[N@@H+](C)CC(=O)[O-])c3oc2C(F)(F)F)c1	ZINC000094993343	569721533	/nfs/dbraw/zinc/72/15/33/569721533.db2.gz	DRPFCNDOMWULLW-UHFFFAOYSA-N	-1	1	453.369	3.835	50	10		JHCAMM
COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1OC	ZINC000096221052	569738527	/nfs/dbraw/zinc/73/85/27/569738527.db2.gz	OYGBCIRIGJZDBY-CYBMUJFWSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1	ZINC000096220938	569738688	/nfs/dbraw/zinc/73/86/88/569738688.db2.gz	WALWEDAADXYCNX-CQSZACIVSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
COc1ccc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4cccc(F)c4)cc3)CC2)cc1	ZINC000004001778	194368278	/nfs/dbraw/zinc/36/82/78/194368278.db2.gz	SLADHNDVHKCEFU-UHFFFAOYSA-N	-1	1	469.538	3.598	50	10		JHCAMM
O=C([O-])COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000009933362	195025307	/nfs/dbraw/zinc/02/53/07/195025307.db2.gz	NSQXHUMHTBXBGY-DHDCSXOGSA-N	-1	1	461.293	3.584	50	10		JHCAMM
COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000001202206	521963591	/nfs/dbraw/zinc/96/35/91/521963591.db2.gz	BAEWVRCZPNAXDJ-DEDYPNTBSA-N	-1	1	488.521	3.804	50	10		JHCAMM
COCCN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)[N-]C1=S	ZINC000006288662	554527404	/nfs/dbraw/zinc/52/74/04/554527404.db2.gz	LCXQWOZVQGESED-LDADJPATSA-N	-1	1	453.951	3.616	50	10		JHCAMM
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C(=O)NC1=S	ZINC000008451758	554597826	/nfs/dbraw/zinc/59/78/26/554597826.db2.gz	FSVXGZZSDNORQO-SFQUDFHCSA-N	-1	1	465.918	3.969	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1	ZINC000009434914	555205775	/nfs/dbraw/zinc/20/57/75/555205775.db2.gz	ZOVPYEHEGUFYCU-UHFFFAOYSA-N	-1	1	474.966	3.728	50	10		JHCAMM
O=C([O-])COc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21	ZINC000096114737	569733881	/nfs/dbraw/zinc/73/38/81/569733881.db2.gz	BZLGGQNSJHEPJK-HNNXBMFYSA-N	-1	1	474.421	3.776	50	10	biogenic	JHCAMM
COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2c(O)c(=O)c3c([O-])cc(-c4ccccc4)oc-3c21	ZINC000096115855	569734857	/nfs/dbraw/zinc/73/48/57/569734857.db2.gz	CLAFEYSEICVBNZ-INIZCTEOSA-N	-1	1	488.448	3.864	50	10	biogenic	JHCAMM
O=C([O-])c1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1	ZINC000096116226	569735182	/nfs/dbraw/zinc/73/51/82/569735182.db2.gz	COKHQSBELXEBTA-AWEZNQCLSA-N	-1	1	460.394	3.716	50	10	biogenic	JHCAMM
COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c(F)c1	ZINC000096221604	569739078	/nfs/dbraw/zinc/73/90/78/569739078.db2.gz	GKHVGXMEHAZXLC-ZDUSSCGKSA-N	-1	1	480.400	3.871	50	10	biogenic	JHCAMM
CCCCn1c([O-])c(C2=NN(C(C)=O)[C@H](c3ccc(N(CC)CC)cc3)C2)c(=O)[nH]c1=S	ZINC000101456255	569798240	/nfs/dbraw/zinc/79/82/40/569798240.db2.gz	LYVTUESBDJZCOJ-IBGZPJMESA-N	-1	1	457.600	3.955	50	10		JHCAMM
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2ccc(Cl)cc2)c1[O-]	ZINC000109046214	569860399	/nfs/dbraw/zinc/86/03/99/569860399.db2.gz	JMEKHDMPTNZWNG-NTEUORMPSA-N	-1	1	491.718	3.998	50	10		JHCAMM
CSc1ccc(C(=O)c2coc3ccc([O-])c(CN4CCN(S(=O)(=O)C(C)C)CC4)c23)cc1	ZINC000218573186	569883542	/nfs/dbraw/zinc/88/35/42/569883542.db2.gz	KWMUGJLAKOESKC-UHFFFAOYSA-N	-1	1	488.631	3.947	50	10		JHCAMM
CCOc1ccc(N2C(=O)/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(Cl)c3)C(=O)NC2=S)cc1	ZINC000009311952	194685529	/nfs/dbraw/zinc/68/55/29/194685529.db2.gz	PWFOEBYNANSLCA-AUWJEWJLSA-N	-1	1	495.340	3.687	50	10		JHCAMM
Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)[O-])c1	ZINC000012628976	195061257	/nfs/dbraw/zinc/06/12/57/195061257.db2.gz	CMBQMAIAEQZARQ-NVMNQCDNSA-N	-1	1	467.865	3.701	50	10		JHCAMM
O=C([O-])c1cccc(COc2cccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2)c1	ZINC000009310767	555086815	/nfs/dbraw/zinc/08/68/15/555086815.db2.gz	UNXBURJFSIEEJL-KGENOOAVSA-N	-1	1	458.495	3.795	50	10		JHCAMM
CC[C@@H](C)N1C(=O)C(=Cc2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)[N-]C1=S	ZINC000016974179	556192857	/nfs/dbraw/zinc/19/28/57/556192857.db2.gz	CTNOOZWFQZTMBJ-ONDHQXCVSA-N	-1	1	477.542	3.757	50	10		JHCAMM
CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000100929737	569776326	/nfs/dbraw/zinc/77/63/26/569776326.db2.gz	FOKRFVSDQSWXCD-UYRXBGFRSA-N	-1	1	453.549	3.971	50	10		JHCAMM
O=C([O-])c1ccc(N2C(=O)C[C@@H](N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1	ZINC000002446977	194161198	/nfs/dbraw/zinc/16/11/98/194161198.db2.gz	SRMDTIIGNZBGNS-AVIKPIRVSA-N	-1	1	472.931	3.572	50	10		JHCAMM
O=C([O-])c1ccc(N2C(=O)CC(N3C(=O)C(=Cc4ccc(Cl)cc4)SC3=S)C2=O)cc1	ZINC000002446977	194161200	/nfs/dbraw/zinc/16/12/00/194161200.db2.gz	SRMDTIIGNZBGNS-AVIKPIRVSA-N	-1	1	472.931	3.572	50	10		JHCAMM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)o1	ZINC000002972430	194189420	/nfs/dbraw/zinc/18/94/20/194189420.db2.gz	GNHSGEPAOHQVRY-LFIBNONCSA-N	-1	1	450.447	3.924	50	10		JHCAMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)cc1	ZINC000004001726	194368482	/nfs/dbraw/zinc/36/84/82/194368482.db2.gz	NJIZGLKLFKOZDT-UHFFFAOYSA-N	-1	1	495.601	3.857	50	10		JHCAMM
COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096221029	129994189	/nfs/dbraw/zinc/99/41/89/129994189.db2.gz	IUMKGBMLEODNNZ-MRXNPFEDSA-N	-1	1	476.437	3.970	50	10	biogenic	JHCAMM
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C(=O)NC1=S	ZINC000002065756	554019775	/nfs/dbraw/zinc/01/97/75/554019775.db2.gz	DQIDRYTUVQVPAV-SFQUDFHCSA-N	-1	1	462.483	3.793	50	10		JHCAMM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1	ZINC000003237268	554435246	/nfs/dbraw/zinc/43/52/46/554435246.db2.gz	NMUGTUCAYOGWPW-UHFFFAOYSA-N	-1	1	467.912	3.850	50	10		JHCAMM
CC(C)n1nccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000096221588	569738998	/nfs/dbraw/zinc/73/89/98/569738998.db2.gz	NXVYZUMNFNZRBN-GFCCVEGCSA-N	-1	1	464.430	3.501	50	10	biogenic	JHCAMM
C[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2[O-])[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]21	ZINC000245236222	570057059	/nfs/dbraw/zinc/05/70/59/570057059.db2.gz	QYJVHFREOZUEMC-ZSTWQFLISA-N	-1	1	495.329	3.601	50	10		JHCAMM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1	ZINC000001101145	194024317	/nfs/dbraw/zinc/02/43/17/194024317.db2.gz	IAOOORGJKLHLOD-LDADJPATSA-N	-1	1	496.342	3.769	50	10		JHCAMM
O=C([O-])c1ccccc1-c1ccc(/C=C2/C(=O)NN(c3cccc(Br)c3)C2=O)o1	ZINC000015822089	556010449	/nfs/dbraw/zinc/01/04/49/556010449.db2.gz	MDWJKALCGGIXQQ-BOPFTXTBSA-N	-1	1	453.248	3.869	50	10		JHCAMM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O	ZINC000095531971	569725456	/nfs/dbraw/zinc/72/54/56/569725456.db2.gz	DNHYNRUPKKVADX-NTUHNPAUSA-N	-1	1	476.239	3.968	50	10		JHCAMM
O=C([O-])COc1ccccc1[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21	ZINC000096114738	569733899	/nfs/dbraw/zinc/73/38/99/569733899.db2.gz	BZLGGQNSJHEPJK-OAHLLOKOSA-N	-1	1	474.421	3.776	50	10	biogenic	JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1cc3ccccc3[nH]c1=O)CC(=O)O2	ZINC000096221317	569738888	/nfs/dbraw/zinc/73/88/88/569738888.db2.gz	DSBXKGFFIZMKHT-CYBMUJFWSA-N	-1	1	499.431	3.565	50	10	biogenic	JHCAMM
COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21	ZINC000096221779	569739108	/nfs/dbraw/zinc/73/91/08/569739108.db2.gz	FWJNLDYZWOMVMK-ZDUSSCGKSA-N	-1	1	462.410	3.732	50	10	biogenic	JHCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000001079070	194019702	/nfs/dbraw/zinc/01/97/02/194019702.db2.gz	KNVKHNQTGHYXEL-UHFFFAOYSA-N	-1	1	490.266	3.925	50	10		JHCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000001079070	194019705	/nfs/dbraw/zinc/01/97/05/194019705.db2.gz	KNVKHNQTGHYXEL-UHFFFAOYSA-N	-1	1	490.266	3.925	50	10		JHCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Cl)ccc1OCc1ccc(Br)cc1	ZINC000001172103	194060777	/nfs/dbraw/zinc/06/07/77/194060777.db2.gz	FZKRRNYSHSIAJX-UHFFFAOYSA-N	-1	1	451.729	3.596	50	10		JHCAMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C	ZINC000002977462	194191617	/nfs/dbraw/zinc/19/16/17/194191617.db2.gz	YJOLZOABXYPTKF-UHFFFAOYSA-N	-1	1	458.898	3.563	50	10		JHCAMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCCOc1cc(C)ccc1C	ZINC000002977462	194191620	/nfs/dbraw/zinc/19/16/20/194191620.db2.gz	YJOLZOABXYPTKF-UHFFFAOYSA-N	-1	1	458.898	3.563	50	10		JHCAMM
Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1C(=O)[O-]	ZINC000002990613	194196434	/nfs/dbraw/zinc/19/64/34/194196434.db2.gz	LNANDHMVIZYOMW-XDHOZWIPSA-N	-1	1	463.490	3.763	50	10		JHCAMM
COc1ccc(N2CCN(C(=O)c3cccc([N-]S(=O)(=O)c4cccc(F)c4)c3)CC2)cc1	ZINC000000631434	553718310	/nfs/dbraw/zinc/71/83/10/553718310.db2.gz	DTYGNUFYJVOXNZ-UHFFFAOYSA-N	-1	1	469.538	3.598	50	10		JHCAMM
O=C1[N-]C(=O)/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1	ZINC000013551202	555491847	/nfs/dbraw/zinc/49/18/47/555491847.db2.gz	QCFMHOZVXQURPE-UHFFFAOYSA-N	-1	1	455.732	3.809	50	10		JHCAMM
O=C1[N-]C(=O)/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1	ZINC000013551202	555491849	/nfs/dbraw/zinc/49/18/49/555491849.db2.gz	QCFMHOZVXQURPE-UHFFFAOYSA-N	-1	1	455.732	3.809	50	10		JHCAMM
CCCCOC(=O)c1c2c(sc1NC=C1C(=O)[N-]C(=S)NC1=O)C[C@H](C(C)(C)C)CC2	ZINC000017270500	556249473	/nfs/dbraw/zinc/24/94/73/556249473.db2.gz	VDNLGLWFUUUMBD-GFCCVEGCSA-N	-1	1	463.625	3.683	50	10		JHCAMM
O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc([O-])c1-3)[C@@H](c1cccc3nccnc31)CC(=O)O2	ZINC000096114299	569733402	/nfs/dbraw/zinc/73/34/02/569733402.db2.gz	HWRADNJSYYEIHC-CQSZACIVSA-N	-1	1	468.421	3.961	50	10	biogenic	JHCAMM
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1=Cc1c(=O)[nH]c(=O)n(-c2cccc(Cl)c2)c1[O-]	ZINC000103807451	569838055	/nfs/dbraw/zinc/83/80/55/569838055.db2.gz	TVQQODJUJOYLTB-NTEUORMPSA-N	-1	1	491.718	3.998	50	10		JHCAMM
O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	ZINC000001198654	194068302	/nfs/dbraw/zinc/06/83/02/194068302.db2.gz	GNPZZTNPQDKJIM-UHFFFAOYSA-N	-1	1	462.281	3.691	50	10		JHCAMM
O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	ZINC000001198654	194068304	/nfs/dbraw/zinc/06/83/04/194068304.db2.gz	GNPZZTNPQDKJIM-UHFFFAOYSA-N	-1	1	462.281	3.691	50	10		JHCAMM
O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1	ZINC000001198654	194068306	/nfs/dbraw/zinc/06/83/06/194068306.db2.gz	GNPZZTNPQDKJIM-UHFFFAOYSA-N	-1	1	462.281	3.691	50	10		JHCAMM
O=c1cc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c2cc(O)c([O-])cc2o1	ZINC000003298220	194271497	/nfs/dbraw/zinc/27/14/97/194271497.db2.gz	NDPICXNSWSPVRV-CYBMUJFWSA-N	-1	1	457.533	3.996	50	10		JHCAMM
COc1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccc(C(=O)[O-])cc3)C(=O)NC2=S)cc1	ZINC000009323941	555097058	/nfs/dbraw/zinc/09/70/58/555097058.db2.gz	JACYDGHOAFGDPQ-STZFKDTASA-N	-1	1	488.521	3.804	50	10		JHCAMM
CCCCN1C(=O)/C(=C\c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)C(=O)[N-]C1=S	ZINC000009339731	555108322	/nfs/dbraw/zinc/10/83/22/555108322.db2.gz	DQHAKPJQMQCGEW-STZFKDTASA-N	-1	1	481.574	3.659	50	10		JHCAMM
CCC(=O)NCCc1c(C=C2C(=O)[N-]C(=S)N(CCc3ccccc3)C2=O)[nH]c2ccccc21	ZINC000017251100	556247875	/nfs/dbraw/zinc/24/78/75/556247875.db2.gz	BNOWOAZFMFGBNH-SILNSSARSA-N	-1	1	474.586	3.946	50	10	biogenic	JHCAMM
COc1ccc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c1	ZINC000096222684	569739653	/nfs/dbraw/zinc/73/96/53/569739653.db2.gz	PAAQPNJUHRLXIX-CQSZACIVSA-N	-1	1	492.436	3.741	50	10	biogenic	JHCAMM
COc1ccc(N2CCN(C(=O)c3ccc([N-]S(=O)(=O)c4ccc(F)c(F)c4)cc3)CC2)cc1	ZINC000004001722	194368363	/nfs/dbraw/zinc/36/83/63/194368363.db2.gz	BZOHQBAIDURTLV-UHFFFAOYSA-N	-1	1	487.528	3.737	50	10		JHCAMM
O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Br)cc4)C3=O)o2)cc1	ZINC000008872516	554768974	/nfs/dbraw/zinc/76/89/74/554768974.db2.gz	WWIAMJLCDVVSRD-BOPFTXTBSA-N	-1	1	453.248	3.869	50	10		JHCAMM
Cc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)c(C)n1-c1ccc(Br)c(Cl)c1	ZINC000009311858	555088277	/nfs/dbraw/zinc/08/82/77/555088277.db2.gz	VGEXHTPZYUXBMP-NTUHNPAUSA-N	-1	1	452.761	3.767	50	10		JHCAMM
CN(CC(=O)c1ccc([O-])c(O)c1)C(=O)CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S	ZINC000010232913	555657961	/nfs/dbraw/zinc/65/79/61/555657961.db2.gz	LLKDBGLKLKMTOR-ODLFYWEKSA-N	-1	1	490.990	3.684	50	10		JHCAMM
O=C(NCc1ccccc1)c1cc2ccccc2c(CN2CCN(C(=O)c3ccncc3)CC2)c1[O-]	ZINC000095406942	569723114	/nfs/dbraw/zinc/72/31/14/569723114.db2.gz	LNKOCRUSEVIBCS-UHFFFAOYSA-N	-1	1	480.568	3.828	50	10		JHCAMM
CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000095471485	569723539	/nfs/dbraw/zinc/72/35/39/569723539.db2.gz	MNPVNADRQNCJAS-FYJGNVAPSA-N	-1	1	480.525	3.752	50	10		JHCAMM
COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c(F)c1	ZINC000096221606	569738980	/nfs/dbraw/zinc/73/89/80/569738980.db2.gz	GKHVGXMEHAZXLC-CYBMUJFWSA-N	-1	1	480.400	3.871	50	10	biogenic	JHCAMM
COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1c(O)cc(C)n(CCc2ccc(O)c(O)c2)c1=O	ZINC000253406682	570097301	/nfs/dbraw/zinc/09/73/01/570097301.db2.gz	JCOSQIULFFUMOI-INIZCTEOSA-N	-1	1	473.909	3.570	50	10	biogenic	JHCAMM