smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCn1cc(C=C2SC(=S)NC2=O)c(-c2cccc3ccccc32)n1	ZINC000003299737	960481056	/nfs/dbraw/zinc/48/10/56/960481056.db2.gz	LKOWLSZJANSEEM-MHWRWJLKSA-N	-1	0	409.492	3.667	50	10		HHCARM
Cc1ccccc1-n1cc(/C=C2/C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cn1	ZINC000016214275	962983460	/nfs/dbraw/zinc/98/34/60/962983460.db2.gz	GEWBIZURVIPNNM-UYRXBGFRSA-N	-1	0	404.470	3.533	50	10		HHCARM
CC(=Nc1ccn(Cc2ccccc2)n1)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O	ZINC000100997791	969195207	/nfs/dbraw/zinc/19/52/07/969195207.db2.gz	VDEQMEJMWFAXFD-QNGOZBTKSA-N	-1	0	416.441	3.948	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C/c3cc(Br)cs3)C(=O)[N-]C2=S)c(C)c1	ZINC000000664641	132230296	/nfs/dbraw/zinc/23/02/96/132230296.db2.gz	LTHAYWHNTOVDFB-NTUHNPAUSA-N	-1	0	421.341	3.959	50	10		HHCARM
COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Cl	ZINC000001198764	132241902	/nfs/dbraw/zinc/24/19/02/132241902.db2.gz	UAYMNHQVCJXUBB-NTUHNPAUSA-N	-1	0	405.237	3.977	50	10		HHCARM
Cc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O	ZINC000001206988	132242392	/nfs/dbraw/zinc/24/23/92/132242392.db2.gz	SFNCXUDCZWIGSG-XNTDXEJSSA-N	-1	0	401.285	3.589	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1	ZINC000004620689	132280361	/nfs/dbraw/zinc/28/03/61/132280361.db2.gz	QYOAQOMFRLRVLZ-VKAVYKQESA-N	-1	0	409.486	3.647	50	10		HHCARM
CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000004725193	132286033	/nfs/dbraw/zinc/28/60/33/132286033.db2.gz	BYGIGKUGUXROJV-GDNBJRDFSA-N	-1	0	416.886	3.579	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(N2CCCC2)o1	ZINC000008913852	132334051	/nfs/dbraw/zinc/33/40/51/132334051.db2.gz	SVVDYUMVXPFBGQ-PTNGSMBKSA-N	-1	0	401.875	3.776	50	10		HHCARM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1Cl	ZINC000012362862	132359001	/nfs/dbraw/zinc/35/90/01/132359001.db2.gz	LXCMYLZGUUMZRN-ZROIWOOFSA-N	-1	0	400.887	3.797	50	10		HHCARM
CC(C)[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)[O-]	ZINC000044075892	519821285	/nfs/dbraw/zinc/82/12/85/519821285.db2.gz	AJSKPBGSGLIRQK-MKSIGINJSA-N	-1	0	404.492	3.556	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@H]2CC(Cl)=CC[C@H]2C(=O)[O-])sc2c1CCCC2	ZINC000001175222	557227203	/nfs/dbraw/zinc/22/72/03/557227203.db2.gz	PYWGQTDTTLPVSD-YPMHNXCESA-N	-1	0	411.907	3.976	50	10		HHCARM
COc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c(OC)c1	ZINC000001805066	557289614	/nfs/dbraw/zinc/28/96/14/557289614.db2.gz	QLPGPHPPKQZNJY-KGZWWPETSA-N	-1	0	415.492	3.731	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)SC1=S	ZINC000002697118	557368708	/nfs/dbraw/zinc/36/87/08/557368708.db2.gz	KGHMXHZVJWLQFP-NTUHNPAUSA-N	-1	0	424.297	3.995	50	10		HHCARM
C[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2C(N)=O)C1	ZINC000013061756	558509881	/nfs/dbraw/zinc/50/98/81/558509881.db2.gz	SWKUMRAJPFJQGO-VIFPVBQESA-N	-1	0	418.462	3.791	50	10		HHCARM
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(C)cc4)C3=O)o2)cc1	ZINC000013615659	558549428	/nfs/dbraw/zinc/54/94/28/558549428.db2.gz	UCZVMDXMZOEWNO-ZHZULCJRSA-N	-1	0	416.433	3.893	50	10		HHCARM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S	ZINC000013721618	558582313	/nfs/dbraw/zinc/58/23/13/558582313.db2.gz	BUUQKCNOTBEJNR-JBXOJTMHSA-N	-1	0	407.476	3.657	50	10		HHCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1O	ZINC000013814577	558595967	/nfs/dbraw/zinc/59/59/67/558595967.db2.gz	UKHFUHMSEFLQFF-PDGQHHTCSA-N	-1	0	419.412	3.810	50	10		HHCARM
COc1ccc(OC)c(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)c1	ZINC000004524148	558652470	/nfs/dbraw/zinc/65/24/70/558652470.db2.gz	ASYYDXCAIAVMMR-DHDCSXOGSA-N	-1	0	400.818	3.862	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(O)cc1	ZINC000034222101	560589948	/nfs/dbraw/zinc/58/99/48/560589948.db2.gz	PQBBXXONIWEJMM-ZSOIEALJSA-N	-1	0	403.257	3.826	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Br)ccc1O	ZINC000034221942	560589990	/nfs/dbraw/zinc/58/99/90/560589990.db2.gz	AAQODDFPUDPRRB-LCYFTJDESA-N	-1	0	403.257	3.826	50	10		HHCARM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)C1=CNc1cccc(C(F)(F)F)c1	ZINC000017245933	560705585	/nfs/dbraw/zinc/70/55/85/560705585.db2.gz	CSRGXQVGNIHCBN-VBKFSLOCSA-N	-1	0	407.392	3.970	50	10		HHCARM
Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nn1cnnc1	ZINC000101128221	560788321	/nfs/dbraw/zinc/78/83/21/560788321.db2.gz	VNOBLFRJASDMBP-CIAFOILYSA-N	-1	0	402.502	3.596	50	10		HHCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1cccnc1	ZINC000102906891	560835155	/nfs/dbraw/zinc/83/51/55/560835155.db2.gz	WISOJRVDPMKGJR-GRSHGNNSSA-N	-1	0	420.469	3.871	50	10		HHCARM
CC(=O)Nc1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)c([N+](=O)[O-])c1	ZINC000103864742	560844745	/nfs/dbraw/zinc/84/47/45/560844745.db2.gz	IJCRHGQDHWZYTJ-BOPFTXTBSA-N	-1	0	407.430	3.889	50	10		HHCARM
CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc1OCC	ZINC000015822955	560857605	/nfs/dbraw/zinc/85/76/05/560857605.db2.gz	MXIVUBKXQYUVHU-LGMDPLHJSA-N	-1	0	408.454	3.713	50	10		HHCARM
Cc1oc2c(ccc([O-])c2CN2CCOCC2)c(=O)c1-c1nc2ccccc2s1	ZINC000020113095	568589243	/nfs/dbraw/zinc/58/92/43/568589243.db2.gz	VCIKTINLLZWWQO-UHFFFAOYSA-N	-1	0	408.479	3.916	50	10	biogenic	HHCARM
CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C(=N)N12	ZINC000020154733	568591065	/nfs/dbraw/zinc/59/10/65/568591065.db2.gz	SKNWLPQKCTVJJV-GHZHVEGCSA-N	-1	0	412.452	3.584	50	10		HHCARM
COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)c(OC)c1	ZINC000012391582	568696007	/nfs/dbraw/zinc/69/60/07/568696007.db2.gz	ZPRJAQRYFSCXQQ-KRWDZBQOSA-N	-1	0	420.465	3.752	50	10		HHCARM
O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21	ZINC000000940539	568752939	/nfs/dbraw/zinc/75/29/39/568752939.db2.gz	LBUXRSIZBJQCAB-NRFANRHFSA-N	-1	0	415.445	3.951	50	10	biogenic	HHCARM
CC(C)C[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21	ZINC000217653028	568903377	/nfs/dbraw/zinc/90/33/77/568903377.db2.gz	PPBDTMYBEGSWSJ-LLVKDONJSA-N	-1	0	412.394	3.721	50	10	biogenic	HHCARM
Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1	ZINC000006142027	569014315	/nfs/dbraw/zinc/01/43/15/569014315.db2.gz	FKHXRYUBYFICFH-XNTDXEJSSA-N	-1	0	424.956	3.743	50	10		HHCARM
Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1C	ZINC000006215588	569033321	/nfs/dbraw/zinc/03/33/21/569033321.db2.gz	IFUASAXSTZENKM-UNOMPAQXSA-N	-1	0	402.406	3.723	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000001898413	569057247	/nfs/dbraw/zinc/05/72/47/569057247.db2.gz	ZLRIKBKFZDQPKP-XNTDXEJSSA-N	-1	0	418.452	3.921	50	10		HHCARM
COc1ccc(-c2nnc(-c3ccccc3)o2)cc1S(=O)(=O)[N-]c1ccc(O)cc1	ZINC000064988092	569145608	/nfs/dbraw/zinc/14/56/08/569145608.db2.gz	RLAQTWSPZSSYAE-UHFFFAOYSA-N	-1	0	423.450	3.919	50	10		HHCARM
CC(C)OC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1	ZINC000013615671	569256685	/nfs/dbraw/zinc/25/66/85/569256685.db2.gz	IXBJNSVFPVYAIZ-ZHZULCJRSA-N	-1	0	416.433	3.973	50	10		HHCARM
CC(=C\c1ccccc1)/C=C1\SC(=S)N([N-]S(=O)(=O)c2ccccc2)C1=O	ZINC000008828411	571122437	/nfs/dbraw/zinc/12/24/37/571122437.db2.gz	DMYRIVYLLBJZLW-PZAFVPBJSA-N	-1	0	416.549	3.728	50	10		HHCARM
CCOc1ccc(N2C(=O)/C(=C/c3c(C)[nH]c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000001142791	960458980	/nfs/dbraw/zinc/45/89/80/960458980.db2.gz	WIXLFNSELJBFSQ-LDADJPATSA-N	-1	0	405.479	3.706	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1	ZINC000004567913	960607959	/nfs/dbraw/zinc/60/79/59/960607959.db2.gz	RLUTXHNLZIYJRF-PDGQHHTCSA-N	-1	0	411.914	3.772	50	10		HHCARM
O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C\c1cnn(-c2ccc(Cl)cc2)c1	ZINC000097152299	969097174	/nfs/dbraw/zinc/09/71/74/969097174.db2.gz	JTTBSZXGHBJPJD-YHYXMXQVSA-N	-1	0	420.856	3.881	50	10		HHCARM
CN1c2ccccc2C(C)(C)/C1=C\C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000097990681	969182914	/nfs/dbraw/zinc/18/29/14/969182914.db2.gz	WJCKMMKGWDUHOL-RWPWKDLBSA-N	-1	0	402.541	3.907	50	10		HHCARM
CCn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21	ZINC000000686360	132230944	/nfs/dbraw/zinc/23/09/44/132230944.db2.gz	FFMYOWAWFZRWHI-PDGQHHTCSA-N	-1	0	405.479	3.501	50	10		HHCARM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)ccc1Br	ZINC000000726241	132232130	/nfs/dbraw/zinc/23/21/30/132232130.db2.gz	LNFXSWVPKDJALC-NTEUORMPSA-N	-1	0	403.207	3.563	50	10		HHCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1	ZINC000001161215	132239741	/nfs/dbraw/zinc/23/97/41/132239741.db2.gz	GIYQLGSNERKPGW-RVDMUPIBSA-N	-1	0	401.850	3.754	50	10		HHCARM
COc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	ZINC000002883846	132259031	/nfs/dbraw/zinc/25/90/31/132259031.db2.gz	HEUQEWVCZSQCHB-WUXMJOGZSA-N	-1	0	409.200	3.808	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1[N+](=O)[O-]	ZINC000002990328	132261263	/nfs/dbraw/zinc/26/12/63/132261263.db2.gz	NJNRBBBYWLOMST-UKTHLTGXSA-N	-1	0	416.187	3.864	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccc(Cl)cc1	ZINC000004703288	132283853	/nfs/dbraw/zinc/28/38/53/132283853.db2.gz	KIWFBZMPKUUWAJ-VBKFSLOCSA-N	-1	0	409.804	3.936	50	10		HHCARM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000001015620	536655311	/nfs/dbraw/zinc/65/53/11/536655311.db2.gz	CCKOFBYXPRVBJB-UKTHLTGXSA-N	-1	0	422.293	3.746	50	10		HHCARM
COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)cc2Cl)C1=O	ZINC000002914902	536981593	/nfs/dbraw/zinc/98/15/93/536981593.db2.gz	WUKDYRRBUHICMT-XYOKQWHBSA-N	-1	0	407.278	3.833	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000001175225	557227199	/nfs/dbraw/zinc/22/71/99/557227199.db2.gz	PYWGQTDTTLPVSD-WCQYABFASA-N	-1	0	411.907	3.976	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000002289366	557334610	/nfs/dbraw/zinc/33/46/10/557334610.db2.gz	HZJKOFNHLUILSC-GDNBJRDFSA-N	-1	0	418.452	3.921	50	10		HHCARM
O=C([O-])COc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1Cl	ZINC000002815589	557394903	/nfs/dbraw/zinc/39/49/03/557394903.db2.gz	DHYOCIPWQLARGH-AUWJEWJLSA-N	-1	0	409.872	3.798	50	10		HHCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(Cl)c3)C2=O)c1	ZINC000004704506	557584738	/nfs/dbraw/zinc/58/47/38/557584738.db2.gz	QJJBJUWZMXMIQK-YBEGLDIGSA-N	-1	0	414.845	3.804	50	10		HHCARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	ZINC000005835550	557676900	/nfs/dbraw/zinc/67/69/00/557676900.db2.gz	COHIEJLWRGREHV-YTRUQHMWSA-N	-1	0	400.319	3.760	50	10	in-vitro	HHCARM
CN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc32)CC1	ZINC000019791522	558282778	/nfs/dbraw/zinc/28/27/78/558282778.db2.gz	WLBNKUZVUKSAHV-UHFFFAOYSA-N	-1	0	418.415	3.932	50	10	biogenic	HHCARM
COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000013838363	558597010	/nfs/dbraw/zinc/59/70/10/558597010.db2.gz	JERODJSOVRUHAC-ZROIWOOFSA-N	-1	0	407.651	3.573	50	10		HHCARM
CC(=C\c1ccccc1)/C=C1/SC(=S)N([N-]S(=O)(=O)c2ccccc2)C1=O	ZINC000027229624	558671098	/nfs/dbraw/zinc/67/10/98/558671098.db2.gz	DMYRIVYLLBJZLW-SWZGKVDCSA-N	-1	0	416.549	3.728	50	10		HHCARM
COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O	ZINC000015010278	558699895	/nfs/dbraw/zinc/69/98/95/558699895.db2.gz	SCBSDEJIGJTPBR-PKNBQFBNSA-N	-1	0	407.278	3.833	50	10		HHCARM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)o1	ZINC000015013091	558700924	/nfs/dbraw/zinc/70/09/24/558700924.db2.gz	GIYQLGSNERKPGW-PTNGSMBKSA-N	-1	0	401.850	3.754	50	10		HHCARM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	ZINC000016182959	558775521	/nfs/dbraw/zinc/77/55/21/558775521.db2.gz	ULLCRNJKBINZHJ-MTJSOVHGSA-N	-1	0	405.429	3.993	50	10		HHCARM
CCOc1cc(C=C2SC(Nc3ccc(C)cc3)=NC2=O)ccc1OCC(=O)[O-]	ZINC000016193484	558776769	/nfs/dbraw/zinc/77/67/69/558776769.db2.gz	UYQASGKUISCHBL-WQRHYEAKSA-N	-1	0	412.467	3.940	50	10		HHCARM
COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000017027730	558812159	/nfs/dbraw/zinc/81/21/59/558812159.db2.gz	UTSXTFBMAFSULH-XNTDXEJSSA-N	-1	0	423.425	3.765	50	10		HHCARM
Cc1ccc(OCCOc2cccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)c2)cc1	ZINC000013799420	558883287	/nfs/dbraw/zinc/88/32/87/558883287.db2.gz	XSXRGZVWSBGSKK-QJOMJCCJSA-N	-1	0	414.461	3.914	50	10		HHCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S	ZINC000096997901	559016767	/nfs/dbraw/zinc/01/67/67/559016767.db2.gz	MFBZPVMKNARBCZ-ZROIWOOFSA-N	-1	0	420.493	3.999	50	10		HHCARM
COc1ccc(OC)c(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)c1	ZINC000033296128	559047403	/nfs/dbraw/zinc/04/74/03/559047403.db2.gz	ASYYDXCAIAVMMR-OQLLNIDSSA-N	-1	0	400.818	3.862	50	10		HHCARM
COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000033333414	559063336	/nfs/dbraw/zinc/06/33/36/559063336.db2.gz	SBBLBDRUBMCTHP-LDADJPATSA-N	-1	0	422.824	3.848	50	10		HHCARM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2c2ccccc2)cc1	ZINC000005201092	560537789	/nfs/dbraw/zinc/53/77/89/560537789.db2.gz	HAHIFFPQESYUPS-UNOMPAQXSA-N	-1	0	412.401	3.948	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)cc3O)C2=O)cc1	ZINC000034201506	560587560	/nfs/dbraw/zinc/58/75/60/560587560.db2.gz	JTHUKYPIJRWRPW-SDQBBNPISA-N	-1	0	417.215	3.675	50	10		HHCARM
CCOc1cc2c(cc1/C=C1\SC(=S)N(CCCCC(=O)[O-])C1=O)O[C@@H](C)C2	ZINC000006941085	560634625	/nfs/dbraw/zinc/63/46/25/560634625.db2.gz	DTKMHUMUPBUXCO-UEMWTREESA-N	-1	0	421.540	3.865	50	10		HHCARM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C	ZINC000002262610	560730913	/nfs/dbraw/zinc/73/09/13/560730913.db2.gz	DNGXZUNKRHKDHZ-XYOKQWHBSA-N	-1	0	408.310	3.780	50	10		HHCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000101150106	560788762	/nfs/dbraw/zinc/78/87/62/560788762.db2.gz	HGWNDGILZUPKSX-CXUHLZMHSA-N	-1	0	401.766	3.875	50	10		HHCARM
CCCC[C@@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000102411556	560810843	/nfs/dbraw/zinc/81/08/43/560810843.db2.gz	JZTFAHZEIWARHU-AQRXXJNJSA-N	-1	0	415.534	3.674	50	10		HHCARM
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[N-]c3nc4ccccc4s3)ccc21	ZINC000003832804	568868764	/nfs/dbraw/zinc/86/87/64/568868764.db2.gz	ZIHRPFXZJPLOMT-UHFFFAOYSA-N	-1	0	420.471	3.873	50	10		HHCARM
C[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2C(N)=O)C1	ZINC000012619071	568872411	/nfs/dbraw/zinc/87/24/11/568872411.db2.gz	IBDZITCYCZWUSI-LBPRGKRZSA-N	-1	0	400.525	3.926	50	10		HHCARM
CC(C)C[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21	ZINC000217653121	568903424	/nfs/dbraw/zinc/90/34/24/568903424.db2.gz	PPBDTMYBEGSWSJ-NSHDSACASA-N	-1	0	412.394	3.721	50	10	biogenic	HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCCOc1ccccc1	ZINC000006194176	569031340	/nfs/dbraw/zinc/03/13/40/569031340.db2.gz	YWTDYTPMDQNKAV-PYCFMQQDSA-N	-1	0	414.461	3.996	50	10		HHCARM
Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000252676134	569319622	/nfs/dbraw/zinc/31/96/22/569319622.db2.gz	WBRNYUCRCLWKMP-UHFFFAOYSA-N	-1	0	415.474	3.563	50	10		HHCARM
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([O-])c([N+](=O)[O-])c1	ZINC000100147841	969194370	/nfs/dbraw/zinc/19/43/70/969194370.db2.gz	CCRFNIDXSMFTTO-RIYZIHGNSA-N	-1	0	402.204	3.869	50	10		HHCARM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1	ZINC000001172911	132240244	/nfs/dbraw/zinc/24/02/44/132240244.db2.gz	RKMDOABQPSUMEI-MHWRWJLKSA-N	-1	0	415.243	3.514	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1Br	ZINC000001213677	132242815	/nfs/dbraw/zinc/24/28/15/132242815.db2.gz	HGVPEOOKAQMSQV-UKTHLTGXSA-N	-1	0	405.635	3.769	50	10		HHCARM
CCOc1ccc(N2C(=O)C(=Cc3cn(C)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000006784053	132316332	/nfs/dbraw/zinc/31/63/32/132316332.db2.gz	AKWWHGBYRDAZQB-PDGQHHTCSA-N	-1	0	405.479	3.820	50	10		HHCARM
CCCCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)ccc21	ZINC000005032918	535275007	/nfs/dbraw/zinc/27/50/07/535275007.db2.gz	NBYSTTFSKDWFCD-XMHGGMMESA-N	-1	0	407.445	3.859	50	10		HHCARM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)c1OC(C)C	ZINC000001160656	537078019	/nfs/dbraw/zinc/07/80/19/537078019.db2.gz	VXGSDCAFXSXBSQ-LDADJPATSA-N	-1	0	424.522	3.931	50	10		HHCARM
O=C([N-]N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)c1ccccc1[N+](=O)[O-]	ZINC000000975289	557128583	/nfs/dbraw/zinc/12/85/83/557128583.db2.gz	CHFKDGUIQXZZCU-ZROIWOOFSA-N	-1	0	419.871	3.794	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C3\c4ccccc4N(CC(=O)[O-])C3=O)SC2=S)cc1C	ZINC000001811596	557290186	/nfs/dbraw/zinc/29/01/86/557290186.db2.gz	XDYMXNPCDFKDET-ZCXUNETKSA-N	-1	0	424.503	3.511	50	10		HHCARM
COc1cc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)ccc1OCC(=O)[O-]	ZINC000004919232	557614322	/nfs/dbraw/zinc/61/43/22/557614322.db2.gz	VXJUVESIUVBZDN-ZROIWOOFSA-N	-1	0	400.818	3.618	50	10		HHCARM
COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1	ZINC000013123396	558517928	/nfs/dbraw/zinc/51/79/28/558517928.db2.gz	DPRQAHPQYRUTPT-ZFOVBUMHSA-N	-1	0	415.492	3.731	50	10		HHCARM
Cc1ccccc1Cn1cccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000013552876	558539520	/nfs/dbraw/zinc/53/95/20/558539520.db2.gz	FYEOJCSPCAGMRA-DEDYPNTBSA-N	-1	0	403.413	3.650	50	10		HHCARM
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S	ZINC000013736361	558588538	/nfs/dbraw/zinc/58/85/38/558588538.db2.gz	LPMHWPBUPFMTRI-PCJMVEANSA-N	-1	0	404.557	3.770	50	10		HHCARM
COc1cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015010714	558700101	/nfs/dbraw/zinc/70/01/01/558700101.db2.gz	VZKNRJCCHOFAFG-WJDWOHSUSA-N	-1	0	416.480	3.753	50	10		HHCARM
Cc1[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c1C=Nn1cnnc1	ZINC000017193974	558825390	/nfs/dbraw/zinc/82/53/90/558825390.db2.gz	VNOBLFRJASDMBP-MTJSOVHGSA-N	-1	0	402.502	3.596	50	10		HHCARM
COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004623628	558887525	/nfs/dbraw/zinc/88/75/25/558887525.db2.gz	XFZYFNFEFFKRCP-SVMVAKDDSA-N	-1	0	420.465	3.504	50	10		HHCARM
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)cs2)cc1	ZINC000011904361	559266025	/nfs/dbraw/zinc/26/60/25/559266025.db2.gz	IKVJERWODQDKBR-LBPRGKRZSA-N	-1	0	415.496	3.639	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000001196450	560727694	/nfs/dbraw/zinc/72/76/94/560727694.db2.gz	RDPHMZXIGRUCLB-YRNVUSSQSA-N	-1	0	411.664	3.527	50	10		HHCARM
COC(=O)c1ccc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)cc1	ZINC000101112965	560786678	/nfs/dbraw/zinc/78/66/78/560786678.db2.gz	JGXMVELAPXVYQB-GZTJUZNOSA-N	-1	0	414.259	3.954	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Br)cc1	ZINC000102879900	560833680	/nfs/dbraw/zinc/83/36/80/560833680.db2.gz	LRFJLOBRHNNIPH-NTEUORMPSA-N	-1	0	420.650	3.681	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccccc1	ZINC000022135468	568475721	/nfs/dbraw/zinc/47/57/21/568475721.db2.gz	KAXGSYSNMANGGZ-LHQXNBGVSA-N	-1	0	413.296	3.837	50	10		HHCARM
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000000981428	568760323	/nfs/dbraw/zinc/76/03/23/568760323.db2.gz	WAHMXQPZUFFUBT-SXGWCWSVSA-N	-1	0	415.423	3.553	50	10		HHCARM
CCc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1	ZINC000005954365	568832235	/nfs/dbraw/zinc/83/22/35/568832235.db2.gz	IMTWOUPRWIFYHX-UYRXBGFRSA-N	-1	0	402.406	3.669	50	10		HHCARM
Cc1cccc(C(=O)Oc2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)cc2)c1	ZINC000002998332	568836416	/nfs/dbraw/zinc/83/64/16/568836416.db2.gz	HRWZEPDZXLUTSJ-MHWRWJLKSA-N	-1	0	413.476	3.500	50	10		HHCARM
CCOc1cc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)ccc1O	ZINC000001243085	568908288	/nfs/dbraw/zinc/90/82/88/568908288.db2.gz	FESYXZABNCGZDN-YTBHAWNYSA-N	-1	0	415.492	3.818	50	10		HHCARM
O=C([O-])c1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S	ZINC000001840363	569056505	/nfs/dbraw/zinc/05/65/05/569056505.db2.gz	VNMYZUCXXKBSJZ-PTNGSMBKSA-N	-1	0	416.480	3.598	50	10		HHCARM
COc1ccc2nc(/C=C3\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C3=O)ccc2c1	ZINC000054360846	569072239	/nfs/dbraw/zinc/07/22/39/569072239.db2.gz	SXSLAJFRSAEVDU-QOBZYLRHSA-N	-1	0	402.497	3.554	50	10		HHCARM
COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc(Cl)c1OC	ZINC000013914939	569258151	/nfs/dbraw/zinc/25/81/51/569258151.db2.gz	PTKDJNZBNYDOCK-NVNXTCNLSA-N	-1	0	400.818	3.862	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc2c(c1)OCO2	ZINC000017027780	569272086	/nfs/dbraw/zinc/27/20/86/569272086.db2.gz	WJRWAXAVSKIVCC-AWNIVKPZSA-N	-1	0	404.300	3.941	50	10		HHCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1cccn1CCOc1ccccc1	ZINC000002220895	569312922	/nfs/dbraw/zinc/31/29/22/569312922.db2.gz	IGDDJXNGLVUJAS-RGEXLXHISA-N	-1	0	405.410	3.662	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1Cc1ccccc1Cl	ZINC000002232221	569319923	/nfs/dbraw/zinc/31/99/23/569319923.db2.gz	YKDNWGLLKMXOIR-PDGQHHTCSA-N	-1	0	423.831	3.995	50	10		HHCARM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1	ZINC000008914032	571150188	/nfs/dbraw/zinc/15/01/88/571150188.db2.gz	YDPNDYAFPIKCKK-GDNBJRDFSA-N	-1	0	408.414	3.784	50	10		HHCARM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3cccnc23)SC1=S	ZINC000009484522	571262297	/nfs/dbraw/zinc/26/22/97/571262297.db2.gz	MYAFUDZOIRCCLI-ODUNQGDFSA-N	-1	0	404.538	3.642	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(N2CCCCC2)o1	ZINC000001085953	132236832	/nfs/dbraw/zinc/23/68/32/132236832.db2.gz	UTOWQUZMHXAQNL-RVDMUPIBSA-N	-1	0	409.398	3.505	50	10		HHCARM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000001153556	132239353	/nfs/dbraw/zinc/23/93/53/132239353.db2.gz	BWBWOIMRKKVSTB-VVBXCHJUSA-N	-1	0	412.417	3.678	50	10		HHCARM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000001154286	132239540	/nfs/dbraw/zinc/23/95/40/132239540.db2.gz	FMPLIHIUSJOGSU-BRFSQIRFSA-N	-1	0	408.454	3.847	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(-c2ccc(F)cc2)o1	ZINC000001185704	132240970	/nfs/dbraw/zinc/24/09/70/132240970.db2.gz	RQZSXOKOFWKLHI-MHWRWJLKSA-N	-1	0	420.352	3.685	50	10		HHCARM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1Cl	ZINC000001194070	132241443	/nfs/dbraw/zinc/24/14/43/132241443.db2.gz	WVWHULLTKIDLIO-GXDHUFHOSA-N	-1	0	400.887	3.878	50	10		HHCARM
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1OC	ZINC000001306769	132243738	/nfs/dbraw/zinc/24/37/38/132243738.db2.gz	WNYFKQZWVRDTND-UVTDQMKNSA-N	-1	0	416.817	3.873	50	10		HHCARM
COc1cccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000008996001	132334834	/nfs/dbraw/zinc/33/48/34/132334834.db2.gz	FHYTZFXWNWBIEN-UYRXBGFRSA-N	-1	0	407.495	3.538	50	10		HHCARM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)cc1Cl	ZINC000012363188	132359008	/nfs/dbraw/zinc/35/90/08/132359008.db2.gz	YYXYDSYNEGKBIO-ZROIWOOFSA-N	-1	0	400.887	3.797	50	10		HHCARM
COc1cc(/C=C2/C(=O)[N-]N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1	ZINC000000623593	557020243	/nfs/dbraw/zinc/02/02/43/557020243.db2.gz	KRPNZLNLWGWQRK-NDENLUEZSA-N	-1	0	418.424	3.875	50	10		HHCARM
O=C(Oc1cccc(/C=C2/C(=O)[N-]N(c3cccc(F)c3)C2=O)c1)c1cccs1	ZINC000000983924	557131494	/nfs/dbraw/zinc/13/14/94/557131494.db2.gz	OJJKOJXPKLKTLO-BOPFTXTBSA-N	-1	0	408.410	3.568	50	10		HHCARM
Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c2ccccc21	ZINC000001180307	557230249	/nfs/dbraw/zinc/23/02/49/557230249.db2.gz	KOJJGUBAQNAYFR-CXUHLZMHSA-N	-1	0	424.254	3.607	50	10		HHCARM
O=C([O-])[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000002583003	557358310	/nfs/dbraw/zinc/35/83/10/557358310.db2.gz	NIJSCWCPASSJPI-FQEVSTJZSA-N	-1	0	419.433	3.632	50	10		HHCARM
CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000004614285	557572564	/nfs/dbraw/zinc/57/25/64/557572564.db2.gz	RLSOPXMBRGJTNT-KNPMLCFXSA-N	-1	0	405.516	3.878	50	10		HHCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000008763409	557805862	/nfs/dbraw/zinc/80/58/62/557805862.db2.gz	RKFBRMJYSGVVEY-NCPSJORJSA-N	-1	0	418.452	3.919	50	10		HHCARM
N=C1S/C(=C\c2ccc(-c3ccc(O)c(C(=O)[O-])c3)o2)C(=O)N1c1nccs1	ZINC000012428587	558403934	/nfs/dbraw/zinc/40/39/34/558403934.db2.gz	RJZWEPFYPQHKQE-PUOZGBORSA-N	-1	0	413.436	3.863	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c(OC)c1	ZINC000013122459	558517481	/nfs/dbraw/zinc/51/74/81/558517481.db2.gz	QLPGPHPPKQZNJY-RNIVLKNTSA-N	-1	0	415.492	3.731	50	10		HHCARM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2C)SC1=S	ZINC000013730151	558586331	/nfs/dbraw/zinc/58/63/31/558586331.db2.gz	YZESAYPDGUCDEM-RAGYYJGWSA-N	-1	0	421.565	3.801	50	10		HHCARM
CCCCN1CCc2cc(/C=C3/C(=O)[N-]C(=S)N(c4ccccc4)C3=O)ccc21	ZINC000013842508	558597099	/nfs/dbraw/zinc/59/70/99/558597099.db2.gz	ZNYAWUSSSUMYKI-CYVLTUHYSA-N	-1	0	405.523	3.681	50	10		HHCARM
COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OCC(=O)[O-]	ZINC000015011660	558700726	/nfs/dbraw/zinc/70/07/26/558700726.db2.gz	LHPHSNLEEMIAGY-LICLKQGHSA-N	-1	0	415.492	3.873	50	10		HHCARM
COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(C)c(C)c4)C3=O)o2)c1	ZINC000017146068	558824098	/nfs/dbraw/zinc/82/40/98/558824098.db2.gz	DERQLWVPWRZIBV-MOSHPQCFSA-N	-1	0	416.433	3.811	50	10		HHCARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2OC(F)F)C[C@@H]1c1ccccc1O	ZINC000080316150	559022050	/nfs/dbraw/zinc/02/20/50/559022050.db2.gz	ZVLDMJZHTLKTEM-OAHLLOKOSA-N	-1	0	404.369	3.536	50	10		HHCARM
COc1cc(/C=C2\C(=O)[N-]N(c3cccc(F)c3)C2=O)ccc1OCc1ccccc1	ZINC000033330507	559062027	/nfs/dbraw/zinc/06/20/27/559062027.db2.gz	KRPNZLNLWGWQRK-UDWIEESQSA-N	-1	0	418.424	3.875	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Cl)c1O	ZINC000005200357	559292619	/nfs/dbraw/zinc/29/26/19/559292619.db2.gz	YENOJXZQNOPYJV-CHHVJCJISA-N	-1	0	400.818	3.949	50	10		HHCARM
CCOc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)[O-])SC2=S)cc1	ZINC000004929480	560736578	/nfs/dbraw/zinc/73/65/78/560736578.db2.gz	ITUWJUPKOKXVEZ-GZTJUZNOSA-N	-1	0	415.492	3.955	50	10		HHCARM
COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1Cl	ZINC000005703273	560798631	/nfs/dbraw/zinc/79/86/31/560798631.db2.gz	OTDJNWMTDJEFFP-PKNBQFBNSA-N	-1	0	406.225	3.581	50	10		HHCARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)cc1C	ZINC000016183001	560859363	/nfs/dbraw/zinc/85/93/63/560859363.db2.gz	IFQCXJKYUDZWJY-UDWIEESQSA-N	-1	0	417.465	3.966	50	10		HHCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1	ZINC000022130580	568475812	/nfs/dbraw/zinc/47/58/12/568475812.db2.gz	DWMAVSDWOKTKNS-CPNJWEJPSA-N	-1	0	423.538	3.681	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1O	ZINC000022239195	568477341	/nfs/dbraw/zinc/47/73/41/568477341.db2.gz	MCKYZAHVGJTDLS-YRNVUSSQSA-N	-1	0	421.236	3.764	50	10		HHCARM
O=C([O-])CCn1cc(C=C2SC(=S)NC2=O)c(-c2cccc3ccccc32)n1	ZINC000012377798	568552200	/nfs/dbraw/zinc/55/22/00/568552200.db2.gz	LKOWLSZJANSEEM-YBEGLDIGSA-N	-1	0	409.492	3.667	50	10		HHCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNNc3ccc(Br)cc3)C2=O)c1	ZINC000038161365	568569858	/nfs/dbraw/zinc/56/98/58/568569858.db2.gz	KPBYUGOIFVQFNV-XNTDXEJSSA-N	-1	0	415.247	3.681	50	10		HHCARM
CCOc1ccccc1Oc1c(C)oc2c(ccc([O-])c2CN2CCOCC2)c1=O	ZINC000020358152	568600506	/nfs/dbraw/zinc/60/05/06/568600506.db2.gz	CCHRQJBNUHAMMG-UHFFFAOYSA-N	-1	0	411.454	3.830	50	10	biogenic	HHCARM
COc1ccc(Br)cc1/C=C1\C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000000859653	568713440	/nfs/dbraw/zinc/71/34/40/568713440.db2.gz	JWLDVUVZOBYSAF-NTEUORMPSA-N	-1	0	407.651	3.573	50	10		HHCARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(N)=O)cc2)o1	ZINC000012412869	568715756	/nfs/dbraw/zinc/71/57/56/568715756.db2.gz	PVBUHOUQRIJFQH-XDHOZWIPSA-N	-1	0	415.405	3.550	50	10		HHCARM
COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)cc1O	ZINC000085875558	569009522	/nfs/dbraw/zinc/00/95/22/569009522.db2.gz	KKLSBJAMYOTHHJ-UHFFFAOYSA-N	-1	0	421.409	3.997	50	10	biogenic	HHCARM
O=C([O-])CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000001908602	569149869	/nfs/dbraw/zinc/14/98/69/569149869.db2.gz	FNGXWOIGFSRSSD-NTEUORMPSA-N	-1	0	404.425	3.531	50	10		HHCARM
O=S(=O)([N-]c1ccc(O)cc1OC(F)(F)F)c1ccc(OCC(F)F)cc1	ZINC000170617700	569247799	/nfs/dbraw/zinc/24/77/99/569247799.db2.gz	GQTRFYWGZHHGTA-UHFFFAOYSA-N	-1	0	413.320	3.736	50	10		HHCARM
Nc1c(Cl)cc(S(=O)(=O)Nc2c(F)c(F)c([O-])c(F)c2F)cc1Cl	ZINC000089762073	569263677	/nfs/dbraw/zinc/26/36/77/569263677.db2.gz	LURCOPFCJLACKT-UHFFFAOYSA-N	-1	0	405.156	3.638	50	10		HHCARM
O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	ZINC000037390744	569295783	/nfs/dbraw/zinc/29/57/83/569295783.db2.gz	DKGVKDUTYYCHPA-RIYZIHGNSA-N	-1	0	403.397	3.614	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)c(OC)c1	ZINC000008753578	571112636	/nfs/dbraw/zinc/11/26/36/571112636.db2.gz	CTSOEWGWMBLTBK-APSNUPSMSA-N	-1	0	417.464	3.513	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C2=O)cc1	ZINC000008974602	571197505	/nfs/dbraw/zinc/19/75/05/571197505.db2.gz	AUCGSNXLMGGLTP-ZWUNQBBJSA-N	-1	0	419.485	3.683	50	10		HHCARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1	ZINC000009002284	571209785	/nfs/dbraw/zinc/20/97/85/571209785.db2.gz	GHNFTBVQZOGGEY-UHFFFAOYSA-N	-1	0	401.465	3.567	50	10		HHCARM
O=C(NCCCOc1ccc(Cl)cc1Cl)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000069352120	571222998	/nfs/dbraw/zinc/22/29/98/571222998.db2.gz	GBBRZGIIIWIUND-UHFFFAOYSA-N	-1	0	414.245	3.876	50	10		HHCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000001175753	960461452	/nfs/dbraw/zinc/46/14/52/960461452.db2.gz	YJEAPFWLHGWJPO-ATVHPVEESA-N	-1	0	409.398	3.649	50	10		HHCARM
CC(C)OC(=O)c1oc2c(O)c([O-])ccc2c(=O)c1-c1cnn(-c2ccccc2)c1	ZINC000006238143	960872636	/nfs/dbraw/zinc/87/26/36/960872636.db2.gz	LNGBREZUXRVXSU-UHFFFAOYSA-N	-1	0	406.394	3.622	50	10		HHCARM
COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c2ccccc12	ZINC000022107461	963593006	/nfs/dbraw/zinc/59/30/06/963593006.db2.gz	GODCVMGVYPKGMP-UYRXBGFRSA-N	-1	0	402.475	3.988	50	10		HHCARM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)c1	ZINC000001131229	132238407	/nfs/dbraw/zinc/23/84/07/132238407.db2.gz	XVOKOBVFMBKZKJ-LDADJPATSA-N	-1	0	423.513	3.874	50	10		HHCARM
Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000001151302	132239330	/nfs/dbraw/zinc/23/93/30/132239330.db2.gz	FGPYPUOFRIJDHI-CPNJWEJPSA-N	-1	0	409.873	3.915	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1	ZINC000001173985	132240239	/nfs/dbraw/zinc/24/02/39/132240239.db2.gz	BZZRYPZQNODVPD-QGOAFFKASA-N	-1	0	407.882	3.962	50	10		HHCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1O	ZINC000001174870	132240262	/nfs/dbraw/zinc/24/02/62/132240262.db2.gz	VZOLOJKYZHNPFU-IZZDOVSWSA-N	-1	0	421.236	3.682	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1	ZINC000001200567	132241944	/nfs/dbraw/zinc/24/19/44/132241944.db2.gz	MQGBSWAVCIXXJY-QGOAFFKASA-N	-1	0	402.366	3.892	50	10		HHCARM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000001206772	132242326	/nfs/dbraw/zinc/24/23/26/132242326.db2.gz	DTTGMUAPJRVDKD-LFIBNONCSA-N	-1	0	415.243	3.514	50	10		HHCARM
CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)c1	ZINC000002305544	132252194	/nfs/dbraw/zinc/25/21/94/132252194.db2.gz	GBDRWLHKRDWPKI-OQLLNIDSSA-N	-1	0	424.409	3.719	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)o1	ZINC000002915687	132259446	/nfs/dbraw/zinc/25/94/46/132259446.db2.gz	RYXDAFVLFWSHAN-YRNVUSSQSA-N	-1	0	411.664	3.527	50	10		HHCARM
Cc1cccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)c1	ZINC000004743338	132287029	/nfs/dbraw/zinc/28/70/29/132287029.db2.gz	HLZGLWHZUBSLRK-GDNBJRDFSA-N	-1	0	401.285	3.589	50	10		HHCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)Cc3ccccc3-4)C2=O)c1	ZINC000004824966	132289817	/nfs/dbraw/zinc/28/98/17/132289817.db2.gz	CQCOFKICZPMFBA-UUYOSTAYSA-N	-1	0	410.429	3.933	50	10		HHCARM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1	ZINC000005023160	132298482	/nfs/dbraw/zinc/29/84/82/132298482.db2.gz	YDPNDYAFPIKCKK-XNTDXEJSSA-N	-1	0	408.414	3.784	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c(C)c1	ZINC000005076579	132300493	/nfs/dbraw/zinc/30/04/93/132300493.db2.gz	IMZWHNUEFCLYNE-XNTDXEJSSA-N	-1	0	408.414	3.784	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S	ZINC000001063042	557165042	/nfs/dbraw/zinc/16/50/42/557165042.db2.gz	KMCNDFPEDGPVEJ-CXUHLZMHSA-N	-1	0	403.456	3.691	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@H]2CC(Cl)=CC[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000001175224	557227185	/nfs/dbraw/zinc/22/71/85/557227185.db2.gz	PYWGQTDTTLPVSD-AAEUAGOBSA-N	-1	0	411.907	3.976	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000001899458	557295225	/nfs/dbraw/zinc/29/52/25/557295225.db2.gz	CBPOKMCVXUYVHW-XNTDXEJSSA-N	-1	0	418.452	3.921	50	10		HHCARM
CCCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000002470709	557351056	/nfs/dbraw/zinc/35/10/56/557351056.db2.gz	QWMIXYRWNTWEND-IBGZPJMESA-N	-1	0	409.398	3.583	50	10		HHCARM
Nc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1	ZINC000002583324	557358373	/nfs/dbraw/zinc/35/83/73/557358373.db2.gz	VALNSJHHRPSUDO-JOCHJYFZSA-N	-1	0	402.450	3.803	50	10		HHCARM
COc1ccc(OC)c(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2cccs2)c1	ZINC000004258669	557532736	/nfs/dbraw/zinc/53/27/36/557532736.db2.gz	SKJNFSFQLFOUKF-UHFFFAOYSA-N	-1	0	414.483	3.890	50	10		HHCARM
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc([O-])c(Sc3nc[nH]n3)c2)c1C	ZINC000006269274	557696883	/nfs/dbraw/zinc/69/68/83/557696883.db2.gz	IIYHDWHRDGAVLO-UHFFFAOYSA-N	-1	0	404.517	3.696	50	10		HHCARM
CCOC(=O)c1c(C)n[nH]c1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1	ZINC000008426456	557787914	/nfs/dbraw/zinc/78/79/14/557787914.db2.gz	ZYLRHQICOVSFPF-RVYVDECRSA-N	-1	0	416.441	3.798	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c(C(=O)[O-])c1OC	ZINC000012436519	558409117	/nfs/dbraw/zinc/40/91/17/558409117.db2.gz	ZKXRNBPHPRDTOP-ZROIWOOFSA-N	-1	0	419.455	3.947	50	10		HHCARM
COc1cccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1OC	ZINC000013344056	558530302	/nfs/dbraw/zinc/53/03/02/558530302.db2.gz	QYWQXPOZJRDZBW-GDNBJRDFSA-N	-1	0	401.465	3.808	50	10		HHCARM
Cc1ccc(OCCOc2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)cc2)cc1	ZINC000013810189	558595433	/nfs/dbraw/zinc/59/54/33/558595433.db2.gz	ROEXFZAJBJTTKN-QJOMJCCJSA-N	-1	0	414.461	3.914	50	10		HHCARM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OCC)c1	ZINC000014010729	558613309	/nfs/dbraw/zinc/61/33/09/558613309.db2.gz	QMIDVGNFCIFLTB-GZTJUZNOSA-N	-1	0	414.845	3.804	50	10		HHCARM
CCCN(CCCS(=O)(=O)[O-])c1ccc(N=Nc2ccc([N+](=O)[O-])cn2)c(O)c1	ZINC000015020105	558703275	/nfs/dbraw/zinc/70/32/75/558703275.db2.gz	DSOBYSHRIJISFE-FMQUCBEESA-N	-1	0	423.451	3.605	50	10		HHCARM
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/N2CCOCC2)SC1=S	ZINC000030819378	558738859	/nfs/dbraw/zinc/73/88/59/558738859.db2.gz	UQOOPEQFYSYDPK-NXVVXOECSA-N	-1	0	414.593	3.616	50	10		HHCARM
COc1cccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)c1OCc1ccccc1	ZINC000016225266	558779436	/nfs/dbraw/zinc/77/94/36/558779436.db2.gz	OULODOYHHOOZHS-ZHZULCJRSA-N	-1	0	418.424	3.875	50	10		HHCARM
O=C(NC=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O)Nc1ccc(F)cc1	ZINC000016398886	558789712	/nfs/dbraw/zinc/78/97/12/558789712.db2.gz	HIKGNZOMKODKQO-ZROIWOOFSA-N	-1	0	402.769	3.608	50	10		HHCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000100044290	559115994	/nfs/dbraw/zinc/11/59/94/559115994.db2.gz	SMHDHVQBAHSFAD-ZROIWOOFSA-N	-1	0	401.766	3.875	50	10		HHCARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	ZINC000004818885	559118191	/nfs/dbraw/zinc/11/81/91/559118191.db2.gz	HDUKZLOZLRBSPW-PDGQHHTCSA-N	-1	0	408.801	3.500	50	10		HHCARM
CCCc1nnc(N=Cc2c(C)[n-]n(-c3ccc(Br)cc3)c2=O)s1	ZINC000100163539	559167451	/nfs/dbraw/zinc/16/74/51/559167451.db2.gz	VSFCCPCRCHNUQT-UKTHLTGXSA-N	-1	0	406.309	3.972	50	10		HHCARM
CCOc1c(/C=C2/C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cccc1OC	ZINC000033782819	559244956	/nfs/dbraw/zinc/24/49/56/559244956.db2.gz	VYRFGNSFUQKDDO-LCYFTJDESA-N	-1	0	407.253	3.862	50	10		HHCARM
COc1ccc(-c2coc3c(C[N@@H+]4CCC[C@H](C(=O)[O-])C4)c([O-])cc(C)c3c2=O)cc1	ZINC000094993353	568593906	/nfs/dbraw/zinc/59/39/06/568593906.db2.gz	MSNHTKCSVDVKBB-INIZCTEOSA-N	-1	0	423.465	3.779	50	10		HHCARM
COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)c(OC)c1OC	ZINC000012390495	568694967	/nfs/dbraw/zinc/69/49/67/568694967.db2.gz	USXPAYCQVJBPTA-AWEZNQCLSA-N	-1	0	424.453	3.580	50	10		HHCARM
CCOc1cc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)ccc1O	ZINC000001243087	568908304	/nfs/dbraw/zinc/90/83/04/568908304.db2.gz	FESYXZABNCGZDN-ABPVARSCSA-N	-1	0	415.492	3.818	50	10		HHCARM
COc1ccc(C2(Nc3ccc(CC(=O)[O-])cc3)C(=O)c3ccccc3C2=O)cc1	ZINC000006902053	569178059	/nfs/dbraw/zinc/17/80/59/569178059.db2.gz	GCYNQBOLWKDWAE-UHFFFAOYSA-N	-1	0	401.418	3.709	50	10		HHCARM
CCOc1cc([C@H](NC(=O)CC)c2cc([N+](=O)[O-])c3cccnc3c2[O-])ccc1O	ZINC000027571739	569374729	/nfs/dbraw/zinc/37/47/29/569374729.db2.gz	XRWUWTFEHWZZLZ-IBGZPJMESA-N	-1	0	411.414	3.569	50	10		HHCARM
CCOc1cc([C@@H](NC(=O)CC)c2cc([N+](=O)[O-])c3cccnc3c2[O-])ccc1O	ZINC000027571736	569374736	/nfs/dbraw/zinc/37/47/36/569374736.db2.gz	XRWUWTFEHWZZLZ-LJQANCHMSA-N	-1	0	411.414	3.569	50	10		HHCARM
CCCn1cc(C=C2C(=O)[N-]C(=O)N(CCc3ccccc3)C2=O)c2ccccc21	ZINC000002387740	569392350	/nfs/dbraw/zinc/39/23/50/569392350.db2.gz	YFOJUOWYNAQMFT-HMMYKYKNSA-N	-1	0	401.466	3.960	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1	ZINC000001163755	132239780	/nfs/dbraw/zinc/23/97/80/132239780.db2.gz	VDCSGRWOVZGDEX-LDADJPATSA-N	-1	0	409.417	3.587	50	10		HHCARM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)C(=O)[N-]C1=S	ZINC000001173783	132240182	/nfs/dbraw/zinc/24/01/82/132240182.db2.gz	LDKKWOYFTNNKKR-GXDHUFHOSA-N	-1	0	400.887	3.742	50	10		HHCARM
CC(C)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21	ZINC000002386382	132253901	/nfs/dbraw/zinc/25/39/01/132253901.db2.gz	UKKYUBVJCMZFKK-RQZCQDPDSA-N	-1	0	417.421	3.617	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C\c3cc(Br)cs3)C(=O)[N-]C2=S)c(C)c1	ZINC000009262625	132337774	/nfs/dbraw/zinc/33/77/74/132337774.db2.gz	LTHAYWHNTOVDFB-QPEQYQDCSA-N	-1	0	421.341	3.959	50	10		HHCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)c1	ZINC000009892470	132343917	/nfs/dbraw/zinc/34/39/17/132343917.db2.gz	SRGLCJHKCFUSND-LZYBPNLTSA-N	-1	0	424.254	3.905	50	10		HHCARM
COc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1Br	ZINC000040938362	523413287	/nfs/dbraw/zinc/41/32/87/523413287.db2.gz	DRRWXRZEFRXGBB-XYOKQWHBSA-N	-1	0	416.318	3.524	50	10		HHCARM
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)c1	ZINC000032707951	524801434	/nfs/dbraw/zinc/80/14/34/524801434.db2.gz	VXWSJVBUVZMLEU-LZYBPNLTSA-N	-1	0	417.464	3.513	50	10		HHCARM
CCCCN1CCc2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccc(F)cc4)C3=O)ccc21	ZINC000009424434	535275543	/nfs/dbraw/zinc/27/55/43/535275543.db2.gz	HBOLJQXOAWWLMS-XMHGGMMESA-N	-1	0	423.513	3.820	50	10		HHCARM
COc1ccc(N2C(=O)C(=Cc3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000001240977	536657732	/nfs/dbraw/zinc/65/77/32/536657732.db2.gz	WFHKXEQHWBWHMD-XMHGGMMESA-N	-1	0	407.495	3.967	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C\c3cccc(OCC(=O)[O-])c3)SC2=S)cc1	ZINC000004512538	557562265	/nfs/dbraw/zinc/56/22/65/557562265.db2.gz	IQRWOBLGGZLUPK-MHWRWJLKSA-N	-1	0	401.465	3.564	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccccc1Cl	ZINC000013552381	558539396	/nfs/dbraw/zinc/53/93/96/558539396.db2.gz	YKDNWGLLKMXOIR-LDADJPATSA-N	-1	0	423.831	3.995	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1Cc1ccc(Cl)cc1	ZINC000013570603	558542037	/nfs/dbraw/zinc/54/20/37/558542037.db2.gz	BFSUWRJHRNPRPM-XDHOZWIPSA-N	-1	0	423.831	3.995	50	10		HHCARM
CN(C)c1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1	ZINC000013616027	558549470	/nfs/dbraw/zinc/54/94/70/558549470.db2.gz	VQXXDNHRQJJNBS-XIDKLXSXSA-N	-1	0	412.536	3.650	50	10		HHCARM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S	ZINC000013691055	558572982	/nfs/dbraw/zinc/57/29/82/558572982.db2.gz	MBEYOHPLTVUSAP-ABPVARSCSA-N	-1	0	407.476	3.657	50	10		HHCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC	ZINC000014011112	558613333	/nfs/dbraw/zinc/61/33/33/558613333.db2.gz	QYUDBINKJVWMOI-NVNXTCNLSA-N	-1	0	414.845	3.640	50	10		HHCARM
COc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)c(OC)c1	ZINC000026771445	558665000	/nfs/dbraw/zinc/66/50/00/558665000.db2.gz	QLPGPHPPKQZNJY-BRVCPTFNSA-N	-1	0	415.492	3.731	50	10		HHCARM
O=C1/C(=C\c2cccc(Oc3ccccc3)c2)SC(=S)N1CCS(=O)(=O)[O-]	ZINC000027017051	558668342	/nfs/dbraw/zinc/66/83/42/558668342.db2.gz	OKFVDAYJKOBFBY-FOWTUZBSSA-N	-1	0	421.521	3.568	50	10		HHCARM
COc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1Cl	ZINC000015012525	558700944	/nfs/dbraw/zinc/70/09/44/558700944.db2.gz	UAYMNHQVCJXUBB-QPEQYQDCSA-N	-1	0	405.237	3.977	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3[O-])SC2=S)cc1	ZINC000015685398	558748933	/nfs/dbraw/zinc/74/89/33/558748933.db2.gz	HKZMHQRCZQGVRB-NVNXTCNLSA-N	-1	0	418.452	3.723	50	10		HHCARM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)o1	ZINC000015724157	558750110	/nfs/dbraw/zinc/75/01/10/558750110.db2.gz	LSQLVQUZNILFGC-WQRHYEAKSA-N	-1	0	407.357	3.764	50	10		HHCARM
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc1	ZINC000015799904	558753721	/nfs/dbraw/zinc/75/37/21/558753721.db2.gz	ACEILIVIKFZEJM-YBEGLDIGSA-N	-1	0	412.492	3.533	50	10		HHCARM
Cc1[n-]n(-c2ccc3nncn3n2)c(=O)c1C=Nc1cc(C(F)(F)F)ccc1Cl	ZINC000101641015	560797622	/nfs/dbraw/zinc/79/76/22/560797622.db2.gz	HAVOHAJSBAJCQD-YRNVUSSQSA-N	-1	0	421.770	3.515	50	10		HHCARM
COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)cc1OC	ZINC000012296804	568462428	/nfs/dbraw/zinc/46/24/28/568462428.db2.gz	NHDFXFXYSOHDOB-MRXNPFEDSA-N	-1	0	420.465	3.752	50	10	biogenic	HHCARM
O=C([O-])c1ccccc1NC(=O)c1c2ccccn2c2c1C(=O)c1ccccc1C2=O	ZINC000000810835	568491560	/nfs/dbraw/zinc/49/15/60/568491560.db2.gz	WDNOQKOZUNGRHG-UHFFFAOYSA-N	-1	0	410.385	3.665	50	10	biogenic	HHCARM
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)C(=O)[N-]C2=S)cc1	ZINC000220968137	568509327	/nfs/dbraw/zinc/50/93/27/568509327.db2.gz	LNENSOMXLXRKCT-XDHOZWIPSA-N	-1	0	409.511	3.670	50	10		HHCARM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1cc2ccccc2[nH]c1=O	ZINC000012412711	568715775	/nfs/dbraw/zinc/71/57/75/568715775.db2.gz	QOMPWXBJYIGNBR-DHDCSXOGSA-N	-1	0	407.813	3.686	50	10		HHCARM
O=C(Oc1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1)c1cccs1	ZINC000001131638	568773658	/nfs/dbraw/zinc/77/36/58/568773658.db2.gz	BUOJCHRGKHNYHU-ATVHPVEESA-N	-1	0	408.410	3.568	50	10		HHCARM
COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc2c1OCCO2	ZINC000217877750	568917286	/nfs/dbraw/zinc/91/72/86/568917286.db2.gz	XWLHPGBROGRYKU-UHFFFAOYSA-N	-1	0	405.366	3.715	50	10	biogenic	HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1	ZINC000007991591	568967207	/nfs/dbraw/zinc/96/72/07/568967207.db2.gz	RFMOXJHOOXIYIA-SILNSSARSA-N	-1	0	410.518	3.798	50	10		HHCARM
COc1cc(/C=C2/SC(=S)N([C@H](CC(=O)[O-])c3ccccc3)C2=O)ccc1O	ZINC000035624318	569046642	/nfs/dbraw/zinc/04/66/42/569046642.db2.gz	RIRGBKAZVBXSCD-NGWPFTMJSA-N	-1	0	415.492	3.818	50	10		HHCARM
COc1ccc2c(c1)c(/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O)c(C)n2C	ZINC000006660542	569083429	/nfs/dbraw/zinc/08/34/29/569083429.db2.gz	VKJNXPLFHOYUHK-YBEGLDIGSA-N	-1	0	404.513	3.561	50	10		HHCARM
Cc1ccc(OCCSc2nc(-c3ccco3)nc3cc(=O)[n-]n32)cc1Cl	ZINC000006915833	569181088	/nfs/dbraw/zinc/18/10/88/569181088.db2.gz	CPDHCPOXCRHOFL-UHFFFAOYSA-N	-1	0	402.863	3.811	50	10		HHCARM
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCC(=O)[O-]	ZINC000013915158	569258178	/nfs/dbraw/zinc/25/81/78/569258178.db2.gz	DQYUYMBPUDGCMC-YBEGLDIGSA-N	-1	0	415.243	3.719	50	10		HHCARM
COc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccc(C)c(Cl)c2)C1=O	ZINC000027501188	569326086	/nfs/dbraw/zinc/32/60/86/569326086.db2.gz	FOQWXLKBZISEHM-ZSOIEALJSA-N	-1	0	421.678	3.881	50	10		HHCARM
COc1ccc2nc(/C=C3/SC(=S)N([C@H](C(=O)[O-])C(C)C)C3=O)ccc2c1	ZINC000009423630	571257511	/nfs/dbraw/zinc/25/75/11/571257511.db2.gz	SXSLAJFRSAEVDU-LRQZKABGSA-N	-1	0	402.497	3.554	50	10		HHCARM
CCc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(CNC(C)=O)cc3)n2)cc1	ZINC000028249171	571309701	/nfs/dbraw/zinc/30/97/01/571309701.db2.gz	QIAJVINFWQJVGW-UHFFFAOYSA-N	-1	0	415.540	3.809	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1	ZINC000000631928	132229568	/nfs/dbraw/zinc/22/95/68/132229568.db2.gz	RVOBFXSTOJJNNI-FYWRMAATSA-N	-1	0	413.474	3.630	50	10		HHCARM
Cc1cc(N2CCCCC2)ccc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O	ZINC000001151032	132239199	/nfs/dbraw/zinc/23/91/99/132239199.db2.gz	WLVUSYMPOUIQPU-ZHZULCJRSA-N	-1	0	423.513	3.956	50	10		HHCARM
CCOc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1	ZINC000001172577	132240278	/nfs/dbraw/zinc/24/02/78/132240278.db2.gz	BXLOEHKZAMRAEU-LFIBNONCSA-N	-1	0	415.243	3.514	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)s3)C2=O)cc1C	ZINC000001186434	132241197	/nfs/dbraw/zinc/24/11/97/132241197.db2.gz	YBKSJGMNURPRDN-MDWZMJQESA-N	-1	0	405.273	3.794	50	10		HHCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)c(OC)c(Cl)c3)C2=O)cc1	ZINC000001198421	132241855	/nfs/dbraw/zinc/24/18/55/132241855.db2.gz	WGGXUYXGXVKTDA-NTUHNPAUSA-N	-1	0	421.236	3.677	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)s1	ZINC000001213847	132242726	/nfs/dbraw/zinc/24/27/26/132242726.db2.gz	UWXUHQLNUBWDLF-YRNVUSSQSA-N	-1	0	411.664	3.830	50	10		HHCARM
COc1ccc(N2C(=O)C(=Cc3cn(C(C)=O)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000000712441	536659847	/nfs/dbraw/zinc/65/98/47/536659847.db2.gz	MZCBTUKHBLHMNI-WQRHYEAKSA-N	-1	0	419.462	3.982	50	10	biogenic	HHCARM
Cn1c(=O)cc2c3c1ccc([N-]S(=O)(=O)c1ccccc1)c3C(=O)c1ccccc1-2	ZINC000001078130	557174563	/nfs/dbraw/zinc/17/45/63/557174563.db2.gz	WJSRFFNGNHNJLM-UHFFFAOYSA-N	-1	0	416.458	3.551	50	10		HHCARM
O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1	ZINC000001232280	557249662	/nfs/dbraw/zinc/24/96/62/557249662.db2.gz	LJDHTCKGKNAOGJ-VBKFSLOCSA-N	-1	0	412.492	3.615	50	10		HHCARM
Nc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1	ZINC000002560905	557356527	/nfs/dbraw/zinc/35/65/27/557356527.db2.gz	VALNSJHHRPSUDO-QFIPXVFZSA-N	-1	0	402.450	3.803	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc3c(c2)CCN3Cc2ccccc2)SC1=S	ZINC000003018451	557442186	/nfs/dbraw/zinc/44/21/86/557442186.db2.gz	UXTXMXDCQKQCOF-WOJGMQOQSA-N	-1	0	410.520	3.535	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000004201041	557528396	/nfs/dbraw/zinc/52/83/96/557528396.db2.gz	QERIVNSKODKBSH-KOZAUXTDSA-N	-1	0	403.500	3.655	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccccc1Cl	ZINC000004704474	557584537	/nfs/dbraw/zinc/58/45/37/557584537.db2.gz	BYUGXEUOQQOPJR-UKTHLTGXSA-N	-1	0	405.635	3.769	50	10		HHCARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)c3ccccc32)ccc1O	ZINC000011635080	558264803	/nfs/dbraw/zinc/26/48/03/558264803.db2.gz	XYULMHHLXVBQMA-UHFFFAOYSA-N	-1	0	422.256	3.807	50	10		HHCARM
CCCOc1ccccc1/C=C1\C(=O)[N-]N(c2cccc(Br)c2)C1=O	ZINC000013600979	558547545	/nfs/dbraw/zinc/54/75/45/558547545.db2.gz	WDTHFHASNKRDQW-LFIBNONCSA-N	-1	0	401.260	3.699	50	10		HHCARM
C[C@@H](C(=O)Nc1ccccc1C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000028296925	558699002	/nfs/dbraw/zinc/69/90/02/558699002.db2.gz	IAUYHGGROVNFRM-RSYJBZMQSA-N	-1	0	418.521	3.675	50	10		HHCARM
COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1[O-]	ZINC000016195016	558777846	/nfs/dbraw/zinc/77/78/46/558777846.db2.gz	XCNGIKAKVHVOMZ-NVNXTCNLSA-N	-1	0	402.453	3.710	50	10		HHCARM
CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1C3CCC(CC3)[C@H]1C(=O)[O-])CCC2	ZINC000017083195	558815592	/nfs/dbraw/zinc/81/55/92/558815592.db2.gz	WQMBSOYIDGEVGC-DCNYZXSGSA-N	-1	0	405.516	3.878	50	10		HHCARM
Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000004679402	558890461	/nfs/dbraw/zinc/89/04/61/558890461.db2.gz	WBRNYUCRCLWKMP-NDENLUEZSA-N	-1	0	415.474	3.563	50	10		HHCARM
COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(C)cc3)cs2)cc1NC(C)=O	ZINC000011615555	559114684	/nfs/dbraw/zinc/11/46/84/559114684.db2.gz	JESRELKNNFQZMJ-UHFFFAOYSA-N	-1	0	417.512	3.886	50	10		HHCARM
Cc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)sc2c1	ZINC000097944369	559124630	/nfs/dbraw/zinc/12/46/30/559124630.db2.gz	MANJILYPEAEPPL-LCYFTJDESA-N	-1	0	412.858	3.837	50	10		HHCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(N(CC)CC)cc2)C1=O	ZINC000100799095	559268279	/nfs/dbraw/zinc/26/82/79/559268279.db2.gz	MYOZOPXTSIPVMP-OBGWFSINSA-N	-1	0	422.485	3.510	50	10		HHCARM
COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1OC	ZINC000005173502	559288275	/nfs/dbraw/zinc/28/82/75/559288275.db2.gz	TXBYVGZQPNRXOD-ZSOIEALJSA-N	-1	0	400.818	3.862	50	10		HHCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cnn2cccnc12	ZINC000095477521	568631331	/nfs/dbraw/zinc/63/13/31/568631331.db2.gz	FHZGTYSNDMQPIG-UHFFFAOYSA-N	-1	0	416.397	3.738	50	10		HHCARM
COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C1=O	ZINC000096254762	568712073	/nfs/dbraw/zinc/71/20/73/568712073.db2.gz	MUEJTGQSLLHXLF-XYOKQWHBSA-N	-1	0	407.278	3.833	50	10		HHCARM
CCCCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000002470736	568773609	/nfs/dbraw/zinc/77/36/09/568773609.db2.gz	CMNHQEXGOSEKLW-HXUWFJFHSA-N	-1	0	423.425	3.973	50	10		HHCARM
COc1cc(C=C2SC(Nc3ccccc3Cl)=NC2=O)ccc1OCC(=O)[O-]	ZINC000004173440	568948343	/nfs/dbraw/zinc/94/83/43/568948343.db2.gz	SMBOJKBAOBQNRG-SXGWCWSVSA-N	-1	0	418.858	3.894	50	10		HHCARM
CC[C@@H](C)[C@@H]([NH2+]Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C(=O)[O-]	ZINC000035686309	569050687	/nfs/dbraw/zinc/05/06/87/569050687.db2.gz	CNAPTTTXPWTFMW-SPLOXXLWSA-N	-1	0	409.482	3.987	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12	ZINC000016488230	569056974	/nfs/dbraw/zinc/05/69/74/569056974.db2.gz	WEIRJAJBFSWMKW-OVCLIPMQSA-N	-1	0	410.227	3.597	50	10		HHCARM
CCc1ccccc1N1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)C(=O)[N-]C1=S	ZINC000006574304	569066672	/nfs/dbraw/zinc/06/66/72/569066672.db2.gz	LDKKWOYFTNNKKR-UVTDQMKNSA-N	-1	0	400.887	3.742	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(OCCOc2ccccc2)c1	ZINC000002365150	569388062	/nfs/dbraw/zinc/38/80/62/569388062.db2.gz	VKQKIHBNYJJKRS-OQKWZONESA-N	-1	0	400.434	3.606	50	10		HHCARM
CCn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21	ZINC000002399374	569394750	/nfs/dbraw/zinc/39/47/50/569394750.db2.gz	GIIMMICXYDHJDR-XDHOZWIPSA-N	-1	0	403.438	3.536	50	10		HHCARM
Cc1cc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc([N+](=O)[O-])c1C	ZINC000009310577	571247140	/nfs/dbraw/zinc/24/71/40/571247140.db2.gz	CIOZPMGWKMCMSE-VIZOYTHASA-N	-1	0	418.452	3.757	50	10		HHCARM
COc1ccc2c(c1)c(/C=C1\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C1=O)c(C)n2C	ZINC000009422887	571257483	/nfs/dbraw/zinc/25/74/83/571257483.db2.gz	BHQZUWYYWICPGE-VHEJECIDSA-N	-1	0	418.540	3.806	50	10		HHCARM
COc1ccc2c(/C=C3/SC(=S)N([C@H](CCSC)C(=O)[O-])C3=O)c[nH]c2c1	ZINC000009531355	571266833	/nfs/dbraw/zinc/26/68/33/571266833.db2.gz	QILMKFOZODAQNJ-LSRDKYIXSA-N	-1	0	422.553	3.584	50	10		HHCARM
COc1ccc2c(/C=C3/SC(=S)N([C@@H](CCSC)C(=O)[O-])C3=O)c[nH]c2c1	ZINC000009531354	571266958	/nfs/dbraw/zinc/26/69/58/571266958.db2.gz	QILMKFOZODAQNJ-UUINEXAVSA-N	-1	0	422.553	3.584	50	10		HHCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)-c3ccccc3C4)C2=O)c1	ZINC000004834219	960617442	/nfs/dbraw/zinc/61/74/42/960617442.db2.gz	GQLGXKIGPUZIGG-UUYOSTAYSA-N	-1	0	410.429	3.933	50	10		HHCARM
COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O	ZINC000004991423	960636246	/nfs/dbraw/zinc/63/62/46/960636246.db2.gz	RXURZYIPEKGCTO-RVDMUPIBSA-N	-1	0	405.435	3.626	50	10		HHCARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(OC)c4ccccc34)C2=O)cc1	ZINC000005043842	960644626	/nfs/dbraw/zinc/64/46/26/960644626.db2.gz	BWDDGUMIYSADHC-DEDYPNTBSA-N	-1	0	416.433	3.519	50	10		HHCARM
C[C@@H](NC=C1C(=O)[N-]C(=S)N(c2cccc3ccccc32)C1=O)c1ccccc1	ZINC000002372559	132253409	/nfs/dbraw/zinc/25/34/09/132253409.db2.gz	XVUWYJJVLUXNSU-ATPAHOSSSA-N	-1	0	401.491	3.822	50	10		HHCARM
CCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)c2ccccc21	ZINC000002372476	132253424	/nfs/dbraw/zinc/25/34/24/132253424.db2.gz	CHEMOPOZBWYKFE-CPNJWEJPSA-N	-1	0	403.438	3.931	50	10		HHCARM
COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000002968722	132261036	/nfs/dbraw/zinc/26/10/36/132261036.db2.gz	SCVXARVXEVFSGK-RIYZIHGNSA-N	-1	0	401.762	3.764	50	10		HHCARM
Cc1cc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)ccc1Br	ZINC000005074073	132300183	/nfs/dbraw/zinc/30/01/83/132300183.db2.gz	SKPAQOBNVYJAIR-FMDPHQNASA-N	-1	0	401.216	3.573	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1	ZINC000005092211	132300502	/nfs/dbraw/zinc/30/05/02/132300502.db2.gz	VTKBTOCQALCKPU-LDADJPATSA-N	-1	0	409.804	3.936	50	10		HHCARM
Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccc(F)cc2)C(=O)[N-]C1=S	ZINC000006791217	132316577	/nfs/dbraw/zinc/31/65/77/132316577.db2.gz	GBJGJANJUQTIGA-ZROIWOOFSA-N	-1	0	419.275	3.728	50	10		HHCARM
CC(=O)Nc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ccc1O	ZINC000032815311	519706972	/nfs/dbraw/zinc/70/69/72/519706972.db2.gz	CYNXSWWNIXUPGK-UHFFFAOYSA-N	-1	0	408.785	3.824	50	10		HHCARM
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2ccco2)nn1-c1ccccc1	ZINC000032865803	526643159	/nfs/dbraw/zinc/64/31/59/526643159.db2.gz	QRCLJBWEPMXZKI-UHFFFAOYSA-N	-1	0	404.382	3.676	50	10		HHCARM
CCOc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O	ZINC000001092458	535440602	/nfs/dbraw/zinc/44/06/02/535440602.db2.gz	ANGUDMWXEAAKLO-XSFVSMFZSA-N	-1	0	416.433	3.914	50	10		HHCARM
CN(C)c1ccc(/C=C2/SC(=S)N([C@@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1	ZINC000001269254	557253101	/nfs/dbraw/zinc/25/31/01/557253101.db2.gz	VQXXDNHRQJJNBS-NAVNFMRLSA-N	-1	0	412.536	3.650	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000004611979	557572252	/nfs/dbraw/zinc/57/22/52/557572252.db2.gz	LWEQYPUQHXGNHP-KOZAUXTDSA-N	-1	0	403.500	3.655	50	10		HHCARM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3cccc(Br)c3)C2=O)cc1	ZINC000013600976	558547580	/nfs/dbraw/zinc/54/75/80/558547580.db2.gz	XFYAJGSVARDVMI-PDGQHHTCSA-N	-1	0	414.303	3.757	50	10		HHCARM
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S	ZINC000013691056	558573060	/nfs/dbraw/zinc/57/30/60/558573060.db2.gz	MBEYOHPLTVUSAP-YTBHAWNYSA-N	-1	0	407.476	3.657	50	10		HHCARM
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000013880899	558599489	/nfs/dbraw/zinc/59/94/89/558599489.db2.gz	XOFMBPFRUANQLW-UEMWTREESA-N	-1	0	415.492	3.953	50	10		HHCARM
CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1C3CCC(CC3)[C@@H]1C(=O)[O-])CCC2	ZINC000017083194	558815572	/nfs/dbraw/zinc/81/55/72/558815572.db2.gz	WQMBSOYIDGEVGC-INCPQMAJSA-N	-1	0	405.516	3.878	50	10		HHCARM
COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC	ZINC000017145590	558823853	/nfs/dbraw/zinc/82/38/53/558823853.db2.gz	XWKMGRCWVYKKKK-DHDCSXOGSA-N	-1	0	412.467	3.692	50	10		HHCARM
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3C)o2)C1=O	ZINC000004600073	558835443	/nfs/dbraw/zinc/83/54/43/558835443.db2.gz	WAHMXQPZUFFUBT-CXUHLZMHSA-N	-1	0	415.423	3.553	50	10		HHCARM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S	ZINC000008993360	560640692	/nfs/dbraw/zinc/64/06/92/560640692.db2.gz	QVVJPHMEWMDWLW-MFYHJKBNSA-N	-1	0	404.538	3.642	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O	ZINC000022239196	568477348	/nfs/dbraw/zinc/47/73/48/568477348.db2.gz	DISXPUINSCGKJX-KPKJPENVSA-N	-1	0	421.236	3.764	50	10		HHCARM
COc1ccc(OCc2ccccc2F)c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000001121928	568772935	/nfs/dbraw/zinc/77/29/35/568772935.db2.gz	WYUFXCNGUPOFCP-XSFVSMFZSA-N	-1	0	418.424	3.875	50	10		HHCARM
O=C1c2ccccc2N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N1C[C@@H]1CCCO1	ZINC000012555010	568855212	/nfs/dbraw/zinc/85/52/12/568855212.db2.gz	UXVDBZSCNQDGCJ-KPZWWZAWSA-N	-1	0	403.822	3.699	50	10		HHCARM
O=C([O-])c1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S	ZINC000001232281	568880587	/nfs/dbraw/zinc/88/05/87/568880587.db2.gz	XCFQAKOEBFYOFV-FOWTUZBSSA-N	-1	0	412.492	3.615	50	10		HHCARM
COc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc12	ZINC000001247770	568908621	/nfs/dbraw/zinc/90/86/21/568908621.db2.gz	LSCIVGJMWOROAU-XDHOZWIPSA-N	-1	0	404.397	3.854	50	10		HHCARM
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000003768534	568926179	/nfs/dbraw/zinc/92/61/79/568926179.db2.gz	RMYHYVNLPKYCTD-GZTJUZNOSA-N	-1	0	415.492	3.955	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	ZINC000002533179	569009626	/nfs/dbraw/zinc/00/96/26/569009626.db2.gz	QFQDHIXYDLKLMU-BOPFTXTBSA-N	-1	0	421.503	3.825	50	10		HHCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(O)c(O)c1	ZINC000085879857	569009862	/nfs/dbraw/zinc/00/98/62/569009862.db2.gz	HWWQHAXBIVFEMJ-UHFFFAOYSA-N	-1	0	407.382	3.694	50	10	biogenic	HHCARM
Cc1cc(Br)c([O-])c([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1	ZINC000001756434	569052039	/nfs/dbraw/zinc/05/20/39/569052039.db2.gz	NXDQHZDLIIEYSV-WBVHZDCISA-N	-1	0	401.260	3.633	50	10	biogenic	HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(Oc2nc(Cl)ncc2F)cc1	ZINC000002174739	569293328	/nfs/dbraw/zinc/29/33/28/569293328.db2.gz	YQWOSCWTZHEBGP-XNTDXEJSSA-N	-1	0	410.792	3.523	50	10		HHCARM
COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)c1	ZINC000008753572	571112675	/nfs/dbraw/zinc/11/26/75/571112675.db2.gz	LNOSYTRRPUMQEO-PXNMLYILSA-N	-1	0	417.464	3.513	50	10		HHCARM
O=C([O-])c1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S	ZINC000008763453	571114325	/nfs/dbraw/zinc/11/43/25/571114325.db2.gz	VNMYZUCXXKBSJZ-RVDMUPIBSA-N	-1	0	416.480	3.598	50	10		HHCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000022185083	963604084	/nfs/dbraw/zinc/60/40/84/963604084.db2.gz	YHIHRYVTAPDHED-NTEUORMPSA-N	-1	0	420.321	3.891	50	10		HHCARM
CCOc1cc2c(cc1/C=C1/SC(=S)N(CCCCC(=O)[O-])C1=O)O[C@@H](C)C2	ZINC000033502179	966409510	/nfs/dbraw/zinc/40/95/10/966409510.db2.gz	DTKMHUMUPBUXCO-OOIIIRTPSA-N	-1	0	421.540	3.865	50	10		HHCARM
COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000000756387	132232545	/nfs/dbraw/zinc/23/25/45/132232545.db2.gz	PLMYOMIDCWTSPE-RVDMUPIBSA-N	-1	0	419.462	3.935	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000001061760	132236001	/nfs/dbraw/zinc/23/60/01/132236001.db2.gz	VHJABYDVKVNFNH-UXBLZVDNSA-N	-1	0	421.261	3.553	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1	ZINC000001150876	132239204	/nfs/dbraw/zinc/23/92/04/132239204.db2.gz	FFMVABBDKXQJPS-LDADJPATSA-N	-1	0	409.804	3.936	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)C(=O)[N-]C2=S)cc1	ZINC000001195326	132241422	/nfs/dbraw/zinc/24/14/22/132241422.db2.gz	BNCRQFBOSQNATA-XNTDXEJSSA-N	-1	0	401.285	3.589	50	10		HHCARM
COC(=O)Cn1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21	ZINC000001214649	132242807	/nfs/dbraw/zinc/24/28/07/132242807.db2.gz	HVIPTRPKIJUNHY-WOJGMQOQSA-N	-1	0	417.421	3.629	50	10		HHCARM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccnc1	ZINC000001219210	132242915	/nfs/dbraw/zinc/24/29/15/132242915.db2.gz	IUEFAURGOYWVMO-XDHOZWIPSA-N	-1	0	416.506	3.629	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1	ZINC000004703331	132283875	/nfs/dbraw/zinc/28/38/75/132283875.db2.gz	OUFVJJMMTZPWHK-ZROIWOOFSA-N	-1	0	405.635	3.769	50	10		HHCARM
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccs2)C(=O)[N-]C1=S	ZINC000004738998	132286358	/nfs/dbraw/zinc/28/63/58/132286358.db2.gz	UPQSJGDQZGXXGW-XYOKQWHBSA-N	-1	0	407.314	3.650	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1	ZINC000006418015	132310896	/nfs/dbraw/zinc/31/08/96/132310896.db2.gz	WJSSRWYAJYOADI-XSFVSMFZSA-N	-1	0	406.486	3.728	50	10		HHCARM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1O	ZINC000009165515	132336778	/nfs/dbraw/zinc/33/67/78/132336778.db2.gz	HBJMPLYAMPECFX-MLPAPPSSSA-N	-1	0	416.817	3.878	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3C)C2=O)cc(Cl)c1O	ZINC000001176469	535658262	/nfs/dbraw/zinc/65/82/62/535658262.db2.gz	ZZTGLCLOPSQQAH-RIYZIHGNSA-N	-1	0	414.845	3.728	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1O	ZINC000001178005	535659800	/nfs/dbraw/zinc/65/98/00/535659800.db2.gz	FWUAELYCXUJHCU-NTEUORMPSA-N	-1	0	414.845	3.673	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)cc3)C(=O)[N-]C2=S)cc1	ZINC000004738881	536657837	/nfs/dbraw/zinc/65/78/37/536657837.db2.gz	AWRQXBOSAOIJJF-XSFVSMFZSA-N	-1	0	417.490	3.626	50	10		HHCARM
Cc1cc(F)ccc1S(=O)(=O)Nc1cc(SCC(=O)[O-])c(O)c2ccccc12	ZINC000008439320	557789453	/nfs/dbraw/zinc/78/94/53/557789453.db2.gz	MSIFHZTUWKBDIH-UHFFFAOYSA-N	-1	0	421.471	3.970	50	10		HHCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000008763406	557805910	/nfs/dbraw/zinc/80/59/10/557805910.db2.gz	SKZGBORSOYQUSU-DGGAMASNSA-N	-1	0	418.452	3.919	50	10		HHCARM
N=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(N3CCCCC3)=NN21	ZINC000020356449	558357334	/nfs/dbraw/zinc/35/73/34/558357334.db2.gz	LKTWVOKTTSQEOQ-YNKGXLJYSA-N	-1	0	424.313	3.762	50	10		HHCARM
C[C@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000028296863	558699091	/nfs/dbraw/zinc/69/90/91/558699091.db2.gz	YJGBYGGSHMXIAM-GMROUXNLSA-N	-1	0	418.521	3.675	50	10		HHCARM
Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(-n2ccnc2)cc1	ZINC000066156654	558983558	/nfs/dbraw/zinc/98/35/58/558983558.db2.gz	YVPGZQLRPAGKLA-UHFFFAOYSA-N	-1	0	414.465	3.755	50	10	investigational	HHCARM
COc1ccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c(OC)c1	ZINC000033330618	559062025	/nfs/dbraw/zinc/06/20/25/559062025.db2.gz	YRVWKCWCAKKGEH-CXUHLZMHSA-N	-1	0	401.465	3.808	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=CNc1ccc(F)cc1	ZINC000098086653	559065317	/nfs/dbraw/zinc/06/53/17/559065317.db2.gz	CRQFVJOTSSMULU-WQLSENKSSA-N	-1	0	410.257	3.876	50	10		HHCARM
O=c1c(CC[S@](=O)c2ccccc2)c([O-])n(-c2ccccc2)n1-c1ccccc1	ZINC000100004233	559128387	/nfs/dbraw/zinc/12/83/87/559128387.db2.gz	MBGGBVCUIVRRBF-GDLZYMKVSA-N	-1	0	404.491	3.796	50	10	world	HHCARM
O=c1c(CC[S@@](=O)c2ccccc2)c([O-])n(-c2ccccc2)n1-c1ccccc1	ZINC000100004231	559128415	/nfs/dbraw/zinc/12/84/15/559128415.db2.gz	MBGGBVCUIVRRBF-LJAQVGFWSA-N	-1	0	404.491	3.796	50	10	world	HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Br)c(O)cc3O)C2=O)cc1	ZINC000034201507	560587548	/nfs/dbraw/zinc/58/75/48/560587548.db2.gz	JTHUKYPIJRWRPW-WUXMJOGZSA-N	-1	0	417.215	3.675	50	10		HHCARM
CCOc1ccccc1-n1cccc1C=C1C(=O)[N-]C(=O)N(Cc2ccco2)C1=O	ZINC000020210253	568594364	/nfs/dbraw/zinc/59/43/64/568594364.db2.gz	VJFNMNZJLKITSB-LGMDPLHJSA-N	-1	0	405.410	3.971	50	10		HHCARM
CCn1nc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccc[nH]2)c1C	ZINC000095436511	568609750	/nfs/dbraw/zinc/60/97/50/568609750.db2.gz	YZOSWWDAHBBVMF-UHFFFAOYSA-N	-1	0	406.895	3.533	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1O	ZINC000001180342	568822073	/nfs/dbraw/zinc/82/20/73/568822073.db2.gz	IFVABRNXQNWUAS-JXMROGBWSA-N	-1	0	423.277	3.539	50	10		HHCARM
O=C1c2ccccc2N[C@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N1C[C@H]1CCCO1	ZINC000012555013	568855230	/nfs/dbraw/zinc/85/52/30/568855230.db2.gz	UXVDBZSCNQDGCJ-XIKOKIGWSA-N	-1	0	403.822	3.699	50	10		HHCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000001306698	568913551	/nfs/dbraw/zinc/91/35/51/568913551.db2.gz	NRXNPZVFDIWANY-UDWIEESQSA-N	-1	0	403.438	3.862	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1	ZINC000001179520	568930463	/nfs/dbraw/zinc/93/04/63/568930463.db2.gz	ZREWORXGJRKQHE-XSFVSMFZSA-N	-1	0	415.405	3.635	50	10		HHCARM
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nc(-c3ccc(F)cc3)cs2)cc1	ZINC000002647917	569014462	/nfs/dbraw/zinc/01/44/62/569014462.db2.gz	GEHBLUABUKEKSF-UHFFFAOYSA-N	-1	0	406.460	3.927	50	10		HHCARM
O=C1[N-]C(=O)N(c2cc(C(F)(F)F)ccc2Cl)C(=O)/C1=C\c1ccc(O)cc1	ZINC000575442964	569028075	/nfs/dbraw/zinc/02/80/75/569028075.db2.gz	FLJBUJZYVKEJLA-GHXNOFRVSA-N	-1	0	410.735	3.731	50	10		HHCARM
CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O	ZINC000013362986	569043652	/nfs/dbraw/zinc/04/36/52/569043652.db2.gz	BLEBKUVVBZWDRA-GHXNOFRVSA-N	-1	0	416.318	3.524	50	10		HHCARM
COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@@H](CCSC)C(=O)[O-])C3=O)c2c1	ZINC000009576477	571269790	/nfs/dbraw/zinc/26/97/90/571269790.db2.gz	DFIBZFBWXLUPLY-FQNPWXFGSA-N	-1	0	422.553	3.584	50	10		HHCARM
COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2cccc(C)c2)C1=O	ZINC000001197505	960461315	/nfs/dbraw/zinc/46/13/15/960461315.db2.gz	HFXHAYJOZMYYIR-CPNJWEJPSA-N	-1	0	402.475	3.988	50	10		HHCARM
Cc1ccc(-n2cc(/C=C3/C(=O)[N-]C(=O)N(CCC4=CCCCC4)C3=O)cn2)cc1	ZINC000016213550	962983886	/nfs/dbraw/zinc/98/38/86/962983886.db2.gz	ZTYNMICMHHSQQZ-MOSHPQCFSA-N	-1	0	404.470	3.533	50	10		HHCARM
CCCOc1ccc(Br)cc1/C=C1/SC(=S)N(CC(=O)[O-])C1=O	ZINC000059180641	966003816	/nfs/dbraw/zinc/00/38/16/966003816.db2.gz	BLEBKUVVBZWDRA-KPKJPENVSA-N	-1	0	416.318	3.524	50	10		HHCARM
CCn1cc(C=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)c2ccccc21	ZINC000002394297	132253878	/nfs/dbraw/zinc/25/38/78/132253878.db2.gz	AVJVCRUPIQCZHH-GZTJUZNOSA-N	-1	0	419.437	3.549	50	10		HHCARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(N2CCC(Cl)=N2)cc1	ZINC000032099466	520895885	/nfs/dbraw/zinc/89/58/85/520895885.db2.gz	ITOCAUBRQCPMNF-WQRHYEAKSA-N	-1	0	408.845	3.953	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)[N-]C2=S)cc1	ZINC000000979753	524383893	/nfs/dbraw/zinc/38/38/93/524383893.db2.gz	AVQCQDZVCVVEJH-LDADJPATSA-N	-1	0	422.437	3.926	50	10		HHCARM
COc1ccc2nc(/C=C3/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C3=O)ccc2c1	ZINC000032051728	525659551	/nfs/dbraw/zinc/65/95/51/525659551.db2.gz	SXSLAJFRSAEVDU-HTRKUNOGSA-N	-1	0	402.497	3.554	50	10		HHCARM
CCCCCC[C@@H](C)NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000006397187	535001505	/nfs/dbraw/zinc/00/15/05/535001505.db2.gz	WGBTUJCBMCCMQE-OPCAMPFDSA-N	-1	0	422.323	3.864	50	10		HHCARM
CCCCCC[C@H](C)NC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000006397203	535004620	/nfs/dbraw/zinc/00/46/20/535004620.db2.gz	WGBTUJCBMCCMQE-WIOAZZGGSA-N	-1	0	422.323	3.864	50	10		HHCARM
CCOc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)sc2c1	ZINC000006631224	535443244	/nfs/dbraw/zinc/44/32/44/535443244.db2.gz	XZXKLNBHYZAORT-PTNGSMBKSA-N	-1	0	422.466	3.582	50	10		HHCARM
CN1C(=O)[N-]C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O	ZINC000001199683	557238566	/nfs/dbraw/zinc/23/85/66/557238566.db2.gz	GYEBCVDGOYRISM-AWNIVKPZSA-N	-1	0	423.227	3.803	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1OC(C)=O	ZINC000034846800	557468930	/nfs/dbraw/zinc/46/89/30/557468930.db2.gz	WDJUFWASONFNMT-WQRHYEAKSA-N	-1	0	408.410	3.515	50	10		HHCARM
COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCCC2	ZINC000003864141	557501583	/nfs/dbraw/zinc/50/15/83/557501583.db2.gz	RMGYGYBIBZRJDX-KNPMLCFXSA-N	-1	0	403.500	3.655	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000004611980	557572255	/nfs/dbraw/zinc/57/22/55/557572255.db2.gz	LWEQYPUQHXGNHP-KNPMLCFXSA-N	-1	0	403.500	3.655	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000004704568	557584699	/nfs/dbraw/zinc/58/46/99/557584699.db2.gz	UXSCSTDVMAJAIY-NTEUORMPSA-N	-1	0	405.635	3.769	50	10		HHCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C(N)=O)cc1	ZINC000012603881	558438706	/nfs/dbraw/zinc/43/87/06/558438706.db2.gz	WGWVQZCRCXPDSF-LRDZBDLTSA-N	-1	0	404.455	3.784	50	10		HHCARM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S	ZINC000013682168	558567310	/nfs/dbraw/zinc/56/73/10/558567310.db2.gz	JVHBCVSYFPWMSA-MIQLPHMESA-N	-1	0	423.515	3.903	50	10		HHCARM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2C)SC1=S	ZINC000013730145	558586355	/nfs/dbraw/zinc/58/63/55/558586355.db2.gz	YZESAYPDGUCDEM-MDHSVXEESA-N	-1	0	421.565	3.801	50	10		HHCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000013940208	558604191	/nfs/dbraw/zinc/60/41/91/558604191.db2.gz	MJWFJHPMYDZYEC-ATVHPVEESA-N	-1	0	409.398	3.649	50	10		HHCARM
COc1cccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)c1OC	ZINC000027530376	558674086	/nfs/dbraw/zinc/67/40/86/558674086.db2.gz	DUFZQLWLCBVRHR-OVCLIPMQSA-N	-1	0	417.464	3.513	50	10		HHCARM
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccccc3C(=O)[O-])C2=O)cc1	ZINC000015799854	558753768	/nfs/dbraw/zinc/75/37/68/558753768.db2.gz	YYNIDDNFTWDBLU-YBEGLDIGSA-N	-1	0	412.492	3.533	50	10		HHCARM
CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1C3CCC(CC3)[C@@H]1C(=O)[O-])CCC2	ZINC000017083193	558815578	/nfs/dbraw/zinc/81/55/78/558815578.db2.gz	WQMBSOYIDGEVGC-TUHYSUIHSA-N	-1	0	405.516	3.878	50	10		HHCARM
COc1cccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1OC	ZINC000013713539	558858307	/nfs/dbraw/zinc/85/83/07/558858307.db2.gz	OYWRMRKBZMSJHW-GDNBJRDFSA-N	-1	0	401.465	3.808	50	10		HHCARM
CCCC[C@@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000019707321	558969610	/nfs/dbraw/zinc/96/96/10/558969610.db2.gz	JZTFAHZEIWARHU-UFSZVFTQSA-N	-1	0	415.534	3.674	50	10		HHCARM
COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000033319632	559057419	/nfs/dbraw/zinc/05/74/19/559057419.db2.gz	AVMUPKVMGMDAJC-RIYZIHGNSA-N	-1	0	416.817	3.873	50	10		HHCARM
COc1ccccc1N1C(=O)C(=Cc2cccn2-c2ccc(O)cc2)C(=O)[N-]C1=S	ZINC000033333326	559063240	/nfs/dbraw/zinc/06/32/40/559063240.db2.gz	VVNQXJUUIQEWPX-LGMDPLHJSA-N	-1	0	419.462	3.863	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCCOc1ccccc1	ZINC000004812489	559069538	/nfs/dbraw/zinc/06/95/38/559069538.db2.gz	RAIVONBTQIWTTG-FXBPSFAMSA-N	-1	0	400.434	3.606	50	10		HHCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100148685	559164556	/nfs/dbraw/zinc/16/45/56/559164556.db2.gz	DZVXVGAGDNGLGG-CXUHLZMHSA-N	-1	0	401.766	3.875	50	10		HHCARM
COc1ccc(Br)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000013039595	560791827	/nfs/dbraw/zinc/79/18/27/560791827.db2.gz	KEFLOEVICNQOTE-GXDHUFHOSA-N	-1	0	401.216	3.964	50	10		HHCARM
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1	ZINC000000678056	568461235	/nfs/dbraw/zinc/46/12/35/568461235.db2.gz	LRIVHBGJSNUONR-XMHGGMMESA-N	-1	0	402.406	3.585	50	10		HHCARM
COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)c(OC)c1	ZINC000012389942	568693605	/nfs/dbraw/zinc/69/36/05/568693605.db2.gz	IUFOXFHKKNKDGZ-MRXNPFEDSA-N	-1	0	408.454	3.880	50	10		HHCARM
O=C1c2ccccc2N[C@@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N1C[C@H]1CCCO1	ZINC000012555012	568855259	/nfs/dbraw/zinc/85/52/59/568855259.db2.gz	UXVDBZSCNQDGCJ-KZULUSFZSA-N	-1	0	403.822	3.699	50	10		HHCARM
COc1ccc2[nH]c(=O)c(-c3c4c[nH]nc4nc4c5ccc(O)c([O-])c5oc43)cc2c1	ZINC000217924421	568919983	/nfs/dbraw/zinc/91/99/83/568919983.db2.gz	AWPFNDKKTMYUSJ-UHFFFAOYSA-N	-1	0	414.377	3.786	50	10	biogenic	HHCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000001756276	569052043	/nfs/dbraw/zinc/05/20/43/569052043.db2.gz	OZYQTYYVJNUVMW-MHWRWJLKSA-N	-1	0	407.338	3.950	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCCOc2ccccc2)cc1	ZINC000001826629	569056262	/nfs/dbraw/zinc/05/62/62/569056262.db2.gz	UBJSTPBOBJGDCT-OQKWZONESA-N	-1	0	400.434	3.606	50	10		HHCARM
Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000252666810	569319149	/nfs/dbraw/zinc/31/91/49/569319149.db2.gz	CIUHESIPAWCHNN-UHFFFAOYSA-N	-1	0	415.474	3.563	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S	ZINC000003640309	569321202	/nfs/dbraw/zinc/32/12/02/569321202.db2.gz	QFQDHIXYDLKLMU-GZTJUZNOSA-N	-1	0	421.503	3.825	50	10		HHCARM
COc1cccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)c1OC	ZINC000012140502	569399740	/nfs/dbraw/zinc/39/97/40/569399740.db2.gz	DUFZQLWLCBVRHR-NVNXTCNLSA-N	-1	0	417.464	3.513	50	10		HHCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)c(O)c1	ZINC000008974466	571197469	/nfs/dbraw/zinc/19/74/69/571197469.db2.gz	JVMAKHUXDNKXCP-XMHGGMMESA-N	-1	0	411.502	3.591	50	10		HHCARM
COc1cccc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)[N-]C2=S)c1	ZINC000001197572	960461293	/nfs/dbraw/zinc/46/12/93/960461293.db2.gz	YCIVFDHHDGUSFT-LVVPDBGKSA-N	-1	0	409.423	3.831	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000022107466	963592940	/nfs/dbraw/zinc/59/29/40/963592940.db2.gz	BRHJVXBLNPHCFF-UYRXBGFRSA-N	-1	0	418.474	3.688	50	10		HHCARM
Cc1ccc(N=Nc2cc(C)ccc2[N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)cc1	ZINC000254294195	970569872	/nfs/dbraw/zinc/56/98/72/970569872.db2.gz	YAWCWJNWMPFLQG-UHFFFAOYSA-N	-1	0	411.487	3.957	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccc(Cl)c1	ZINC000001172815	132240248	/nfs/dbraw/zinc/24/02/48/132240248.db2.gz	YXJVFIDRZKNGFR-RIYZIHGNSA-N	-1	0	405.635	3.769	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(CC)c4ccccc34)C2=O)cc1	ZINC000002394191	132253896	/nfs/dbraw/zinc/25/38/96/132253896.db2.gz	NGKXEZSVJXQVTA-CPNJWEJPSA-N	-1	0	403.438	3.931	50	10		HHCARM
COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(OC)c1OC	ZINC000002590860	132255716	/nfs/dbraw/zinc/25/57/16/132255716.db2.gz	SLAKFHCLGSJLKY-SDNWHVSQSA-N	-1	0	412.467	3.692	50	10		HHCARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1	ZINC000009355097	132338967	/nfs/dbraw/zinc/33/89/67/132338967.db2.gz	GPKHRVUOZFKBFA-VXLYETTFSA-N	-1	0	420.856	3.809	50	10		HHCARM
Cc1ccsc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(Br)cc2C)C1=O	ZINC000012363690	132359010	/nfs/dbraw/zinc/35/90/10/132359010.db2.gz	JLNPOBNXLAERPD-WQLSENKSSA-N	-1	0	421.341	3.959	50	10		HHCARM
Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1	ZINC000012362848	132359048	/nfs/dbraw/zinc/35/90/48/132359048.db2.gz	BUURBIQHYCBYDE-XSFVSMFZSA-N	-1	0	401.491	3.925	50	10		HHCARM
CC(C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1Cl	ZINC000001153982	534971489	/nfs/dbraw/zinc/97/14/89/534971489.db2.gz	ADECBVWZLKUFBI-OQLLNIDSSA-N	-1	0	402.809	3.933	50	10		HHCARM
CCCCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(c4cccc(OC)c4)C3=O)ccc21	ZINC000009089964	535276119	/nfs/dbraw/zinc/27/61/19/535276119.db2.gz	KJVXQDLNPWIOTB-XSFVSMFZSA-N	-1	0	419.481	3.729	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(Cl)c1OC	ZINC000009311086	536598494	/nfs/dbraw/zinc/59/84/94/536598494.db2.gz	QYWYRJPAXARVNH-UKTHLTGXSA-N	-1	0	421.236	3.677	50	10		HHCARM
Cc1ccc(S(=O)(=O)Nc2ccc([O-])c(S(=O)(=O)c3ccc(C)cc3)c2)cc1	ZINC000001085948	557176628	/nfs/dbraw/zinc/17/66/28/557176628.db2.gz	TZYAHROQDGRCCW-UHFFFAOYSA-N	-1	0	417.508	3.643	50	10		HHCARM
O=C([O-])CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000001816620	557290428	/nfs/dbraw/zinc/29/04/28/557290428.db2.gz	JQBXGMWSNAAQLK-NTEUORMPSA-N	-1	0	404.425	3.531	50	10		HHCARM
O=S(=O)([N-]c1ccc(O)cc1)c1cc(Br)ccc1Br	ZINC000003324384	557473410	/nfs/dbraw/zinc/47/34/10/557473410.db2.gz	GTZQAJXFDSLENS-UHFFFAOYSA-N	-1	0	407.083	3.718	50	10		HHCARM
CCCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000004613979	557572318	/nfs/dbraw/zinc/57/23/18/557572318.db2.gz	IVFLOMBMZSYNAC-YEJOONJESA-N	-1	0	417.527	3.901	50	10		HHCARM
CC(C)CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)[O-])cc2C1=O	ZINC000005049602	557630126	/nfs/dbraw/zinc/63/01/26/557630126.db2.gz	PIQXBTGYVMSYLP-UHFFFAOYSA-N	-1	0	414.845	3.933	50	10		HHCARM
COc1ccc(CN2C(=O)/C(=C/c3ccc([O-])c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000015010846	558700375	/nfs/dbraw/zinc/70/03/75/558700375.db2.gz	FWCZWFPQIRSNHE-SXGWCWSVSA-N	-1	0	402.453	3.710	50	10		HHCARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000004676841	558888810	/nfs/dbraw/zinc/88/88/10/558888810.db2.gz	FVOYGOQGNZKTIN-MTJSOVHGSA-N	-1	0	417.465	3.966	50	10		HHCARM
Cc1cc(C)c(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c([O-])cc2C)c(C)c1	ZINC000004735807	559034976	/nfs/dbraw/zinc/03/49/76/559034976.db2.gz	PZPDJFXKAMWKLD-UHFFFAOYSA-N	-1	0	404.517	3.696	50	10		HHCARM
COc1ccc2c(/C=C3\SC(=S)N([C@H](CCSC)C(=O)[O-])C3=O)c[nH]c2c1	ZINC000051330859	560875712	/nfs/dbraw/zinc/87/57/12/560875712.db2.gz	QILMKFOZODAQNJ-UMJDEASPSA-N	-1	0	422.553	3.584	50	10		HHCARM
COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)c(OC)c1	ZINC000012389941	568693637	/nfs/dbraw/zinc/69/36/37/568693637.db2.gz	IUFOXFHKKNKDGZ-INIZCTEOSA-N	-1	0	408.454	3.880	50	10		HHCARM
Cc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)o1	ZINC000096114144	568693636	/nfs/dbraw/zinc/69/36/36/568693636.db2.gz	XSTKBIUPMZNKJC-LBPRGKRZSA-N	-1	0	420.373	3.919	50	10	biogenic	HHCARM
O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc2c(-c3ccccc3)cc(=O)oc21	ZINC000000940540	568752944	/nfs/dbraw/zinc/75/29/44/568752944.db2.gz	LBUXRSIZBJQCAB-OAQYLSRUSA-N	-1	0	415.445	3.951	50	10	biogenic	HHCARM
O=S(=O)(Nc1cc(Br)c([O-])c(Br)c1)c1ccccc1	ZINC000002944707	568819778	/nfs/dbraw/zinc/81/97/78/568819778.db2.gz	GQORONPQIJQFDJ-UHFFFAOYSA-N	-1	0	407.083	3.718	50	10		HHCARM
CC(C)(C)N1C(=O)[N-]C(=O)C(=CNCCC(c2ccccc2)c2ccccc2)C1=O	ZINC000005833645	568825271	/nfs/dbraw/zinc/82/52/71/568825271.db2.gz	HYLFGFBSVUBUKQ-SILNSSARSA-N	-1	0	405.498	3.559	50	10		HHCARM
CCOc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2cccc(Br)c2)C1=O	ZINC000004178861	568949202	/nfs/dbraw/zinc/94/92/02/568949202.db2.gz	SCORMNLQQNQPCR-DHDCSXOGSA-N	-1	0	421.678	3.963	50	10		HHCARM
Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000015799774	569009974	/nfs/dbraw/zinc/00/99/74/569009974.db2.gz	JJOVXGFBLFFHOQ-MHWRWJLKSA-N	-1	0	424.254	3.905	50	10		HHCARM
CCCCN1CCc2cc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)ccc21	ZINC000013554404	569256013	/nfs/dbraw/zinc/25/60/13/569256013.db2.gz	GFGIGGYFDHLZNQ-HKWRFOASSA-N	-1	0	419.481	3.524	50	10		HHCARM
COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000002203854	569296117	/nfs/dbraw/zinc/29/61/17/569296117.db2.gz	CUTVSVKPVSKODQ-MHWRWJLKSA-N	-1	0	401.465	3.564	50	10		HHCARM
CCC[C@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(OC)cc3)c2C(N)=O)C1	ZINC000002734090	569356796	/nfs/dbraw/zinc/35/67/96/569356796.db2.gz	VGBLNVNJPHGYPM-LBPRGKRZSA-N	-1	0	408.545	3.561	50	10		HHCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc(Cl)c1O	ZINC000022135336	963596098	/nfs/dbraw/zinc/59/60/98/963596098.db2.gz	ZFILRWSQISLLSR-NVNXTCNLSA-N	-1	0	414.845	3.844	50	10		HHCARM
CCc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)C(=O)[N-]C1=S	ZINC000000631904	132229414	/nfs/dbraw/zinc/22/94/14/132229414.db2.gz	KFXTUMUIMPJGGS-SAPNQHFASA-N	-1	0	409.511	3.664	50	10		HHCARM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)c(F)c2)C1=O	ZINC000001134022	132238528	/nfs/dbraw/zinc/23/85/28/132238528.db2.gz	QARMSIJMRWINKJ-GHRIWEEISA-N	-1	0	407.445	3.655	50	10		HHCARM
Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)ccn1	ZINC000001139804	132238811	/nfs/dbraw/zinc/23/88/11/132238811.db2.gz	RKWLZYAGEZHLNJ-XDHOZWIPSA-N	-1	0	418.428	3.603	50	10		HHCARM
Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O	ZINC000001176800	132240417	/nfs/dbraw/zinc/24/04/17/132240417.db2.gz	ONUMTSJPHKBLGU-XYOKQWHBSA-N	-1	0	407.314	3.650	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(Br)c1	ZINC000001205031	132242370	/nfs/dbraw/zinc/24/23/70/132242370.db2.gz	NBGVCLOOXDMZAN-ZROIWOOFSA-N	-1	0	405.635	3.769	50	10		HHCARM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1Cl	ZINC000002959558	132260498	/nfs/dbraw/zinc/26/04/98/132260498.db2.gz	OOTTUZPYTKAWOJ-XNTDXEJSSA-N	-1	0	400.887	3.878	50	10		HHCARM
COc1cccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)c1OC	ZINC000032707946	525766088	/nfs/dbraw/zinc/76/60/88/525766088.db2.gz	BLDGGQFSEYDOEA-OVCLIPMQSA-N	-1	0	417.464	3.513	50	10		HHCARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccccc1	ZINC000000853249	526088134	/nfs/dbraw/zinc/08/81/34/526088134.db2.gz	YCUCBQRCBWEOOW-MOSHPQCFSA-N	-1	0	403.413	3.900	50	10		HHCARM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Cl)c2C)C1=O	ZINC000001124768	535486163	/nfs/dbraw/zinc/48/61/63/535486163.db2.gz	MMHCCRPMINXKCZ-SDNWHVSQSA-N	-1	0	400.887	3.878	50	10		HHCARM
COc1ccc(N2C(=O)C(=Cc3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)cc1	ZINC000002369410	536657539	/nfs/dbraw/zinc/65/75/39/536657539.db2.gz	FPWBZIDABDJVKR-CPNJWEJPSA-N	-1	0	419.462	3.863	50	10		HHCARM
COC(=O)c1ccccc1NC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000001066450	557166570	/nfs/dbraw/zinc/16/65/70/557166570.db2.gz	XCVPCVARHSUBOH-UHFFFAOYSA-N	-1	0	406.438	3.598	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S	ZINC000002834824	557398440	/nfs/dbraw/zinc/39/84/40/557398440.db2.gz	BRPWEXKPDANQEO-CXUHLZMHSA-N	-1	0	403.456	3.691	50	10		HHCARM
CCc1cccc2c(C=C3C(=O)[N-]C(=O)N(Cc4ccc5c(c4)OCO5)C3=O)c[nH]c21	ZINC000020232342	558350132	/nfs/dbraw/zinc/35/01/32/558350132.db2.gz	LJGCWWQEFRHZFX-MFOYZWKCSA-N	-1	0	417.421	3.961	50	10		HHCARM
C[C@@H](C(=O)Nc1ccc(C(=O)[O-])cc1)N1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000028296861	558699066	/nfs/dbraw/zinc/69/90/66/558699066.db2.gz	YJGBYGGSHMXIAM-RSYJBZMQSA-N	-1	0	418.521	3.675	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000017083189	558815590	/nfs/dbraw/zinc/81/55/90/558815590.db2.gz	FAYYDKAQHIXEFZ-TUHYSUIHSA-N	-1	0	405.516	3.879	50	10		HHCARM
COc1ccc(Cl)cc1/C=C1/C(=O)[N-]N(c2cccc(Br)c2)C1=O	ZINC000013615679	558847707	/nfs/dbraw/zinc/84/77/07/558847707.db2.gz	UXFBAFSCUZDDSJ-ZSOIEALJSA-N	-1	0	407.651	3.573	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000100757859	559264147	/nfs/dbraw/zinc/26/41/47/559264147.db2.gz	RNLPABKJBBAOIS-DTQAZKPQSA-N	-1	0	412.877	3.765	50	10		HHCARM
CCOc1cc2c(cc1/C=C1\SC(=S)N(CCCCC(=O)[O-])C1=O)O[C@H](C)C2	ZINC000006941081	560634639	/nfs/dbraw/zinc/63/46/39/560634639.db2.gz	DTKMHUMUPBUXCO-ZSAINHDTSA-N	-1	0	421.540	3.865	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1cccc(Br)c1	ZINC000015836160	560857617	/nfs/dbraw/zinc/85/76/17/560857617.db2.gz	YFCOZORGTQHFHB-RIYZIHGNSA-N	-1	0	416.187	3.864	50	10		HHCARM
Cc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c32)o1	ZINC000096114145	568693624	/nfs/dbraw/zinc/69/36/24/568693624.db2.gz	XSTKBIUPMZNKJC-GFCCVEGCSA-N	-1	0	420.373	3.919	50	10	biogenic	HHCARM
COc1ccc(-c2nc([N-]S(=O)(=O)c3ccccc3)sc2C)cc1[N+](=O)[O-]	ZINC000096592436	568763245	/nfs/dbraw/zinc/76/32/45/568763245.db2.gz	YYLDOGJPHNVCDI-UHFFFAOYSA-N	-1	0	405.457	3.836	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(Br)cc2F)SC1=S	ZINC000013343638	569255230	/nfs/dbraw/zinc/25/52/30/569255230.db2.gz	SVRNVIMZPFUDPC-IZZDOVSWSA-N	-1	0	404.282	3.654	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1OC	ZINC000008753584	571112772	/nfs/dbraw/zinc/11/27/72/571112772.db2.gz	STCBGADZKBEIDQ-PXNMLYILSA-N	-1	0	417.464	3.513	50	10		HHCARM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S	ZINC000009422224	571257289	/nfs/dbraw/zinc/25/72/89/571257289.db2.gz	BVFHCGTZCCBDAA-QTNMRXCUSA-N	-1	0	404.538	3.642	50	10		HHCARM
COc1ccc2[nH]cc(/C=C3\SC(=S)N([C@H](CCSC)C(=O)[O-])C3=O)c2c1	ZINC000009576480	571269791	/nfs/dbraw/zinc/26/97/91/571269791.db2.gz	DFIBZFBWXLUPLY-UMJDEASPSA-N	-1	0	422.553	3.584	50	10		HHCARM
Cc1sc([N-]S(=O)(=O)c2ccc(C)cc2)nc1-c1ccc2c(c1)NC(=O)CO2	ZINC000019796464	571310442	/nfs/dbraw/zinc/31/04/42/571310442.db2.gz	CCKFRZWNVCJBAN-UHFFFAOYSA-N	-1	0	415.496	3.559	50	10		HHCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)cc1	ZINC000000712432	132231438	/nfs/dbraw/zinc/23/14/38/132231438.db2.gz	DSCNKSWUSWPLMI-XMHGGMMESA-N	-1	0	401.491	3.737	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccccc1F	ZINC000001065578	132236124	/nfs/dbraw/zinc/23/61/24/132236124.db2.gz	NYTBUFPHBYHEEE-WYMLVPIESA-N	-1	0	409.417	3.587	50	10		HHCARM
CC[C@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000001153558	132239287	/nfs/dbraw/zinc/23/92/87/132239287.db2.gz	BWBWOIMRKKVSTB-HNEYUBDGSA-N	-1	0	412.417	3.678	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C/c1ccc(O)cc1	ZINC000001175451	132240451	/nfs/dbraw/zinc/24/04/51/132240451.db2.gz	LNAZMBDIMZCJAN-KGENOOAVSA-N	-1	0	414.417	3.638	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1	ZINC000001185193	132240925	/nfs/dbraw/zinc/24/09/25/132240925.db2.gz	CIADUBHGOBZQQW-QGOAFFKASA-N	-1	0	407.882	3.962	50	10		HHCARM
COc1cccc(N2C(=O)/C(=C/c3c(OC)ccc4ccccc43)C(=O)[N-]C2=S)c1	ZINC000001197562	132241661	/nfs/dbraw/zinc/24/16/61/132241661.db2.gz	TYUXPGDGPJRJKB-CPNJWEJPSA-N	-1	0	418.474	3.688	50	10		HHCARM
CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000002736193	132257256	/nfs/dbraw/zinc/25/72/56/132257256.db2.gz	ZOGREBPWICYTEH-XNTDXEJSSA-N	-1	0	417.284	3.837	50	10		HHCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(O)c1	ZINC000004047871	132270181	/nfs/dbraw/zinc/27/01/81/132270181.db2.gz	JPRKLYGOAREGQV-XDHOZWIPSA-N	-1	0	407.470	3.522	50	10		HHCARM
CCc1ccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000004711361	132284803	/nfs/dbraw/zinc/28/48/03/132284803.db2.gz	HDDJLFCJWNJUBC-UYRXBGFRSA-N	-1	0	403.507	3.880	50	10		HHCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CN=c3[nH]c4ccc(Cl)cc4s3)C2=O)c1	ZINC000004838023	132290042	/nfs/dbraw/zinc/29/00/42/132290042.db2.gz	PSFPBZDBKAYVKC-LCYFTJDESA-N	-1	0	412.858	3.837	50	10		HHCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCCC4)cc3)C2=O)cc1	ZINC000005516439	132306355	/nfs/dbraw/zinc/30/63/55/132306355.db2.gz	MLJLFIRSOPLKGV-LTGZKZEYSA-N	-1	0	419.481	3.742	50	10		HHCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1	ZINC000008916237	132334107	/nfs/dbraw/zinc/33/41/07/132334107.db2.gz	HKKOKYQLSGKXDO-PDGQHHTCSA-N	-1	0	417.377	3.830	50	10		HHCARM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000682721	527081023	/nfs/dbraw/zinc/08/10/23/527081023.db2.gz	XEYWPINCRPAIHE-BOPFTXTBSA-N	-1	0	409.785	3.970	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1Cl	ZINC000006215575	536597239	/nfs/dbraw/zinc/59/72/39/536597239.db2.gz	CDOVPJMXCLCMMR-OQLLNIDSSA-N	-1	0	400.887	3.797	50	10		HHCARM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000000682720	557056800	/nfs/dbraw/zinc/05/68/00/557056800.db2.gz	XEYWPINCRPAIHE-GZTJUZNOSA-N	-1	0	409.785	3.970	50	10		HHCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccccc1	ZINC000000686989	557058942	/nfs/dbraw/zinc/05/89/42/557058942.db2.gz	ZLIZTGNQLJNTKJ-XSFVSMFZSA-N	-1	0	400.434	3.736	50	10		HHCARM
COC(=O)c1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)cc1	ZINC000000820596	557092295	/nfs/dbraw/zinc/09/22/95/557092295.db2.gz	SXSNPNBKWZAXQT-UHFFFAOYSA-N	-1	0	417.373	3.764	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000015685406	558748984	/nfs/dbraw/zinc/74/89/84/558748984.db2.gz	WBMZVOFDJSZLTL-DHDCSXOGSA-N	-1	0	418.452	3.723	50	10		HHCARM
COC(=O)c1cc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)ccc1Cl	ZINC000016194062	558777584	/nfs/dbraw/zinc/77/75/84/558777584.db2.gz	LKGCZRGNKQYAJG-ATVHPVEESA-N	-1	0	422.824	3.848	50	10		HHCARM
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(F)cc4)C3=O)o2)cc1	ZINC000013615657	558847636	/nfs/dbraw/zinc/84/76/36/558847636.db2.gz	AHPNYWBZDZTGLB-UYRXBGFRSA-N	-1	0	420.396	3.724	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1	ZINC000013616204	558847724	/nfs/dbraw/zinc/84/77/24/558847724.db2.gz	YAIOXFFXFLGIRP-PDGQHHTCSA-N	-1	0	417.377	3.830	50	10		HHCARM
CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=N)S1	ZINC000033317851	559055758	/nfs/dbraw/zinc/05/57/58/559055758.db2.gz	USTDPTLSNNQDGT-ICZFKYGZSA-N	-1	0	408.439	3.920	50	10		HHCARM
CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1OC	ZINC000004783812	559062899	/nfs/dbraw/zinc/06/28/99/559062899.db2.gz	QSWIJCLXRZSSKQ-NTEUORMPSA-N	-1	0	406.866	3.542	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3F)C2=O)cc1	ZINC000005034002	559231774	/nfs/dbraw/zinc/23/17/74/559231774.db2.gz	RRQRJMUZVMSXDY-ZHZULCJRSA-N	-1	0	417.440	3.904	50	10		HHCARM
CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1OC(C)=O	ZINC000005475184	560626793	/nfs/dbraw/zinc/62/67/93/560626793.db2.gz	WDJUFWASONFNMT-WOJGMQOQSA-N	-1	0	408.410	3.515	50	10		HHCARM
COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000103020660	560836783	/nfs/dbraw/zinc/83/67/83/560836783.db2.gz	XFZYFNFEFFKRCP-FGSXEWAUSA-N	-1	0	420.465	3.504	50	10		HHCARM
COc1cc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCCC5)=NN2)ccc1O	ZINC000012321363	568470909	/nfs/dbraw/zinc/47/09/09/568470909.db2.gz	LKELZSHJFWIVCP-INIZCTEOSA-N	-1	0	420.465	3.839	50	10		HHCARM
COc1cc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)cc1OC	ZINC000012323318	568471351	/nfs/dbraw/zinc/47/13/51/568471351.db2.gz	LSKTVLTWTMJZKO-CQSZACIVSA-N	-1	0	424.453	3.580	50	10		HHCARM
O=C([O-])c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1	ZINC000001839019	568838252	/nfs/dbraw/zinc/83/82/52/568838252.db2.gz	YDHHUSLIYMMEAV-RVDMUPIBSA-N	-1	0	416.480	3.598	50	10		HHCARM
COc1ccc(N2CCN(c3ccc(NC(=O)CC(C)C)c(C(=O)[O-])c3)CC2)cc1	ZINC000064589800	569069025	/nfs/dbraw/zinc/06/90/25/569069025.db2.gz	OTHDOSKOMIPGSW-UHFFFAOYSA-N	-1	0	411.502	3.705	50	10		HHCARM
COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)nc12	ZINC000006660602	569083794	/nfs/dbraw/zinc/08/37/94/569083794.db2.gz	VFVZRKLMTDMJGQ-JYRVWZFOSA-N	-1	0	408.888	3.573	50	10		HHCARM
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)cc1	ZINC000027548699	569372425	/nfs/dbraw/zinc/37/24/25/569372425.db2.gz	QPSVTHYGMACVFP-LDADJPATSA-N	-1	0	422.824	3.848	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3nc4ccccc4s3)o2)SC1=S	ZINC000002411939	569396974	/nfs/dbraw/zinc/39/69/74/569396974.db2.gz	CIXZVIJVZIFNNJ-QPEQYQDCSA-N	-1	0	402.478	3.842	50	10		HHCARM
O=C(NCc1cc([N+](=O)[O-])ccc1[O-])c1cc(-c2ccncc2)nc2ccccc21	ZINC000012823686	569403884	/nfs/dbraw/zinc/40/38/84/569403884.db2.gz	CZLJDQAQFFSBHF-UHFFFAOYSA-N	-1	0	400.394	3.841	50	10		HHCARM
Cc1cc(-n2c(C)cc(/C=C3\CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)c2C)no1	ZINC000025049377	964154351	/nfs/dbraw/zinc/15/43/51/964154351.db2.gz	ZBYLJAORCQRHAT-XNTDXEJSSA-N	-1	0	416.437	3.743	50	10		HHCARM
CCOc1cc2c(cc1/C=C1/SC(=S)N(CCCCC(=O)[O-])C1=O)O[C@H](C)C2	ZINC000033502178	966409751	/nfs/dbraw/zinc/40/97/51/966409751.db2.gz	DTKMHUMUPBUXCO-PBSOMRJOSA-N	-1	0	421.540	3.865	50	10		HHCARM
Cc1cc(Br)ccc1N1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O	ZINC000001106735	132237256	/nfs/dbraw/zinc/23/72/56/132237256.db2.gz	BUZDMDTYVWTUSX-OQLLNIDSSA-N	-1	0	424.254	3.905	50	10		HHCARM
CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)cc1	ZINC000001172517	132240223	/nfs/dbraw/zinc/24/02/23/132240223.db2.gz	NNWDVSPZSIACBW-HMMYKYKNSA-N	-1	0	417.490	3.707	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1Cl	ZINC000001203821	132242082	/nfs/dbraw/zinc/24/20/82/132242082.db2.gz	CGBGZIYQLGAFQH-MDWZMJQESA-N	-1	0	405.635	3.769	50	10		HHCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1OC	ZINC000001213648	132242796	/nfs/dbraw/zinc/24/27/96/132242796.db2.gz	QYUDBINKJVWMOI-OVCLIPMQSA-N	-1	0	414.845	3.640	50	10		HHCARM
CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)[N-]C2=S)cc1	ZINC000004723879	132285951	/nfs/dbraw/zinc/28/59/51/132285951.db2.gz	QAWVLDDQVKOCKX-GDNBJRDFSA-N	-1	0	400.887	3.742	50	10		HHCARM
COc1ccccc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(=O)[N-]C1=S	ZINC000005527594	132306596	/nfs/dbraw/zinc/30/65/96/132306596.db2.gz	XRGODNDSNXTTMM-LUAWRHEFSA-N	-1	0	407.278	3.833	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1cc2c3c(c1)CCCN3CCC2	ZINC000006898835	132319982	/nfs/dbraw/zinc/31/99/82/132319982.db2.gz	MRYOEQUWHASEFP-RGEXLXHISA-N	-1	0	403.507	3.628	50	10		HHCARM
COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O	ZINC000008743690	132332931	/nfs/dbraw/zinc/33/29/31/132332931.db2.gz	FURPUYSHUNCDNS-OQLLNIDSSA-N	-1	0	410.426	3.836	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1	ZINC000009348261	132338936	/nfs/dbraw/zinc/33/89/36/132338936.db2.gz	KTLFPJFQSWYVNN-PDGQHHTCSA-N	-1	0	417.377	3.830	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C(=O)[N-]C2=S)cc1	ZINC000004739009	536659610	/nfs/dbraw/zinc/65/96/10/536659610.db2.gz	JHPSYDNFMZZQGR-ZSOIEALJSA-N	-1	0	407.278	3.833	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@@H]2CC(Cl)=CC[C@H]2C(=O)[O-])sc2c1CCCC2	ZINC000001175223	557227184	/nfs/dbraw/zinc/22/71/84/557227184.db2.gz	PYWGQTDTTLPVSD-DGCLKSJQSA-N	-1	0	411.907	3.976	50	10		HHCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000008763410	557805947	/nfs/dbraw/zinc/80/59/47/557805947.db2.gz	RKFBRMJYSGVVEY-GULXKOIASA-N	-1	0	418.452	3.919	50	10		HHCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000008951588	557816149	/nfs/dbraw/zinc/81/61/49/557816149.db2.gz	DBOXGNDYMJFDSO-GULXKOIASA-N	-1	0	418.452	3.919	50	10		HHCARM
COc1cccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c1OC	ZINC000013121990	558517617	/nfs/dbraw/zinc/51/76/17/558517617.db2.gz	FWZXAFVNVQVFNB-QZFKAFNDSA-N	-1	0	415.492	3.731	50	10		HHCARM
O=C([O-])CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)s2)SC1=S	ZINC000023078658	558533605	/nfs/dbraw/zinc/53/36/05/558533605.db2.gz	MFBZPVMKNARBCZ-NTEUORMPSA-N	-1	0	420.493	3.999	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1c[nH]c2ccccc12	ZINC000013571610	558542141	/nfs/dbraw/zinc/54/21/41/558542141.db2.gz	IETMBPXNQGYBQP-OVCLIPMQSA-N	-1	0	410.227	3.597	50	10		HHCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(O)cc1	ZINC000013811578	558595691	/nfs/dbraw/zinc/59/56/91/558595691.db2.gz	IFCFYMFEOAVGTK-BKUYFWCQSA-N	-1	0	415.449	3.666	50	10		HHCARM
CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1OC	ZINC000015219901	558728194	/nfs/dbraw/zinc/72/81/94/558728194.db2.gz	CYNQAEPMSKIHFK-AQTBWJFISA-N	-1	0	424.453	3.549	50	10		HHCARM
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C	ZINC000015837422	558756196	/nfs/dbraw/zinc/75/61/96/558756196.db2.gz	LQTXFBVGLTZZKS-WCSRMQSCSA-N	-1	0	408.310	3.780	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000017083190	558815649	/nfs/dbraw/zinc/81/56/49/558815649.db2.gz	FAYYDKAQHIXEFZ-INCPQMAJSA-N	-1	0	405.516	3.879	50	10		HHCARM
Cc1cccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@@H]3C)C(=O)[N-]C2=S)c1	ZINC000098086674	559064966	/nfs/dbraw/zinc/06/49/66/559064966.db2.gz	NXRCLTJSJGUOFU-HIXWQLQUSA-N	-1	0	409.486	3.607	50	10		HHCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccccc1F	ZINC000001199429	560727676	/nfs/dbraw/zinc/72/76/76/560727676.db2.gz	FIXGSDKZRZXEFM-CPNJWEJPSA-N	-1	0	418.424	3.875	50	10		HHCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(Cl)c3)C2=O)c1	ZINC000001219231	560728013	/nfs/dbraw/zinc/72/80/13/560728013.db2.gz	QJJBJUWZMXMIQK-MHWRWJLKSA-N	-1	0	414.845	3.804	50	10		HHCARM
COc1cc(OC)cc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)c1	ZINC000012296729	568462447	/nfs/dbraw/zinc/46/24/47/568462447.db2.gz	OOSJRPNKUUFLHJ-SFHVURJKSA-N	-1	0	420.465	3.752	50	10	biogenic	HHCARM
O=c1cc(-c2ccccc2)oc2c1c([O-])c(O)c1c2[C@H](c2ccncc2)CC(=O)O1	ZINC000096114170	568694016	/nfs/dbraw/zinc/69/40/16/568694016.db2.gz	MJTFGJNFTZONSL-AWEZNQCLSA-N	-1	0	401.374	3.707	50	10	biogenic	HHCARM
CC(C)CN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)[O-])cc2C1=O	ZINC000001217007	568835455	/nfs/dbraw/zinc/83/54/55/568835455.db2.gz	UTRAUGYXHLKWLL-UHFFFAOYSA-N	-1	0	400.818	3.543	50	10		HHCARM
O=C1[N-]C(=O)C(=CC2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2)C(=O)N1	ZINC000003195795	568860923	/nfs/dbraw/zinc/86/09/23/568860923.db2.gz	IUUQTHQFRZERRH-QFIPXVFZSA-N	-1	0	422.440	3.915	50	10		HHCARM
COc1cc(/C=C2/SC(=S)N([C@@H](CC(=O)[O-])c3ccccc3)C2=O)ccc1O	ZINC000035624316	569046662	/nfs/dbraw/zinc/04/66/62/569046662.db2.gz	RIRGBKAZVBXSCD-FBJMNJBLSA-N	-1	0	415.492	3.818	50	10		HHCARM
O=C([N-]N1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)c1ccccc1[N+](=O)[O-]	ZINC000001812257	569056190	/nfs/dbraw/zinc/05/61/90/569056190.db2.gz	TWKJQTUFPMMNHA-SXGWCWSVSA-N	-1	0	424.463	3.622	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000001899459	569057244	/nfs/dbraw/zinc/05/72/44/569057244.db2.gz	CBPOKMCVXUYVHW-GDNBJRDFSA-N	-1	0	418.452	3.921	50	10		HHCARM
Cc1oc2c(ccc([O-])c2CN2CCN(C)CC2)c(=O)c1-c1nc2ccccc2s1	ZINC000019708405	569064039	/nfs/dbraw/zinc/06/40/39/569064039.db2.gz	PBWPKUFFCSSKOM-UHFFFAOYSA-N	-1	0	421.522	3.831	50	10		HHCARM
COc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2cccc(OC)c2)cc1	ZINC000006811733	569136228	/nfs/dbraw/zinc/13/62/28/569136228.db2.gz	WWRJTXLRXSSRCD-UHFFFAOYSA-N	-1	0	408.454	3.828	50	10		HHCARM
COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)c1	ZINC000008753580	571112766	/nfs/dbraw/zinc/11/27/66/571112766.db2.gz	VXWSJVBUVZMLEU-PXNMLYILSA-N	-1	0	417.464	3.513	50	10		HHCARM
O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)=C([O-])N1c1ccccc1	ZINC000008860076	571128345	/nfs/dbraw/zinc/12/83/45/571128345.db2.gz	RWSRJUNGNDTLNN-ONPCLQBLSA-N	-1	0	420.515	3.776	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1-c1ccccc1F	ZINC000001171002	960460492	/nfs/dbraw/zinc/46/04/92/960460492.db2.gz	RCMHNEJGMGXNBO-VBKFSLOCSA-N	-1	0	409.417	3.587	50	10		HHCARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3c(OC)ccc4ccccc43)C2=O)cc1	ZINC000001197286	960460791	/nfs/dbraw/zinc/46/07/91/960460791.db2.gz	LMXCVEUXZFKFNC-DEDYPNTBSA-N	-1	0	416.433	3.519	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cccc(Br)c1	ZINC000001205029	132242358	/nfs/dbraw/zinc/24/23/58/132242358.db2.gz	NBGVCLOOXDMZAN-NTEUORMPSA-N	-1	0	405.635	3.769	50	10		HHCARM
COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(OC)c1OC	ZINC000001296103	132243844	/nfs/dbraw/zinc/24/38/44/132243844.db2.gz	PEWLIABXGYWUDH-RVDMUPIBSA-N	-1	0	412.467	3.692	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3C)C2=O)cc1	ZINC000004747755	132287241	/nfs/dbraw/zinc/28/72/41/132287241.db2.gz	VHMHPECKHDGZAQ-RCCKNPSSSA-N	-1	0	421.497	3.906	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1	ZINC000009035505	132335021	/nfs/dbraw/zinc/33/50/21/132335021.db2.gz	BAFWFQSCLZODCH-ATVHPVEESA-N	-1	0	417.377	3.830	50	10		HHCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)c1	ZINC000009311153	132338372	/nfs/dbraw/zinc/33/83/72/132338372.db2.gz	YZLCOGUCYSXARL-ATVHPVEESA-N	-1	0	417.377	3.830	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000002916663	536598258	/nfs/dbraw/zinc/59/82/58/536598258.db2.gz	XEWCDKUICJDGJJ-MDWZMJQESA-N	-1	0	407.278	3.833	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)[N-]C2=S)cc1	ZINC000009260353	536658786	/nfs/dbraw/zinc/65/87/86/536658786.db2.gz	YDHQXDMMXCJRHG-PDGQHHTCSA-N	-1	0	422.437	3.926	50	10		HHCARM
COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)c2c1	ZINC000002995027	537040281	/nfs/dbraw/zinc/04/02/81/537040281.db2.gz	YWEFKOHZFCMXEI-DEDYPNTBSA-N	-1	0	416.433	3.832	50	10		HHCARM
CCc1ccc(N2[N-]C(=O)/C(=C/c3ccc(OC(=O)c4cccs4)cc3)C2=O)cc1	ZINC000008461781	557791780	/nfs/dbraw/zinc/79/17/80/557791780.db2.gz	OYJLZPUKDQWXDT-RGEXLXHISA-N	-1	0	418.474	3.991	50	10		HHCARM
C[C@H]1CCc2c(sc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2C(N)=O)C1	ZINC000013062829	558510204	/nfs/dbraw/zinc/51/02/04/558510204.db2.gz	WQRWLLAPYYHPBR-VIFPVBQESA-N	-1	0	418.462	3.791	50	10		HHCARM
O=C([O-])CCc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cc1	ZINC000013251338	558527951	/nfs/dbraw/zinc/52/79/51/558527951.db2.gz	KKGGKDBHLIEARW-UHFFFAOYSA-N	-1	0	417.527	3.933	50	10		HHCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3c(O)ccc4cc([N+](=O)[O-])ccc43)C2=O)cc1C	ZINC000023410484	558557348	/nfs/dbraw/zinc/55/73/48/558557348.db2.gz	WLDZIRZDQRHVPH-ODLFYWEKSA-N	-1	0	403.394	3.532	50	10		HHCARM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S	ZINC000013689812	558571895	/nfs/dbraw/zinc/57/18/95/558571895.db2.gz	MSWWHXLVKDCHBE-BOFQVRIASA-N	-1	0	421.503	3.527	50	10		HHCARM
C[C@H](C(=O)Nc1ccccc1C(=O)[O-])N1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000028296926	558698987	/nfs/dbraw/zinc/69/89/87/558698987.db2.gz	IAUYHGGROVNFRM-GMROUXNLSA-N	-1	0	418.521	3.675	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCCC2	ZINC000017083192	558815626	/nfs/dbraw/zinc/81/56/26/558815626.db2.gz	FAYYDKAQHIXEFZ-UQZDFYISSA-N	-1	0	405.516	3.879	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCCC2	ZINC000017083191	558815657	/nfs/dbraw/zinc/81/56/57/558815657.db2.gz	FAYYDKAQHIXEFZ-DCNYZXSGSA-N	-1	0	405.516	3.879	50	10		HHCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)c1	ZINC000013775264	558868273	/nfs/dbraw/zinc/86/82/73/558868273.db2.gz	OSDMEWYRXMXCNK-FMIVXFBMSA-N	-1	0	421.236	3.677	50	10		HHCARM
CCCC[C@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000019707323	558969725	/nfs/dbraw/zinc/96/97/25/558969725.db2.gz	JZTFAHZEIWARHU-SWVCQTRFSA-N	-1	0	415.534	3.674	50	10		HHCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000101150114	559143620	/nfs/dbraw/zinc/14/36/20/559143620.db2.gz	GECHTFRVUIZVIP-NTEUORMPSA-N	-1	0	400.778	3.665	50	10		HHCARM
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccccc1OCC(=O)[O-]	ZINC000100147727	559164421	/nfs/dbraw/zinc/16/44/21/559164421.db2.gz	ANIYWSHFAAXLBD-CXUHLZMHSA-N	-1	0	404.344	3.975	50	10		HHCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(OC)c1	ZINC000004853852	559192090	/nfs/dbraw/zinc/19/20/90/559192090.db2.gz	IYTFLVDIBMQATD-DEDYPNTBSA-N	-1	0	421.497	3.825	50	10		HHCARM
COc1c(Br)cc(Br)cc1C=C1SC(=S)NC1=O	ZINC000001512766	569009376	/nfs/dbraw/zinc/00/93/76/569009376.db2.gz	RIAMROZUXKEIEA-FPYGCLRLSA-N	-1	0	409.124	3.709	50	10		HHCARM
Cc1ccc(S(=O)(=O)[N-]c2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)cs2)cc1	ZINC000011904362	559266058	/nfs/dbraw/zinc/26/60/58/559266058.db2.gz	IKVJERWODQDKBR-GFCCVEGCSA-N	-1	0	415.496	3.639	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N(CC)CC)cc3)C2=O)cc1	ZINC000100792939	559267418	/nfs/dbraw/zinc/26/74/18/559267418.db2.gz	INPQROGWNRRFOO-HKWRFOASSA-N	-1	0	406.486	3.674	50	10		HHCARM
CN(C)c1ccc(C=CC(O)=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000101375769	560793687	/nfs/dbraw/zinc/79/36/87/560793687.db2.gz	ZUIDECWFDUILAI-RCBDGTOLSA-N	-1	0	411.845	3.514	50	10		HHCARM
C[C@]12C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1ON(c1ccccc1)[C@H]2c1ccccc1O	ZINC000103561140	560843163	/nfs/dbraw/zinc/84/31/63/560843163.db2.gz	MMCZCRQDZVWCRP-AWRGLXIESA-N	-1	0	418.424	3.973	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S	ZINC000002697121	560885279	/nfs/dbraw/zinc/88/52/79/560885279.db2.gz	KGHMXHZVJWLQFP-QPEQYQDCSA-N	-1	0	424.297	3.995	50	10		HHCARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1C	ZINC000000753537	568471644	/nfs/dbraw/zinc/47/16/44/568471644.db2.gz	DDYVTRMVDWMPLT-XDHOZWIPSA-N	-1	0	403.394	3.933	50	10		HHCARM
COc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cc(Cl)cc(Cl)c2)C1=O	ZINC000220957725	568509159	/nfs/dbraw/zinc/50/91/59/568509159.db2.gz	MHXRHORNDGONRJ-MKMNVTDBSA-N	-1	0	407.278	3.833	50	10		HHCARM
O=S(=O)([N-]c1ccc(O)cc1OC(F)(F)F)c1ccccc1OC(F)(F)F	ZINC000225697811	568665538	/nfs/dbraw/zinc/66/55/38/568665538.db2.gz	WXUWAGGKUPFMQD-UHFFFAOYSA-N	-1	0	417.283	3.990	50	10		HHCARM
O=C1C[C@@H](c2ccco2)c2c(cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc32)O1	ZINC000096113815	568693383	/nfs/dbraw/zinc/69/33/83/568693383.db2.gz	XCHKXUQHUJHQBK-NSHDSACASA-N	-1	0	406.346	3.611	50	10	biogenic	HHCARM
COC(=O)C[C@H](c1ccco1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096222124	568705578	/nfs/dbraw/zinc/70/55/78/568705578.db2.gz	IWNCCTVWGNOEGA-CYBMUJFWSA-N	-1	0	422.389	3.865	50	10	biogenic	HHCARM
COc1ccc(/C(C)=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1	ZINC000002700268	568801587	/nfs/dbraw/zinc/80/15/87/568801587.db2.gz	HMMUMSIGGSGVEI-YBEGLDIGSA-N	-1	0	401.465	3.895	50	10		HHCARM
CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)ccc1O	ZINC000001240741	568907555	/nfs/dbraw/zinc/90/75/55/568907555.db2.gz	RCFPWOQJYCPTBJ-YBEGLDIGSA-N	-1	0	401.465	3.895	50	10		HHCARM
Cc1cccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)[N-]C2=S)c1	ZINC000038161350	568974145	/nfs/dbraw/zinc/97/41/45/568974145.db2.gz	IHVQZUIHIRKOCA-GDLUXTLDSA-N	-1	0	421.526	3.594	50	10		HHCARM
N=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C(=O)N=C2SC(C(F)(F)F)=NN21	ZINC000015822733	569010878	/nfs/dbraw/zinc/01/08/78/569010878.db2.gz	IOHMGBKCJFYWCZ-DGEMMVCDSA-N	-1	0	409.176	3.880	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(OCCCOc2ccccc2)c1	ZINC000006194166	569031353	/nfs/dbraw/zinc/03/13/53/569031353.db2.gz	DSRQDXUTSCWFBR-NKFKGCMQSA-N	-1	0	414.461	3.996	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000001898414	569057207	/nfs/dbraw/zinc/05/72/07/569057207.db2.gz	ZLRIKBKFZDQPKP-GDNBJRDFSA-N	-1	0	418.452	3.921	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccccc1	ZINC000019799234	569167908	/nfs/dbraw/zinc/16/79/08/569167908.db2.gz	ZREWORXGJRKQHE-ZHZULCJRSA-N	-1	0	415.405	3.635	50	10		HHCARM
CN1CCN(Cc2c([O-])ccc3c(=O)c(-c4nc5ccccc5s4)coc32)CC1	ZINC000019361174	569420336	/nfs/dbraw/zinc/42/03/36/569420336.db2.gz	CXQZZARGKLBVBX-UHFFFAOYSA-N	-1	0	407.495	3.523	50	10		HHCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000008914843	571150496	/nfs/dbraw/zinc/15/04/96/571150496.db2.gz	QIPQFSMDNVHAIB-YBEGLDIGSA-N	-1	0	407.338	3.950	50	10		HHCARM
O=C(Oc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1Cl)c1ccco1	ZINC000001120155	960458762	/nfs/dbraw/zinc/45/87/62/960458762.db2.gz	LRYHFXTXEKMBPW-RVDMUPIBSA-N	-1	0	408.797	3.614	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c2ccccc12	ZINC000001197508	960461266	/nfs/dbraw/zinc/46/12/66/960461266.db2.gz	WKOGODNGFUGKQA-CPNJWEJPSA-N	-1	0	402.475	3.988	50	10		HHCARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3ccc4c(c3)-c3ccccc3C4)C2=O)cc1	ZINC000016183729	962975990	/nfs/dbraw/zinc/97/59/90/962975990.db2.gz	LBLVHKQQHWMCJH-QRVIBDJDSA-N	-1	0	424.456	3.928	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)c(C)c1	ZINC000001174568	132240189	/nfs/dbraw/zinc/24/01/89/132240189.db2.gz	MUFUCYSKQWITTN-XMHGGMMESA-N	-1	0	401.491	3.925	50	10		HHCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccc(N(C)C)cc3)C2=O)c1	ZINC000001174680	132240302	/nfs/dbraw/zinc/24/03/02/132240302.db2.gz	KTBMGTDXKTYFSJ-RCCKNPSSSA-N	-1	0	414.465	3.518	50	10		HHCARM
COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1	ZINC000001879477	132248311	/nfs/dbraw/zinc/24/83/11/132248311.db2.gz	WDSBHYHZPZKTOS-OQLLNIDSSA-N	-1	0	400.818	3.536	50	10		HHCARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	ZINC000002268619	132250963	/nfs/dbraw/zinc/25/09/63/132250963.db2.gz	PIBZMBLAMDPJHS-XDHOZWIPSA-N	-1	0	422.510	3.512	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000002916122	132259632	/nfs/dbraw/zinc/25/96/32/132259632.db2.gz	DZYNWUJDRIPPDQ-RIYZIHGNSA-N	-1	0	421.703	3.934	50	10		HHCARM
COc1ccc(N2CCN(c3nc(-c4ccccc4)c(CC(=O)[O-])s3)CC2)cc1	ZINC000004052534	132270190	/nfs/dbraw/zinc/27/01/90/132270190.db2.gz	ANDDADRRZBTHAI-UHFFFAOYSA-N	-1	0	409.511	3.772	50	10		HHCARM
Cc1c(/C=C2/C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)c2ccccc2n1C	ZINC000004649285	132280741	/nfs/dbraw/zinc/28/07/41/132280741.db2.gz	VRABVERXOLTNLH-PDGQHHTCSA-N	-1	0	403.507	3.935	50	10		HHCARM
CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=N)S1	ZINC000019995262	519558717	/nfs/dbraw/zinc/55/87/17/519558717.db2.gz	APXNRFIMXZBAAX-AJUKGGFZSA-N	-1	0	408.439	3.920	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c2ccccc12	ZINC000004723785	536598370	/nfs/dbraw/zinc/59/83/70/536598370.db2.gz	ZJXRYRZDZDDANS-LDADJPATSA-N	-1	0	406.438	3.819	50	10		HHCARM
Cc1c(Cc2ccccc2)sc([N-]S(=O)(=O)c2ccc(C)cc2)c1C(N)=O	ZINC000000840972	557097774	/nfs/dbraw/zinc/09/77/74/557097774.db2.gz	MKXIWMVKCFSCIT-UHFFFAOYSA-N	-1	0	400.525	3.855	50	10		HHCARM
COc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000001009760	557141667	/nfs/dbraw/zinc/14/16/67/557141667.db2.gz	ZNFYXETVUVNULJ-MHWRWJLKSA-N	-1	0	401.465	3.808	50	10		HHCARM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O	ZINC000001133438	557200038	/nfs/dbraw/zinc/20/00/38/557200038.db2.gz	JZCYQSCPJZTYBP-UJFYRASASA-N	-1	0	415.423	3.551	50	10		HHCARM
O=C([O-])c1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000001232282	557249572	/nfs/dbraw/zinc/24/95/72/557249572.db2.gz	XCFQAKOEBFYOFV-VBKFSLOCSA-N	-1	0	412.492	3.615	50	10		HHCARM
COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc(Cl)c1OC	ZINC000004628687	557574178	/nfs/dbraw/zinc/57/41/78/557574178.db2.gz	PTKDJNZBNYDOCK-OVCLIPMQSA-N	-1	0	400.818	3.862	50	10		HHCARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O	ZINC000004660898	557577550	/nfs/dbraw/zinc/57/75/50/557577550.db2.gz	LVKCKEVJQWQYRD-UHFFFAOYSA-N	-1	0	407.447	3.580	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Br)cc1	ZINC000008430231	557788254	/nfs/dbraw/zinc/78/82/54/557788254.db2.gz	LRFJLOBRHNNIPH-ZROIWOOFSA-N	-1	0	420.650	3.681	50	10		HHCARM
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1O	ZINC000009349079	557838341	/nfs/dbraw/zinc/83/83/41/557838341.db2.gz	JHDIQDXWNHIDHH-MRXNPFEDSA-N	-1	0	417.259	3.697	50	10		HHCARM
CCCCC(CCCC)NC=C1C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O	ZINC000019943093	558314255	/nfs/dbraw/zinc/31/42/55/558314255.db2.gz	KBWWUQJUSZSZHI-CYVLTUHYSA-N	-1	0	401.507	3.891	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(OC)c1	ZINC000013344058	558530351	/nfs/dbraw/zinc/53/03/51/558530351.db2.gz	PPFYHAIOGBIYBS-SXGWCWSVSA-N	-1	0	401.465	3.808	50	10		HHCARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1C	ZINC000013496677	558535037	/nfs/dbraw/zinc/53/50/37/558535037.db2.gz	TXYAVTAGJAIFOI-UNOMPAQXSA-N	-1	0	403.438	3.658	50	10		HHCARM
O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S	ZINC000013682171	558567296	/nfs/dbraw/zinc/56/72/96/558567296.db2.gz	JVHBCVSYFPWMSA-DAQNXSASSA-N	-1	0	423.515	3.903	50	10		HHCARM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc([C@H](C)CC)cc3)C2=O)ccc1O	ZINC000013689247	558571542	/nfs/dbraw/zinc/57/15/42/558571542.db2.gz	HHBWYUJXLBEUPU-IIMQCXAKSA-N	-1	0	408.454	3.971	50	10		HHCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000014010845	558613347	/nfs/dbraw/zinc/61/33/47/558613347.db2.gz	UOIKHWRYQSQBMU-RAXLEYEMSA-N	-1	0	404.253	3.726	50	10		HHCARM
COc1ccc2ccc(OC)c(/C=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c2c1	ZINC000015228164	558728997	/nfs/dbraw/zinc/72/89/97/558728997.db2.gz	DQSZVSBAWIWNHF-CPNJWEJPSA-N	-1	0	408.454	3.652	50	10		HHCARM
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000016196172	558778112	/nfs/dbraw/zinc/77/81/12/558778112.db2.gz	UFZGKGZGKBXPJC-YVLHZVERSA-N	-1	0	415.492	3.560	50	10		HHCARM
CC1=NN(c2cccc(Br)c2)C(=O)/C1=C/c1ccccc1OCC(=O)[O-]	ZINC000100147730	559164485	/nfs/dbraw/zinc/16/44/85/559164485.db2.gz	ZPLCMDVLHIIMKM-CXUHLZMHSA-N	-1	0	415.243	3.719	50	10		HHCARM
Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=O)cc1C	ZINC000005443055	560587785	/nfs/dbraw/zinc/58/77/85/560587785.db2.gz	IFUASAXSTZENKM-XDHOZWIPSA-N	-1	0	402.406	3.723	50	10		HHCARM
Cc1cc(-n2c(C)cc(/C=C3/CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)c2C)no1	ZINC000097996069	560758990	/nfs/dbraw/zinc/75/89/90/560758990.db2.gz	ZBYLJAORCQRHAT-GDNBJRDFSA-N	-1	0	416.437	3.743	50	10		HHCARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCC(Cl)=N2)cc1	ZINC000005671158	560773036	/nfs/dbraw/zinc/77/30/36/560773036.db2.gz	DIPOQRMJQHHHPP-MHWRWJLKSA-N	-1	0	401.253	3.564	50	10		HHCARM
O=C1C[C@H](c2ccco2)c2c(cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc32)O1	ZINC000096113816	568693362	/nfs/dbraw/zinc/69/33/62/568693362.db2.gz	XCHKXUQHUJHQBK-LLVKDONJSA-N	-1	0	406.346	3.611	50	10	biogenic	HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	ZINC000096257922	568712932	/nfs/dbraw/zinc/71/29/32/568712932.db2.gz	OWFMYLGFBMUNKY-GIDUJCDVSA-N	-1	0	407.278	3.833	50	10		HHCARM
O=C1[N-]C(=O)C(=CC2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2)C(=O)N1	ZINC000003195798	568861014	/nfs/dbraw/zinc/86/10/14/568861014.db2.gz	IUUQTHQFRZERRH-JOCHJYFZSA-N	-1	0	422.440	3.915	50	10		HHCARM
C[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc4ccccc4c3)c2C(N)=O)C1	ZINC000012619068	568872405	/nfs/dbraw/zinc/87/24/05/568872405.db2.gz	IBDZITCYCZWUSI-GFCCVEGCSA-N	-1	0	400.525	3.926	50	10		HHCARM
COc1ccc2cc(-c3c4c[nH]nc4nc4c5ccc(O)c([O-])c5oc43)c(=O)[nH]c2c1	ZINC000217879487	568917459	/nfs/dbraw/zinc/91/74/59/568917459.db2.gz	YBCWLBLMCRQEIB-UHFFFAOYSA-N	-1	0	414.377	3.786	50	10	biogenic	HHCARM
CCOc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCCCC3)cc1	ZINC000006858490	569156962	/nfs/dbraw/zinc/15/69/62/569156962.db2.gz	OYFQWTPUSZVGRZ-UHFFFAOYSA-N	-1	0	408.545	3.706	50	10		HHCARM
O=C([O-])c1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000002451725	569405589	/nfs/dbraw/zinc/40/55/89/569405589.db2.gz	PUWHBLFXJWGIFD-UVTDQMKNSA-N	-1	0	418.521	3.676	50	10		HHCARM
COc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2ccccc2OC)cc1	ZINC000009094811	571220514	/nfs/dbraw/zinc/22/05/14/571220514.db2.gz	HRGYIRQOZYTGIQ-UHFFFAOYSA-N	-1	0	408.454	3.828	50	10		HHCARM
COc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1	ZINC000009468186	571261240	/nfs/dbraw/zinc/26/12/40/571261240.db2.gz	CZKYHVMNYPHXRL-UHFFFAOYSA-N	-1	0	403.485	3.578	50	10		HHCARM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc3cccnc23)SC1=S	ZINC000009484525	571262291	/nfs/dbraw/zinc/26/22/91/571262291.db2.gz	MYAFUDZOIRCCLI-JFBXQDQPSA-N	-1	0	404.538	3.642	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccccc3Br)o2)SC1=S	ZINC000013343745	962388994	/nfs/dbraw/zinc/38/89/94/962388994.db2.gz	ROBUSKIPRYRSEN-NTUHNPAUSA-N	-1	0	424.297	3.995	50	10		HHCARM
COc1ccc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000015659368	962833609	/nfs/dbraw/zinc/83/36/09/962833609.db2.gz	HIDMRGKPCRILQV-ZGCWVLQWSA-N	-1	0	409.423	3.831	50	10		HHCARM
CCOc1cccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)C(=O)[N-]C2=S)c1	ZINC000001203319	132242165	/nfs/dbraw/zinc/24/21/65/132242165.db2.gz	YYJZSYORBOLLSJ-ZHZULCJRSA-N	-1	0	423.538	3.763	50	10		HHCARM
Cc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(Br)c2)C1=O	ZINC000001203312	132242169	/nfs/dbraw/zinc/24/21/69/132242169.db2.gz	XQWOOZXNZDXKIA-OQLLNIDSSA-N	-1	0	401.285	3.589	50	10		HHCARM
Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21	ZINC000002278444	132251367	/nfs/dbraw/zinc/25/13/67/132251367.db2.gz	MMWOYHJVFNTBKI-MHWRWJLKSA-N	-1	0	424.254	3.607	50	10		HHCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(F)cc4)o3)C2=O)cc1	ZINC000004599565	132279928	/nfs/dbraw/zinc/27/99/28/132279928.db2.gz	KCZLJRJKWZOCCG-PDGQHHTCSA-N	-1	0	406.369	3.761	50	10		HHCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C	ZINC000004603758	132280181	/nfs/dbraw/zinc/28/01/81/132280181.db2.gz	ZBMIOHAZFWKBFQ-YBEGLDIGSA-N	-1	0	414.845	3.802	50	10		HHCARM
Cc1c(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1C	ZINC000004711416	132284744	/nfs/dbraw/zinc/28/47/44/132284744.db2.gz	YUBPPZIHWNLLIA-BOPFTXTBSA-N	-1	0	409.898	3.971	50	10		HHCARM
Cc1ccccc1-n1cccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(F)c2)C1=O	ZINC000004711354	132284747	/nfs/dbraw/zinc/28/47/47/132284747.db2.gz	LEBUKFVUQCYXEN-QGOAFFKASA-N	-1	0	405.454	3.756	50	10		HHCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNc2ccc(N(CC)CC)cc2)C1=O	ZINC000004834450	132289964	/nfs/dbraw/zinc/28/99/64/132289964.db2.gz	MYOZOPXTSIPVMP-SDXDJHTJSA-N	-1	0	422.485	3.510	50	10		HHCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c5c(c3)CCCN5CCC4)C2=O)cc1	ZINC000009477832	132340311	/nfs/dbraw/zinc/34/03/11/132340311.db2.gz	XXJNFMPULMCXBX-ZHZULCJRSA-N	-1	0	417.465	3.901	50	10		HHCARM
COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)[O-])c3)C2=O)c1	ZINC000032707958	524800423	/nfs/dbraw/zinc/80/04/23/524800423.db2.gz	LNOSYTRRPUMQEO-LZYBPNLTSA-N	-1	0	417.464	3.513	50	10		HHCARM
CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S	ZINC000013736358	535259328	/nfs/dbraw/zinc/25/93/28/535259328.db2.gz	LPMHWPBUPFMTRI-KTZOAPACSA-N	-1	0	404.557	3.770	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O	ZINC000001186424	535659537	/nfs/dbraw/zinc/65/95/37/535659537.db2.gz	YBAOFRIMVXDBLE-OVCLIPMQSA-N	-1	0	414.845	3.728	50	10		HHCARM
COc1ccc(N2C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C(=O)[N-]C2=S)cc1	ZINC000001197694	536657729	/nfs/dbraw/zinc/65/77/29/536657729.db2.gz	HIDMRGKPCRILQV-ANSBUGDOSA-N	-1	0	409.423	3.831	50	10		HHCARM
COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O	ZINC000001192508	537042151	/nfs/dbraw/zinc/04/21/51/537042151.db2.gz	KTEMWRPWRGHLIL-GHRIWEEISA-N	-1	0	402.406	3.523	50	10		HHCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000001816621	557290447	/nfs/dbraw/zinc/29/04/47/557290447.db2.gz	JQBXGMWSNAAQLK-ZROIWOOFSA-N	-1	0	404.425	3.531	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2cccn2-c2cccc(Br)c2)SC1=S	ZINC000009264946	557834046	/nfs/dbraw/zinc/83/40/46/557834046.db2.gz	JGBNTAYPWQMRLC-MDWZMJQESA-N	-1	0	423.313	3.526	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2cc(Cc3ccccc3Cl)ccc2O)SC1=S	ZINC000009296619	557835173	/nfs/dbraw/zinc/83/51/73/557835173.db2.gz	VYIFANUQCQAGLC-CXUHLZMHSA-N	-1	0	419.911	3.922	50	10		HHCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1	ZINC000009323843	557837046	/nfs/dbraw/zinc/83/70/46/557837046.db2.gz	OMGGGFKKPSAWGL-UDWIEESQSA-N	-1	0	420.396	3.660	50	10		HHCARM
COc1ccc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)c1	ZINC000012407764	558398746	/nfs/dbraw/zinc/39/87/46/558398746.db2.gz	QKIQPMOFPASYSF-INIZCTEOSA-N	-1	0	408.454	3.880	50	10		HHCARM
CCOc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OC	ZINC000013750028	558589429	/nfs/dbraw/zinc/58/94/29/558589429.db2.gz	RHUAIAQPNUZEBC-VBKFSLOCSA-N	-1	0	409.529	3.940	50	10		HHCARM
COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1	ZINC000013943193	558605266	/nfs/dbraw/zinc/60/52/66/558605266.db2.gz	STMXYSIPULROQB-DEDYPNTBSA-N	-1	0	418.424	3.875	50	10		HHCARM
COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccc(C)cc4)C3=O)o2)c1	ZINC000017146071	558824119	/nfs/dbraw/zinc/82/41/19/558824119.db2.gz	BXLJPPCDQQWLSW-UYRXBGFRSA-N	-1	0	402.406	3.503	50	10		HHCARM
CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(F)cc4)C3=O)o2)cc1	ZINC000033342637	559064871	/nfs/dbraw/zinc/06/48/71/559064871.db2.gz	AHPNYWBZDZTGLB-CPNJWEJPSA-N	-1	0	420.396	3.724	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)SC1=S	ZINC000005636410	560635632	/nfs/dbraw/zinc/63/56/32/560635632.db2.gz	QTPUSRCZVSTLDV-CXUHLZMHSA-N	-1	0	403.456	3.691	50	10		HHCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000101148749	560788720	/nfs/dbraw/zinc/78/87/20/560788720.db2.gz	FMTLOTLKLXBCHK-NTEUORMPSA-N	-1	0	401.766	3.875	50	10		HHCARM
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000000625753	568748412	/nfs/dbraw/zinc/74/84/12/568748412.db2.gz	SBPMMBUKAUKVSS-UHFFFAOYSA-N	-1	0	402.497	3.597	50	10		HHCARM
O=C(Oc1cccc(/C=C2\C(=O)[N-]N(c3cccc(F)c3)C2=O)c1)c1cccs1	ZINC000000983923	568760537	/nfs/dbraw/zinc/76/05/37/568760537.db2.gz	OJJKOJXPKLKTLO-GZTJUZNOSA-N	-1	0	408.410	3.568	50	10		HHCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000002700994	568801778	/nfs/dbraw/zinc/80/17/78/568801778.db2.gz	SKZGBORSOYQUSU-CDCQXCROSA-N	-1	0	418.452	3.919	50	10		HHCARM
CN1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O	ZINC000001202922	568823687	/nfs/dbraw/zinc/82/36/87/568823687.db2.gz	PLQGFZBEGDBZGS-LICLKQGHSA-N	-1	0	404.382	3.530	50	10		HHCARM
O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1	ZINC000001232279	568880474	/nfs/dbraw/zinc/88/04/74/568880474.db2.gz	LJDHTCKGKNAOGJ-FOWTUZBSSA-N	-1	0	412.492	3.615	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c(OC)c1	ZINC000001261645	568909316	/nfs/dbraw/zinc/90/93/16/568909316.db2.gz	YRVWKCWCAKKGEH-SXGWCWSVSA-N	-1	0	401.465	3.808	50	10		HHCARM
COc1cccc(/C=C2/SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1OC	ZINC000001302695	568913346	/nfs/dbraw/zinc/91/33/46/568913346.db2.gz	OYWRMRKBZMSJHW-XNTDXEJSSA-N	-1	0	401.465	3.808	50	10		HHCARM
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000001467587	568991848	/nfs/dbraw/zinc/99/18/48/568991848.db2.gz	FDILMQCETMKSDQ-UHFFFAOYSA-N	-1	0	416.437	3.916	50	10		HHCARM
O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1	ZINC000001773968	569052459	/nfs/dbraw/zinc/05/24/59/569052459.db2.gz	UJYVFXUXYFDAFT-UVTDQMKNSA-N	-1	0	418.521	3.676	50	10		HHCARM
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c1[O-]	ZINC000036384723	569159747	/nfs/dbraw/zinc/15/97/47/569159747.db2.gz	XCNGIKAKVHVOMZ-OVCLIPMQSA-N	-1	0	402.453	3.710	50	10		HHCARM
O=C1[N-]C(=O)N(C[C@@H]2CCCO2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21	ZINC000009319244	571247856	/nfs/dbraw/zinc/24/78/56/571247856.db2.gz	IWPFFZLFKIIMGC-RSZPVBOMSA-N	-1	0	400.434	3.634	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1	ZINC000002216859	960470268	/nfs/dbraw/zinc/47/02/68/960470268.db2.gz	CLUITWRKEJTPHP-RGEXLXHISA-N	-1	0	408.527	3.585	50	10		HHCARM
CCOc1ccc(N2C(=O)/C(=C\c3cn(CC)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000002195689	960470777	/nfs/dbraw/zinc/47/07/77/960470777.db2.gz	IAIGXHSPRIPTCO-UYRXBGFRSA-N	-1	0	419.506	3.891	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cccn1-c1ccc([N+](=O)[O-])cc1	ZINC000015722785	962850242	/nfs/dbraw/zinc/85/02/42/962850242.db2.gz	HEHGHBMIDCFGGB-AQTBWJFISA-N	-1	0	402.366	3.892	50	10		HHCARM
CN1c2ccccc2C(C)(C)/C1=C\C=C1/SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000097990680	969182754	/nfs/dbraw/zinc/18/27/54/969182754.db2.gz	WJCKMMKGWDUHOL-MBKDJOQRSA-N	-1	0	402.541	3.907	50	10		HHCARM
CC[C@H](C)[C@H]([NH2+]Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C(=O)[O-]	ZINC000098038079	969186313	/nfs/dbraw/zinc/18/63/13/969186313.db2.gz	CNAPTTTXPWTFMW-QKKBWIMNSA-N	-1	0	409.482	3.987	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1	ZINC000001083905	132236659	/nfs/dbraw/zinc/23/66/59/132236659.db2.gz	BWUVMHUXOQGMPB-LFIBNONCSA-N	-1	0	415.243	3.514	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Cl)cc1	ZINC000001203275	132242184	/nfs/dbraw/zinc/24/21/84/132242184.db2.gz	ZAYQGYOQVUVQFZ-RIYZIHGNSA-N	-1	0	421.703	3.934	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	ZINC000001203854	132242322	/nfs/dbraw/zinc/24/23/22/132242322.db2.gz	PURNIXMNDFICBR-RIYZIHGNSA-N	-1	0	416.187	3.864	50	10		HHCARM
CCOc1c(Cl)cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000001213805	132242720	/nfs/dbraw/zinc/24/27/20/132242720.db2.gz	JBIQBDXZGCTYIO-OQLLNIDSSA-N	-1	0	414.845	3.722	50	10		HHCARM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000002281490	132251387	/nfs/dbraw/zinc/25/13/87/132251387.db2.gz	QFDPJJVKNUPVJL-MHWRWJLKSA-N	-1	0	404.344	3.771	50	10		HHCARM
C[C@H](NC=C1C(=O)[N-]C(=S)N(c2cccc3ccccc32)C1=O)c1ccccc1	ZINC000002372555	132253481	/nfs/dbraw/zinc/25/34/81/132253481.db2.gz	XVUWYJJVLUXNSU-NOMGLIDZSA-N	-1	0	401.491	3.822	50	10		HHCARM
Cc1ccc(C)c(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)c1	ZINC000004676277	132282294	/nfs/dbraw/zinc/28/22/94/132282294.db2.gz	QRZJNWPEOSNYQI-CPNJWEJPSA-N	-1	0	417.490	3.631	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000006418018	132310852	/nfs/dbraw/zinc/31/08/52/132310852.db2.gz	LCUMLJSQONOUBY-QGOAFFKASA-N	-1	0	412.877	3.765	50	10		HHCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1	ZINC000006886426	132319702	/nfs/dbraw/zinc/31/97/02/132319702.db2.gz	UFRXRIRIFYSKBH-PDGQHHTCSA-N	-1	0	417.377	3.830	50	10		HHCARM
COc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)c(OC)c1	ZINC000032707949	523412805	/nfs/dbraw/zinc/41/28/05/523412805.db2.gz	CTSOEWGWMBLTBK-FRKPEAEDSA-N	-1	0	417.464	3.513	50	10		HHCARM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)cc1	ZINC000005941004	536655491	/nfs/dbraw/zinc/65/54/91/536655491.db2.gz	TYLAJBPDXWUYAF-OQLLNIDSSA-N	-1	0	422.293	3.746	50	10		HHCARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	ZINC000001227906	557249113	/nfs/dbraw/zinc/24/91/13/557249113.db2.gz	COHIEJLWRGREHV-RDQDRAATSA-N	-1	0	400.319	3.760	50	10		HHCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000002299249	557335429	/nfs/dbraw/zinc/33/54/29/557335429.db2.gz	YDVVFXGGKIVZLQ-ZROIWOOFSA-N	-1	0	404.425	3.531	50	10		HHCARM
Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CCC(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1	ZINC000002381865	557342220	/nfs/dbraw/zinc/34/22/20/557342220.db2.gz	WEGNOMAYESZSQM-OQLLNIDSSA-N	-1	0	418.452	3.839	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000004611976	557572189	/nfs/dbraw/zinc/57/21/89/557572189.db2.gz	SZFXIWSPFITWIU-POPZOMSYSA-N	-1	0	403.500	3.511	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000004611977	557572243	/nfs/dbraw/zinc/57/22/43/557572243.db2.gz	SZFXIWSPFITWIU-SEQRPAEDSA-N	-1	0	403.500	3.511	50	10		HHCARM
CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S	ZINC000005835087	557676897	/nfs/dbraw/zinc/67/68/97/557676897.db2.gz	COHIEJLWRGREHV-VNKGSWCUSA-N	-1	0	400.319	3.760	50	10	in-vitro	HHCARM
CCc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c2C)cc1	ZINC000009264943	557834061	/nfs/dbraw/zinc/83/40/61/557834061.db2.gz	KASNXRSOFYDPSL-LICLKQGHSA-N	-1	0	400.525	3.942	50	10		HHCARM
CCOc1cc(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)ccc1O	ZINC000013122610	558517455	/nfs/dbraw/zinc/51/74/55/558517455.db2.gz	FESYXZABNCGZDN-NIFLVVHWSA-N	-1	0	415.492	3.818	50	10		HHCARM
CCOc1cc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)ccc1O	ZINC000013122609	558517559	/nfs/dbraw/zinc/51/75/59/558517559.db2.gz	FESYXZABNCGZDN-ZFOVBUMHSA-N	-1	0	415.492	3.818	50	10		HHCARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(O)cc1	ZINC000013539872	558537459	/nfs/dbraw/zinc/53/74/59/558537459.db2.gz	QZIHQVKQFANYTL-NDENLUEZSA-N	-1	0	419.412	3.605	50	10		HHCARM
COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000013898609	558601038	/nfs/dbraw/zinc/60/10/38/558601038.db2.gz	NCGDYMXELPWCLV-DHDCSXOGSA-N	-1	0	402.453	3.710	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1OC	ZINC000014011158	558613549	/nfs/dbraw/zinc/61/35/49/558613549.db2.gz	SVBSPEYQOPMVLV-LDADJPATSA-N	-1	0	408.454	3.884	50	10		HHCARM
COc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1[O-]	ZINC000015010750	558700135	/nfs/dbraw/zinc/70/01/35/558700135.db2.gz	JFUMSUAYXIWNSS-YBEGLDIGSA-N	-1	0	416.480	3.753	50	10		HHCARM
COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(C)cc2C)C1=O	ZINC000015013464	558701267	/nfs/dbraw/zinc/70/12/67/558701267.db2.gz	AQRKYPPGOMXWDX-GDNBJRDFSA-N	-1	0	400.887	3.797	50	10		HHCARM
CC(=O)Nc1ccc(N=Cc2c(C)[n-]n(-c3ccc(C)cc3C)c2=O)c([N+](=O)[O-])c1	ZINC000100507477	559135966	/nfs/dbraw/zinc/13/59/66/559135966.db2.gz	IJCRHGQDHWZYTJ-GZTJUZNOSA-N	-1	0	407.430	3.889	50	10		HHCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CN3c4ccc(F)cc4CC[C@@H]3C)C2=O)c1C	ZINC000101328574	559146475	/nfs/dbraw/zinc/14/64/75/559146475.db2.gz	GOCUMPODTJLOEA-HIXWQLQUSA-N	-1	0	407.445	3.751	50	10		HHCARM
Cn1nccc1-c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCC1	ZINC000095480789	559163487	/nfs/dbraw/zinc/16/34/87/559163487.db2.gz	KHLFZYIKNFLFCI-UHFFFAOYSA-N	-1	0	405.414	3.963	50	10		HHCARM
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3O)[C@@H]2C(=O)N1c1ccccc1F	ZINC000136386516	559276880	/nfs/dbraw/zinc/27/68/80/559276880.db2.gz	OHQXLPGMIWWSJL-PCCBWWKXSA-N	-1	0	404.397	3.582	50	10		HHCARM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1	ZINC000103682388	560843881	/nfs/dbraw/zinc/84/38/81/560843881.db2.gz	CCKOFBYXPRVBJB-LCYFTJDESA-N	-1	0	422.293	3.746	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc43)C(=O)[N-]C2=S)cc1	ZINC000015659366	560855743	/nfs/dbraw/zinc/85/57/43/560855743.db2.gz	FNGRSUDVGCYULC-UYRXBGFRSA-N	-1	0	418.474	3.688	50	10		HHCARM
Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@H](c2ccc(N(C)C)cc2)C1)CCC3	ZINC000012296334	568462565	/nfs/dbraw/zinc/46/25/65/568462565.db2.gz	BGDZFIMTHYEKTL-SFHVURJKSA-N	-1	0	403.482	3.800	50	10	biogenic	HHCARM
Cc1cc([O-])c(S(=O)(=O)c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1	ZINC000001085788	568768090	/nfs/dbraw/zinc/76/80/90/568768090.db2.gz	KVEHADLCINFIAP-UHFFFAOYSA-N	-1	0	417.508	3.643	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S	ZINC000002566910	568784381	/nfs/dbraw/zinc/78/43/81/568784381.db2.gz	CLHFOCNNCZBREZ-AWNIVKPZSA-N	-1	0	424.843	3.794	50	10		HHCARM
CCCCn1c(=O)c(C2=NN[C@H](c3ccc(N(CC)CC)cc3)C2)c([O-])[nH]c1=S	ZINC000015834768	569012875	/nfs/dbraw/zinc/01/28/75/569012875.db2.gz	QALQFNXBXUQAFB-INIZCTEOSA-N	-1	0	415.563	3.696	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCCCOc2ccccc2)cc1	ZINC000006194116	569031293	/nfs/dbraw/zinc/03/12/93/569031293.db2.gz	YGSOKJAQCRTUKG-NKFKGCMQSA-N	-1	0	414.461	3.996	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C\c2cc(Br)ccc2F)SC1=S	ZINC000006210112	569033079	/nfs/dbraw/zinc/03/30/79/569033079.db2.gz	MESAUWIZYOVVNX-YRNVUSSQSA-N	-1	0	404.282	3.654	50	10		HHCARM
O=C([O-])c1cc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)ccc1O	ZINC000006660759	569084858	/nfs/dbraw/zinc/08/48/58/569084858.db2.gz	WQVLIUDTROOPOU-CAOOACKPSA-N	-1	0	411.460	3.815	50	10		HHCARM
COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Cl)c1OC	ZINC000013914916	569258202	/nfs/dbraw/zinc/25/82/02/569258202.db2.gz	XUHNFWAUECSSFY-CHHVJCJISA-N	-1	0	400.818	3.862	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccc(Cl)cc1	ZINC000002218284	569311918	/nfs/dbraw/zinc/31/19/18/569311918.db2.gz	BFSUWRJHRNPRPM-UNOMPAQXSA-N	-1	0	423.831	3.995	50	10		HHCARM
O=C([O-])CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000002299248	569369702	/nfs/dbraw/zinc/36/97/02/569369702.db2.gz	YDVVFXGGKIVZLQ-NTEUORMPSA-N	-1	0	404.425	3.531	50	10		HHCARM
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(N4CCOCC4)=NC3=O)o2)cc1Cl	ZINC000002411148	569396828	/nfs/dbraw/zinc/39/68/28/569396828.db2.gz	XKRNDTWQJCCKTO-MHWRWJLKSA-N	-1	0	418.858	3.601	50	10		HHCARM
COc1ccc(Br)cc1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000013343534	569410706	/nfs/dbraw/zinc/41/07/06/569410706.db2.gz	MRUMJWXOGBWVSQ-WQLSENKSSA-N	-1	0	416.318	3.524	50	10		HHCARM
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(O)c(Cl)c2)C(=O)[N-]C1=S	ZINC000004689806	132283642	/nfs/dbraw/zinc/28/36/42/132283642.db2.gz	DDOYMGHNMOMNDY-YRNVUSSQSA-N	-1	0	407.278	3.839	50	10		HHCARM
Cc1c(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc2n1C	ZINC000004711333	132284820	/nfs/dbraw/zinc/28/48/20/132284820.db2.gz	APDQPQODWOJTSG-BOPFTXTBSA-N	-1	0	409.898	3.971	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C\c3cc4c5c(c3)CCCN5CCC4)C(=O)[N-]C2=S)cc1	ZINC000004819387	132289370	/nfs/dbraw/zinc/28/93/70/132289370.db2.gz	MCOWCEBRLRRKGR-ZHZULCJRSA-N	-1	0	417.534	3.525	50	10		HHCARM
CCOc1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)cc1	ZINC000005924698	132308477	/nfs/dbraw/zinc/30/84/77/132308477.db2.gz	QRZATWCUDFXIDI-RGEXLXHISA-N	-1	0	417.490	3.982	50	10		HHCARM
CSC1=NSC2=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C(=N)N12	ZINC000020154735	525344927	/nfs/dbraw/zinc/34/49/27/525344927.db2.gz	SZMURRCYPVIHAT-GHZHVEGCSA-N	-1	0	412.452	3.584	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N(CC)CC)cc3)C2=O)cc1	ZINC000009089735	536184252	/nfs/dbraw/zinc/18/42/52/536184252.db2.gz	INPQROGWNRRFOO-HMMYKYKNSA-N	-1	0	406.486	3.674	50	10		HHCARM
COC(=O)c1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1	ZINC000001197262	536604503	/nfs/dbraw/zinc/60/45/03/536604503.db2.gz	QWZHHNVRSANILJ-OQLLNIDSSA-N	-1	0	400.843	3.798	50	10		HHCARM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O	ZINC000001133440	557199979	/nfs/dbraw/zinc/19/99/79/557199979.db2.gz	JZCYQSCPJZTYBP-LKBVRNOZSA-N	-1	0	415.423	3.551	50	10		HHCARM
CCCCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1OC	ZINC000002381866	557342289	/nfs/dbraw/zinc/34/22/89/557342289.db2.gz	LYRIVPRAGQILEK-FOWTUZBSSA-N	-1	0	409.529	3.940	50	10		HHCARM
O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)[N-]c3cccc4cccnc43)ccc21	ZINC000003832807	557499296	/nfs/dbraw/zinc/49/92/96/557499296.db2.gz	MEYQDWAOCLDIAW-UHFFFAOYSA-N	-1	0	414.442	3.811	50	10	biogenic	HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCCOc2ccccc2)cc1	ZINC000004501958	557560375	/nfs/dbraw/zinc/56/03/75/557560375.db2.gz	UBJSTPBOBJGDCT-XLNRJJMWSA-N	-1	0	400.434	3.606	50	10		HHCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)s3)C2=O)c1	ZINC000004704495	557584499	/nfs/dbraw/zinc/58/44/99/557584499.db2.gz	WXJJHSOGOSIREW-JYRVWZFOSA-N	-1	0	405.273	3.794	50	10		HHCARM
O=C([O-])CCCCCN1C(=O)C(=Cc2c[nH]nc2-c2ccccc2)SC1=S	ZINC000004980824	557620107	/nfs/dbraw/zinc/62/01/07/557620107.db2.gz	ZDSAUKMLMYPJKP-PTNGSMBKSA-N	-1	0	401.513	3.923	50	10		HHCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S	ZINC000008763408	557805921	/nfs/dbraw/zinc/80/59/21/557805921.db2.gz	DBOXGNDYMJFDSO-NCPSJORJSA-N	-1	0	418.452	3.919	50	10		HHCARM
Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1	ZINC000019925550	558307837	/nfs/dbraw/zinc/30/78/37/558307837.db2.gz	VKGNBENPIWSSNL-MTJSOVHGSA-N	-1	0	405.429	3.993	50	10		HHCARM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1	ZINC000013477228	558534186	/nfs/dbraw/zinc/53/41/86/558534186.db2.gz	QSWTXTKXZXIVEJ-AQTBWJFISA-N	-1	0	414.303	3.757	50	10		HHCARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1c(O)ccc2ccccc21	ZINC000013477240	558534240	/nfs/dbraw/zinc/53/42/40/558534240.db2.gz	BEGFRCPLVIVCPH-BOPFTXTBSA-N	-1	0	409.239	3.769	50	10		HHCARM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)o1	ZINC000013546440	558537787	/nfs/dbraw/zinc/53/77/87/558537787.db2.gz	YVOWNKHYKPDEJW-PDGQHHTCSA-N	-1	0	417.377	3.830	50	10		HHCARM
CCCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(Br)cc2)C1=O	ZINC000013562081	558540543	/nfs/dbraw/zinc/54/05/43/558540543.db2.gz	HKOSWRKZHFMOBJ-VBKFSLOCSA-N	-1	0	401.260	3.699	50	10		HHCARM
COc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1	ZINC000004456444	558590128	/nfs/dbraw/zinc/59/01/28/558590128.db2.gz	LKGYPZUZOPLRRE-ZROIWOOFSA-N	-1	0	405.237	3.664	50	10		HHCARM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)ccc1Br	ZINC000004471681	558599316	/nfs/dbraw/zinc/59/93/16/558599316.db2.gz	LNFXSWVPKDJALC-ZROIWOOFSA-N	-1	0	403.207	3.563	50	10		HHCARM
CSc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000014010811	558613354	/nfs/dbraw/zinc/61/33/54/558613354.db2.gz	ZOGREBPWICYTEH-GDNBJRDFSA-N	-1	0	417.284	3.837	50	10		HHCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1Br	ZINC000016667707	558798521	/nfs/dbraw/zinc/79/85/21/558798521.db2.gz	YPXGYMPRVZXXRU-ZSOIEALJSA-N	-1	0	420.694	3.630	50	10		HHCARM
COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O	ZINC000017058924	558813513	/nfs/dbraw/zinc/81/35/13/558813513.db2.gz	FSZAQFOWNBWMID-OQLLNIDSSA-N	-1	0	410.426	3.836	50	10		HHCARM
Cc1ccccc1Cn1cccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(F)cc2)C1=O	ZINC000013688143	558855147	/nfs/dbraw/zinc/85/51/47/558855147.db2.gz	FYEOJCSPCAGMRA-MOSHPQCFSA-N	-1	0	403.413	3.650	50	10		HHCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100148683	559130680	/nfs/dbraw/zinc/13/06/80/559130680.db2.gz	DZVXVGAGDNGLGG-SXGWCWSVSA-N	-1	0	401.766	3.875	50	10		HHCARM
COc1cc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCCC5)=NN2)ccc1O	ZINC000012321364	568470919	/nfs/dbraw/zinc/47/09/19/568470919.db2.gz	LKELZSHJFWIVCP-MRXNPFEDSA-N	-1	0	420.465	3.839	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)SC1=S	ZINC000002897831	568815018	/nfs/dbraw/zinc/81/50/18/568815018.db2.gz	SDIYUXPHUZQZOX-NTUHNPAUSA-N	-1	0	424.297	3.995	50	10		HHCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1OCc1cccc2ccccc21	ZINC000001215708	568834455	/nfs/dbraw/zinc/83/44/55/568834455.db2.gz	CMPOQGKJUKZWNN-UHFFFAOYSA-N	-1	0	416.433	3.567	50	10		HHCARM
O=C([O-])c1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)c1	ZINC000001235909	568886091	/nfs/dbraw/zinc/88/60/91/568886091.db2.gz	NJCAXNRBDBLBJL-LFIBNONCSA-N	-1	0	412.492	3.615	50	10		HHCARM
COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc(OC)c1OC	ZINC000217837854	568915523	/nfs/dbraw/zinc/91/55/23/568915523.db2.gz	SFXRLYQCUSHDEN-UHFFFAOYSA-N	-1	0	407.382	3.961	50	10	biogenic	HHCARM
CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccc(C)cc2)C1=O	ZINC000016671933	569070113	/nfs/dbraw/zinc/07/01/13/569070113.db2.gz	PBJICJAEBJVOFX-WJDWOHSUSA-N	-1	0	401.260	3.618	50	10		HHCARM
CCOc1cccc2ccc(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)nc21	ZINC000006660287	569084402	/nfs/dbraw/zinc/08/44/02/569084402.db2.gz	HREKRGTUCVMFJF-PTNGSMBKSA-N	-1	0	402.497	3.700	50	10		HHCARM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S	ZINC000002404690	569396044	/nfs/dbraw/zinc/39/60/44/569396044.db2.gz	IQZWBSSGORRXDI-BUYRESAOSA-N	-1	0	406.554	3.586	50	10		HHCARM
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000016183860	962975800	/nfs/dbraw/zinc/97/58/00/962975800.db2.gz	WHZFZQCAFROWOY-YBEGLDIGSA-N	-1	0	421.272	3.502	50	10		HHCARM
O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)C1=CNCCc1c[nH]c2ccccc12	ZINC000022780723	963715432	/nfs/dbraw/zinc/71/54/32/963715432.db2.gz	SYZVESMDVBMJHB-HKWRFOASSA-N	-1	0	424.460	3.620	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)cc1C	ZINC000001101056	132237065	/nfs/dbraw/zinc/23/70/65/132237065.db2.gz	XJFAKWYRUCVVOZ-DEDYPNTBSA-N	-1	0	417.490	3.631	50	10		HHCARM
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)[N-]C2=S)c1	ZINC000001150243	132239214	/nfs/dbraw/zinc/23/92/14/132239214.db2.gz	PKEHHNPEQQJNFW-MDWZMJQESA-N	-1	0	421.341	3.959	50	10		HHCARM
Cc1cc(C)cc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)c1	ZINC000001172447	132240254	/nfs/dbraw/zinc/24/02/54/132240254.db2.gz	IBENHPMZQPYSNX-XSFVSMFZSA-N	-1	0	401.491	3.925	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1	ZINC000002980732	132261157	/nfs/dbraw/zinc/26/11/57/132261157.db2.gz	KIWFBZMPKUUWAJ-FOWTUZBSSA-N	-1	0	409.804	3.936	50	10		HHCARM
Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)c1C	ZINC000002982113	132261275	/nfs/dbraw/zinc/26/12/75/132261275.db2.gz	NLQRQGQUCNJDCR-XMHGGMMESA-N	-1	0	401.491	3.925	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3C)C2=O)cc1	ZINC000004703290	132283820	/nfs/dbraw/zinc/28/38/20/132283820.db2.gz	PHVOZZXLSGHRAJ-RCCKNPSSSA-N	-1	0	403.482	3.960	50	10		HHCARM
CCOc1ccc(-n2cccc2/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000004908834	132293207	/nfs/dbraw/zinc/29/32/07/132293207.db2.gz	AOCABLUPOAGJGP-HKWRFOASSA-N	-1	0	401.422	3.542	50	10		HHCARM
Cc1cccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)[N-]C2=S)c1	ZINC000006898273	132319995	/nfs/dbraw/zinc/31/99/95/132319995.db2.gz	IHVQZUIHIRKOCA-YWXUCKCNSA-N	-1	0	421.526	3.594	50	10		HHCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3c(Cl)cccc3Cl)C2=O)c1	ZINC000008837194	132333650	/nfs/dbraw/zinc/33/36/50/132333650.db2.gz	OSDMEWYRXMXCNK-XFXZXTDPSA-N	-1	0	421.236	3.881	50	10		HHCARM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(OC)c1O	ZINC000008969450	132334195	/nfs/dbraw/zinc/33/41/95/132334195.db2.gz	BBMQKMLORDHKQF-NTUHNPAUSA-N	-1	0	402.790	3.570	50	10		HHCARM
CCN1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc(OC)cc4)c(C)oc32)CC1	ZINC000020589172	521686797	/nfs/dbraw/zinc/68/67/97/521686797.db2.gz	PERLXHIBXAQANZ-UHFFFAOYSA-N	-1	0	424.497	3.745	50	10		HHCARM
COc1cccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c1OC(C)C	ZINC000000660531	537078241	/nfs/dbraw/zinc/07/82/41/537078241.db2.gz	YAURVHOLBKCTLV-FOWTUZBSSA-N	-1	0	410.495	3.622	50	10		HHCARM
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000001180335	557230246	/nfs/dbraw/zinc/23/02/46/557230246.db2.gz	QERIVNSKODKBSH-KNPMLCFXSA-N	-1	0	403.500	3.655	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000002289365	557334567	/nfs/dbraw/zinc/33/45/67/557334567.db2.gz	HZJKOFNHLUILSC-XNTDXEJSSA-N	-1	0	418.452	3.921	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1Cl	ZINC000004845905	557605837	/nfs/dbraw/zinc/60/58/37/557605837.db2.gz	APMJUXGVSFVZSB-VBKFSLOCSA-N	-1	0	413.861	3.898	50	10		HHCARM
Cc1ccc(OCCn2cccc2C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1	ZINC000008738514	557803222	/nfs/dbraw/zinc/80/32/22/557803222.db2.gz	MBFWLLMQLRTWSM-XSFVSMFZSA-N	-1	0	419.437	3.971	50	10		HHCARM
COc1ccc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c(C)c(C)c4c3[O-])=NN2)c1	ZINC000012407765	558398762	/nfs/dbraw/zinc/39/87/62/558398762.db2.gz	QKIQPMOFPASYSF-MRXNPFEDSA-N	-1	0	408.454	3.880	50	10		HHCARM
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S	ZINC000013689811	558571888	/nfs/dbraw/zinc/57/18/88/558571888.db2.gz	MSWWHXLVKDCHBE-YPOUMIDOSA-N	-1	0	421.503	3.527	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3OC)C2=O)cc1	ZINC000014010668	558613323	/nfs/dbraw/zinc/61/33/23/558613323.db2.gz	WUOMBBWAUBOHDM-ZHZULCJRSA-N	-1	0	421.497	3.770	50	10		HHCARM
COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1OCC(=O)[O-]	ZINC000016192745	558777165	/nfs/dbraw/zinc/77/71/65/558777165.db2.gz	QPHQXUBQQHMKGO-SXGWCWSVSA-N	-1	0	419.455	3.704	50	10		HHCARM
COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1	ZINC000098086465	559065223	/nfs/dbraw/zinc/06/52/23/559065223.db2.gz	CRXNIOPTPTUGFH-LICLKQGHSA-N	-1	0	415.492	3.803	50	10		HHCARM
O=c1c(C=Nc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000100057186	559118940	/nfs/dbraw/zinc/11/89/40/559118940.db2.gz	DAKMILXMWHVWTE-ZROIWOOFSA-N	-1	0	421.291	3.764	50	10		HHCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(C(N)=O)cc1	ZINC000100524794	559218060	/nfs/dbraw/zinc/21/80/60/559218060.db2.gz	WGWVQZCRCXPDSF-GSWFEHRJSA-N	-1	0	404.455	3.784	50	10		HHCARM
Cc1c2ccc([O-])c(C[NH2+][C@@H](CC(C)C)C(=O)[O-])c2oc(=O)c1Cc1ccccc1	ZINC000011866849	559264329	/nfs/dbraw/zinc/26/43/29/559264329.db2.gz	LZVNDAWOTCMIJK-FQEVSTJZSA-N	-1	0	409.482	3.987	50	10		HHCARM
COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000022107455	568475416	/nfs/dbraw/zinc/47/54/16/568475416.db2.gz	IOVUQDFJPNAKCV-UYRXBGFRSA-N	-1	0	402.475	3.988	50	10		HHCARM
COc1ccc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)c1	ZINC000012391620	568696057	/nfs/dbraw/zinc/69/60/57/568696057.db2.gz	ZYDZPUNOLVTHBD-KRWDZBQOSA-N	-1	0	420.465	3.752	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000096234379	568708463	/nfs/dbraw/zinc/70/84/63/568708463.db2.gz	FNLSSUZGJKCDAC-VZUCSPMQSA-N	-1	0	421.261	3.553	50	10		HHCARM
Cc1ccc(S(=O)(=O)Nc2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000000944472	568754332	/nfs/dbraw/zinc/75/43/32/568754332.db2.gz	DPTYIVMAPDAPIM-UHFFFAOYSA-N	-1	0	403.481	3.831	50	10		HHCARM
CCCCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000002470733	568773605	/nfs/dbraw/zinc/77/36/05/568773605.db2.gz	CMNHQEXGOSEKLW-FQEVSTJZSA-N	-1	0	423.425	3.973	50	10		HHCARM
COc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)c(OC)c1OC	ZINC000217840146	568915513	/nfs/dbraw/zinc/91/55/13/568915513.db2.gz	IJYZGTGTKHJWDP-UHFFFAOYSA-N	-1	0	407.382	3.961	50	10	biogenic	HHCARM
COc1ccc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc1Br	ZINC000015724117	568977688	/nfs/dbraw/zinc/97/76/88/568977688.db2.gz	XIIADXAZCISBKY-NVNXTCNLSA-N	-1	0	415.243	3.962	50	10		HHCARM
COc1ccc(S(=O)(=O)[N-]c2nc(-c3ccccc3)cs2)cc1NC(C)=O	ZINC000007052457	569214225	/nfs/dbraw/zinc/21/42/25/569214225.db2.gz	VEWTZVSZSHHQCW-UHFFFAOYSA-N	-1	0	403.485	3.578	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S	ZINC000013351893	569255213	/nfs/dbraw/zinc/25/52/13/569255213.db2.gz	BAIWQOSBNRAJOY-YRNVUSSQSA-N	-1	0	404.282	3.654	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1Br	ZINC000013343586	569255239	/nfs/dbraw/zinc/25/52/39/569255239.db2.gz	DRRWXRZEFRXGBB-WQLSENKSSA-N	-1	0	416.318	3.524	50	10		HHCARM
C[C@@H](N=NC(=N)S[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O)c1ccccc1	ZINC000027571123	569374558	/nfs/dbraw/zinc/37/45/58/569374558.db2.gz	ZAZHRZLVVYXGCW-STTUPYCZSA-N	-1	0	410.455	3.898	50	10		HHCARM
COC(=O)Cc1c(C)c2cc(Cl)c([O-])c(CNc3ccc(OC)cc3)c2oc1=O	ZINC000009061315	571217877	/nfs/dbraw/zinc/21/78/77/571217877.db2.gz	NKYLXLPOCUBOFG-UHFFFAOYSA-N	-1	0	417.845	3.797	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1	ZINC000001197658	960460834	/nfs/dbraw/zinc/46/08/34/960460834.db2.gz	HMMOSTBUAOZXLO-AQTBWJFISA-N	-1	0	411.914	3.772	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C(=O)[N-]C2=S)cc1	ZINC000005060922	960644432	/nfs/dbraw/zinc/64/44/32/960644432.db2.gz	JHPSYDNFMZZQGR-RIYZIHGNSA-N	-1	0	407.278	3.833	50	10		HHCARM
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1OCC(=O)[O-]	ZINC000013914990	962401803	/nfs/dbraw/zinc/40/18/03/962401803.db2.gz	ANIYWSHFAAXLBD-SXGWCWSVSA-N	-1	0	404.344	3.975	50	10		HHCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc12	ZINC000022107445	963592619	/nfs/dbraw/zinc/59/26/19/963592619.db2.gz	LSCIVGJMWOROAU-UNOMPAQXSA-N	-1	0	404.397	3.650	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3)C2=O)cc1	ZINC000001083912	132236876	/nfs/dbraw/zinc/23/68/76/132236876.db2.gz	CHNJHBXARVFBFQ-HKWRFOASSA-N	-1	0	407.470	3.598	50	10		HHCARM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(OCC(C)C)cc3)C(=O)[N-]C2=S)c1	ZINC000001204526	132242333	/nfs/dbraw/zinc/24/23/33/132242333.db2.gz	JDXHIHZSQYWTJI-UDWIEESQSA-N	-1	0	424.522	3.951	50	10		HHCARM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3cccc(F)c3)C2=O)ccc1Br	ZINC000001211494	132242493	/nfs/dbraw/zinc/24/24/93/132242493.db2.gz	DDTLDFDMCDQGMO-NTEUORMPSA-N	-1	0	403.207	3.563	50	10		HHCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OC)c1	ZINC000001207993	132242568	/nfs/dbraw/zinc/24/25/68/132242568.db2.gz	PZBOZIJPSAUEGF-CPNJWEJPSA-N	-1	0	407.470	3.516	50	10		HHCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)cc3)C2=O)c1	ZINC000004675400	132282059	/nfs/dbraw/zinc/28/20/59/132282059.db2.gz	PYYBYMHVHJPNKI-RCCKNPSSSA-N	-1	0	403.482	3.960	50	10		HHCARM
CCOc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000004675552	132282070	/nfs/dbraw/zinc/28/20/70/132282070.db2.gz	MPYBJIRAOVTSPB-HKWRFOASSA-N	-1	0	421.522	3.517	50	10		HHCARM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cn(C(C)=O)c3ccccc23)C1=O	ZINC000005903422	132308449	/nfs/dbraw/zinc/30/84/49/132308449.db2.gz	JHSGRCKZLLZTCK-PDGQHHTCSA-N	-1	0	401.422	3.530	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNNc3cccc4ccccc43)C2=O)cc1C	ZINC000009109498	132335805	/nfs/dbraw/zinc/33/58/05/132335805.db2.gz	UNANIDGEJRFNIT-CPNJWEJPSA-N	-1	0	400.438	3.540	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Cl)c1O	ZINC000001214297	535658922	/nfs/dbraw/zinc/65/89/22/535658922.db2.gz	GHGDZDOBCINLKI-OVCLIPMQSA-N	-1	0	414.845	3.728	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c2ccccc12	ZINC000001192512	536598012	/nfs/dbraw/zinc/59/80/12/536598012.db2.gz	LGSUDYMGQCCVLQ-GHRIWEEISA-N	-1	0	402.406	3.523	50	10		HHCARM
COc1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000003004694	536655825	/nfs/dbraw/zinc/65/58/25/536655825.db2.gz	HWGKVDUGOZJKGQ-FMIVXFBMSA-N	-1	0	422.293	3.746	50	10		HHCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1	ZINC000001208034	536658090	/nfs/dbraw/zinc/65/80/90/536658090.db2.gz	YSCOTPKOFLSXMZ-STZFKDTASA-N	-1	0	415.449	3.974	50	10		HHCARM
COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000000666636	557045890	/nfs/dbraw/zinc/04/58/90/557045890.db2.gz	SBBLBDRUBMCTHP-PDGQHHTCSA-N	-1	0	422.824	3.848	50	10		HHCARM
CSc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1	ZINC000001183931	557232617	/nfs/dbraw/zinc/23/26/17/557232617.db2.gz	PZLPYFMFQMEEMS-OQLLNIDSSA-N	-1	0	417.284	3.837	50	10		HHCARM
O=C([O-])c1ccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1	ZINC000001773966	557286202	/nfs/dbraw/zinc/28/62/02/557286202.db2.gz	UJYVFXUXYFDAFT-GXDHUFHOSA-N	-1	0	418.521	3.676	50	10		HHCARM
CCCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2	ZINC000004613978	557572334	/nfs/dbraw/zinc/57/23/34/557572334.db2.gz	IVFLOMBMZSYNAC-XRQSXFTLSA-N	-1	0	417.527	3.901	50	10		HHCARM
COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)nc12	ZINC000013572909	558542587	/nfs/dbraw/zinc/54/25/87/558542587.db2.gz	FABODMFHKHOROB-ZROIWOOFSA-N	-1	0	422.915	3.963	50	10		HHCARM
O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000000910346	560546237	/nfs/dbraw/zinc/54/62/37/560546237.db2.gz	PXRHMENDVUPECE-ZROIWOOFSA-N	-1	0	422.076	3.673	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)C1=Cc1ccc(Br)cc1	ZINC000016156507	560859723	/nfs/dbraw/zinc/85/97/23/560859723.db2.gz	ZVDOSDQSUUIJOP-NTEUORMPSA-N	-1	0	416.187	3.864	50	10		HHCARM
COc1cc(OC)c([C@@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)cc1OC	ZINC000012323317	568471355	/nfs/dbraw/zinc/47/13/55/568471355.db2.gz	LSKTVLTWTMJZKO-AWEZNQCLSA-N	-1	0	424.453	3.580	50	10		HHCARM
O=c1cc(-c2ccccc2)oc2c1c([O-])c(O)c1c2[C@H](c2cccnc2)CC(=O)O1	ZINC000096115527	568695216	/nfs/dbraw/zinc/69/52/16/568695216.db2.gz	RSRRQFZGHNPIHP-AWEZNQCLSA-N	-1	0	401.374	3.707	50	10	biogenic	HHCARM
COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)c(OC)c1	ZINC000012391583	568696012	/nfs/dbraw/zinc/69/60/12/568696012.db2.gz	ZPRJAQRYFSCXQQ-QGZVFWFLSA-N	-1	0	420.465	3.752	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)s2)SC1=S	ZINC000028294357	568784184	/nfs/dbraw/zinc/78/41/84/568784184.db2.gz	SPGXQUKIIRUZGI-QPEQYQDCSA-N	-1	0	406.466	3.609	50	10		HHCARM
CCOc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O	ZINC000001184099	568822078	/nfs/dbraw/zinc/82/20/78/568822078.db2.gz	UMHHBPXBPJTQLK-XNTDXEJSSA-N	-1	0	415.243	3.514	50	10		HHCARM
Cc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)sc2c1	ZINC000005942859	568831307	/nfs/dbraw/zinc/83/13/07/568831307.db2.gz	MANJILYPEAEPPL-UKTHLTGXSA-N	-1	0	412.858	3.837	50	10		HHCARM
Cc1ccc(OCCOc2ccccc2/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1	ZINC000006030170	568835839	/nfs/dbraw/zinc/83/58/39/568835839.db2.gz	RWRIIZZYPRXGBX-OQKWZONESA-N	-1	0	414.461	3.914	50	10		HHCARM
O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)=C([O-])N1c1ccccc1	ZINC000001452093	568986608	/nfs/dbraw/zinc/98/66/08/568986608.db2.gz	RWSRJUNGNDTLNN-HMPUBDHJSA-N	-1	0	420.515	3.776	50	10		HHCARM
COc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccc(Cl)cc2)C1=O	ZINC000016226491	569029962	/nfs/dbraw/zinc/02/99/62/569029962.db2.gz	JWLDVUVZOBYSAF-ZROIWOOFSA-N	-1	0	407.651	3.573	50	10		HHCARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	ZINC000010059834	569253128	/nfs/dbraw/zinc/25/31/28/569253128.db2.gz	SLBCUGJNMROTAA-MOSHPQCFSA-N	-1	0	416.393	3.890	50	10		HHCARM
O=C(Oc1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc1)c1ccccc1F	ZINC000001117758	569277366	/nfs/dbraw/zinc/27/73/66/569277366.db2.gz	RPMCDCTUWVDNJG-XMHGGMMESA-N	-1	0	402.381	3.506	50	10		HHCARM
CCOC(=O)c1c(C)n[nH]c1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1	ZINC000252643871	569318918	/nfs/dbraw/zinc/31/89/18/569318918.db2.gz	ZYLRHQICOVSFPF-LJQANCHMSA-N	-1	0	416.441	3.798	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCCOc1ccccc1	ZINC000002304635	569372329	/nfs/dbraw/zinc/37/23/29/569372329.db2.gz	RAIVONBTQIWTTG-HEHNFIMWSA-N	-1	0	400.434	3.606	50	10		HHCARM
CCc1ccccc1-n1c(C)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)c1C	ZINC000027572671	569374734	/nfs/dbraw/zinc/37/47/34/569374734.db2.gz	WHYCMJDLUYLOPW-LICLKQGHSA-N	-1	0	400.525	3.942	50	10		HHCARM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S	ZINC000002449238	569402355	/nfs/dbraw/zinc/40/23/55/569402355.db2.gz	IQZWBSSGORRXDI-WJQTUHTMSA-N	-1	0	406.554	3.586	50	10		HHCARM
CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)[N-]C(=O)NC2=O)cc1C	ZINC000008856589	571127957	/nfs/dbraw/zinc/12/79/57/571127957.db2.gz	JJWKGJOLEOHRIA-UHFFFAOYSA-N	-1	0	416.437	3.836	50	10		HHCARM
Cc1ccc(-c2nc(NC=C3C(=O)[N-]C(=O)NC3=O)sc2-c2ccc(C)cc2)cc1	ZINC000009439557	571259012	/nfs/dbraw/zinc/25/90/12/571259012.db2.gz	PSWLKSREBBAACS-UHFFFAOYSA-N	-1	0	418.478	3.756	50	10		HHCARM
COc1ccccc1N1C(=O)/C(=C\c2ccc3c4c(cccc42)CC3)C(=O)[N-]C1=S	ZINC000004873004	960621956	/nfs/dbraw/zinc/62/19/56/960621956.db2.gz	MJCYPFHCYCQBTG-AQTBWJFISA-N	-1	0	414.486	3.778	50	10		HHCARM
CCc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccccc2)C(=O)[N-]C1=S	ZINC000000693716	132231041	/nfs/dbraw/zinc/23/10/41/132231041.db2.gz	UWENTBPAFKZNLC-XDJHFCHBSA-N	-1	0	401.491	3.871	50	10		HHCARM
Cc1ccsc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(Br)cc2C)C1=O	ZINC000001161594	132239735	/nfs/dbraw/zinc/23/97/35/132239735.db2.gz	JLNPOBNXLAERPD-XYOKQWHBSA-N	-1	0	421.341	3.959	50	10		HHCARM
Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)ccc1Br	ZINC000001211506	132242564	/nfs/dbraw/zinc/24/25/64/132242564.db2.gz	AYEDNGLWZVZGST-OQLLNIDSSA-N	-1	0	424.254	3.905	50	10		HHCARM
CCc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C(=O)[N-]C2=S)cc1	ZINC000004468379	132277299	/nfs/dbraw/zinc/27/72/99/132277299.db2.gz	BSXMPOHGOBOKCK-HKWRFOASSA-N	-1	0	401.491	3.871	50	10		HHCARM
CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC)c(Cl)c3)C(=O)[N-]C2=S)c1	ZINC000005113007	132301771	/nfs/dbraw/zinc/30/17/71/132301771.db2.gz	HIDPTYBHDIXUSI-DHDCSXOGSA-N	-1	0	416.886	3.579	50	10		HHCARM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1O	ZINC000009045947	132335228	/nfs/dbraw/zinc/33/52/28/132335228.db2.gz	XTSMIRDFHTUJBW-NTUHNPAUSA-N	-1	0	406.316	3.926	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccc(Cl)c1	ZINC000009933803	132344209	/nfs/dbraw/zinc/34/42/09/132344209.db2.gz	LTRFGZQWOWMKDH-ZROIWOOFSA-N	-1	0	421.703	3.934	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccccc1F	ZINC000015822387	132462814	/nfs/dbraw/zinc/46/28/14/132462814.db2.gz	NYTBUFPHBYHEEE-OWBHPGMISA-N	-1	0	409.417	3.587	50	10		HHCARM
CC(C)C[C@H](NS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(=O)[O-]	ZINC000043505222	519398867	/nfs/dbraw/zinc/39/88/67/519398867.db2.gz	DYCBTNVNACPQRN-XJUMHSELSA-N	-1	0	418.519	3.946	50	10		HHCARM
COC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1	ZINC000032099592	522083425	/nfs/dbraw/zinc/08/34/25/522083425.db2.gz	QYJQOSRXTTXDPF-LDADJPATSA-N	-1	0	422.824	3.848	50	10		HHCARM
O=C1[N-]C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)C(=O)N1	ZINC000001890312	557294319	/nfs/dbraw/zinc/29/43/19/557294319.db2.gz	GCSTYFJRMBIMSU-UHFFFAOYSA-N	-1	0	403.803	3.989	50	10		HHCARM
CCOc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1OC	ZINC000002258624	557332217	/nfs/dbraw/zinc/33/22/17/557332217.db2.gz	RHUAIAQPNUZEBC-FOWTUZBSSA-N	-1	0	409.529	3.940	50	10		HHCARM
CCOc1ccc([N-]S(=O)(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1	ZINC000004289697	557536375	/nfs/dbraw/zinc/53/63/75/557536375.db2.gz	AMCIQYRFIPRTKL-UHFFFAOYSA-N	-1	0	407.447	3.662	50	10		HHCARM
CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3C)o2)C1=O	ZINC000004600020	557571179	/nfs/dbraw/zinc/57/11/79/557571179.db2.gz	IGPDCFRNCCQAEI-CXUHLZMHSA-N	-1	0	415.423	3.553	50	10		HHCARM
O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1	ZINC000002483403	557713603	/nfs/dbraw/zinc/71/36/03/557713603.db2.gz	ZZMFMERKQVVWCN-UHFFFAOYSA-N	-1	0	422.422	3.821	50	10		HHCARM
CC(C)C1=NN2C(=NC(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)C2=N)S1	ZINC000020025486	558322630	/nfs/dbraw/zinc/32/26/30/558322630.db2.gz	USTDPTLSNNQDGT-AJUKGGFZSA-N	-1	0	408.439	3.920	50	10		HHCARM
O=C([O-])c1cccc(NC(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)c1	ZINC000012562257	558428094	/nfs/dbraw/zinc/42/80/94/558428094.db2.gz	IITYTQXOHMKKQJ-GXDHUFHOSA-N	-1	0	418.521	3.676	50	10		HHCARM
COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)c1	ZINC000013123397	558517882	/nfs/dbraw/zinc/51/78/82/558517882.db2.gz	DPRQAHPQYRUTPT-NIFLVVHWSA-N	-1	0	415.492	3.731	50	10		HHCARM
CCCCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1OC	ZINC000013343588	558530312	/nfs/dbraw/zinc/53/03/12/558530312.db2.gz	LYRIVPRAGQILEK-VBKFSLOCSA-N	-1	0	409.529	3.940	50	10		HHCARM
CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)c(OC(C)C)c1	ZINC000013810336	558595384	/nfs/dbraw/zinc/59/53/84/558595384.db2.gz	HRSRYYMXJYDIGY-MOSHPQCFSA-N	-1	0	411.477	3.921	50	10		HHCARM
O=C([O-])c1cccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c1	ZINC000001235910	558776245	/nfs/dbraw/zinc/77/62/45/558776245.db2.gz	NJCAXNRBDBLBJL-WJDWOHSUSA-N	-1	0	412.492	3.615	50	10		HHCARM
COc1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1Br	ZINC000016667954	558798500	/nfs/dbraw/zinc/79/85/00/558798500.db2.gz	KAUCTONKMICYTJ-QPEQYQDCSA-N	-1	0	407.651	3.573	50	10		HHCARM
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)c(OC)c1OC	ZINC000016995367	558811332	/nfs/dbraw/zinc/81/13/32/558811332.db2.gz	VODPYTCDFUNOLL-ZROIWOOFSA-N	-1	0	416.817	3.873	50	10		HHCARM
COC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000017083200	558815654	/nfs/dbraw/zinc/81/56/54/558815654.db2.gz	WAFOZVVFMMBGIO-INCPQMAJSA-N	-1	0	405.516	3.879	50	10		HHCARM
O=C([N-]N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccccc1[N+](=O)[O-]	ZINC000033286153	559043700	/nfs/dbraw/zinc/04/37/00/559043700.db2.gz	CHFKDGUIQXZZCU-NTEUORMPSA-N	-1	0	419.871	3.794	50	10		HHCARM
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc(-c2ccc(C)cc2)cs1	ZINC000011615695	559114786	/nfs/dbraw/zinc/11/47/86/559114786.db2.gz	LSFAHAVOKAIGHY-UHFFFAOYSA-N	-1	0	417.512	3.886	50	10		HHCARM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)cc(Cl)c1O	ZINC000015837491	560857710	/nfs/dbraw/zinc/85/77/10/560857710.db2.gz	FWUAELYCXUJHCU-ZROIWOOFSA-N	-1	0	414.845	3.673	50	10		HHCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000016676215	560861186	/nfs/dbraw/zinc/86/11/86/560861186.db2.gz	FPGVXAWMOKQCQH-NTEUORMPSA-N	-1	0	420.321	3.891	50	10		HHCARM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S	ZINC000051330869	560875734	/nfs/dbraw/zinc/87/57/34/560875734.db2.gz	QVVJPHMEWMDWLW-QTNMRXCUSA-N	-1	0	404.538	3.642	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(Oc2nc(Cl)ncc2F)cc1	ZINC000108893130	568420088	/nfs/dbraw/zinc/42/00/88/568420088.db2.gz	YQWOSCWTZHEBGP-GDNBJRDFSA-N	-1	0	410.792	3.523	50	10		HHCARM
Cc1cc(/C=C2/NC(=O)[N-]C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1	ZINC000000631714	568456469	/nfs/dbraw/zinc/45/64/69/568456469.db2.gz	ULLCRNJKBINZHJ-CIAFOILYSA-N	-1	0	405.429	3.993	50	10		HHCARM
COc1ccc(-c2coc3c(C[N@@H+]4CCC[C@@H](C(=O)[O-])C4)c([O-])cc(C)c3c2=O)cc1	ZINC000094993354	568593882	/nfs/dbraw/zinc/59/38/82/568593882.db2.gz	MSNHTKCSVDVKBB-MRXNPFEDSA-N	-1	0	423.465	3.779	50	10		HHCARM
CCOc1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)o2)c([N+](=O)[O-])c1	ZINC000020238490	568595699	/nfs/dbraw/zinc/59/56/99/568595699.db2.gz	FTHGQMYSYDNLBP-LDADJPATSA-N	-1	0	419.393	3.715	50	10		HHCARM
O=c1cc(-c2ccccc2)oc2c1c([O-])c(O)c1c2[C@@H](c2ccncc2)CC(=O)O1	ZINC000096114171	568693849	/nfs/dbraw/zinc/69/38/49/568693849.db2.gz	MJTFGJNFTZONSL-CQSZACIVSA-N	-1	0	401.374	3.707	50	10	biogenic	HHCARM
COC(=O)C[C@@H](c1ccco1)c1c(=O)c(O)c([O-])c2c(O)cc(-c3ccccc3)oc1-2	ZINC000096222122	568705538	/nfs/dbraw/zinc/70/55/38/568705538.db2.gz	IWNCCTVWGNOEGA-ZDUSSCGKSA-N	-1	0	422.389	3.865	50	10	biogenic	HHCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000002700990	568801715	/nfs/dbraw/zinc/80/17/15/568801715.db2.gz	SKZGBORSOYQUSU-ZENNRRHLSA-N	-1	0	418.452	3.919	50	10		HHCARM
COc1ccc(C[N@@H+]2CCN(Cc3cc(Cl)ccc3O)C[C@H]2CCO)c(C)c1C	ZINC000104397547	569008493	/nfs/dbraw/zinc/00/84/93/569008493.db2.gz	VIDLJIMXMQTBGE-OAQYLSRUSA-N	-1	0	418.965	3.740	50	10		HHCARM
CCCCn1c(=O)c(C2=NN[C@@H](c3ccc(N(CC)CC)cc3)C2)c([O-])[nH]c1=S	ZINC000015834765	569012894	/nfs/dbraw/zinc/01/28/94/569012894.db2.gz	QALQFNXBXUQAFB-MRXNPFEDSA-N	-1	0	415.563	3.696	50	10		HHCARM
COc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c2C)cc1	ZINC000001843195	569056496	/nfs/dbraw/zinc/05/64/96/569056496.db2.gz	WRQBEFIJZLEUBS-UDWIEESQSA-N	-1	0	419.437	3.562	50	10		HHCARM
COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)o1	ZINC000006847711	569153644	/nfs/dbraw/zinc/15/36/44/569153644.db2.gz	OYICVCJNHBBESC-VGOFMYFVSA-N	-1	0	409.872	3.894	50	10		HHCARM
Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1	ZINC000016712291	569261331	/nfs/dbraw/zinc/26/13/31/569261331.db2.gz	WEGNOMAYESZSQM-DHDCSXOGSA-N	-1	0	418.452	3.839	50	10		HHCARM
CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)C(C(=O)OC)=C2C)cc1	ZINC000002285090	569364463	/nfs/dbraw/zinc/36/44/63/569364463.db2.gz	QRJOXOSBEYLJTO-UYRXBGFRSA-N	-1	0	407.422	3.661	50	10		HHCARM
COc1cccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)c1OC	ZINC000008911493	571147498	/nfs/dbraw/zinc/14/74/98/571147498.db2.gz	BLDGGQFSEYDOEA-NVNXTCNLSA-N	-1	0	417.464	3.513	50	10		HHCARM
CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(OCC)c1	ZINC000000706673	132231263	/nfs/dbraw/zinc/23/12/63/132231263.db2.gz	PATKLQVDJAVBIY-LDADJPATSA-N	-1	0	410.495	3.624	50	10		HHCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c(C)c1	ZINC000001192679	132241365	/nfs/dbraw/zinc/24/13/65/132241365.db2.gz	ITRXKDLGLGSODR-XSFVSMFZSA-N	-1	0	403.482	3.878	50	10		HHCARM
Cc1ccsc1C=C1C(=O)[N-]C(=O)N(c2ccc(Br)c(C)c2)C1=O	ZINC000001211699	132242509	/nfs/dbraw/zinc/24/25/09/132242509.db2.gz	XYYGYPAUIUFRBB-XYOKQWHBSA-N	-1	0	405.273	3.794	50	10		HHCARM
Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O	ZINC000002301546	132251928	/nfs/dbraw/zinc/25/19/28/132251928.db2.gz	BSWHVXJPEOAUBZ-MHWRWJLKSA-N	-1	0	424.254	3.905	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNc1ccc(Cl)c(Cl)c1	ZINC000004489084	132277728	/nfs/dbraw/zinc/27/77/28/132277728.db2.gz	ANAYICVKHQSWEE-CSKARUKUSA-N	-1	0	410.257	3.876	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)ccc1O	ZINC000004672981	132281916	/nfs/dbraw/zinc/28/19/16/132281916.db2.gz	RKNAMSLPQDLZES-UKTHLTGXSA-N	-1	0	416.886	3.584	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000005024988	132298693	/nfs/dbraw/zinc/29/86/93/132298693.db2.gz	IMYLVOGPZOVIEX-XMHGGMMESA-N	-1	0	408.527	3.585	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(SCc2ccco2)o1	ZINC000005025783	132298719	/nfs/dbraw/zinc/29/87/19/132298719.db2.gz	CLCMUGBARCFNCR-YBEGLDIGSA-N	-1	0	412.398	3.970	50	10		HHCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c4ccccc34)C2=O)c1	ZINC000005043775	132299410	/nfs/dbraw/zinc/29/94/10/132299410.db2.gz	AFMQLHFGYKDPJV-UNOMPAQXSA-N	-1	0	402.406	3.523	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1Br	ZINC000009010493	132334921	/nfs/dbraw/zinc/33/49/21/132334921.db2.gz	CCCBJWJYAZROIF-XFXZXTDPSA-N	-1	0	420.650	3.681	50	10		HHCARM
CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3OC)C2=O)c2ccccc21	ZINC000009111594	132335990	/nfs/dbraw/zinc/33/59/90/132335990.db2.gz	MEZRQZVJBJMURX-FOWTUZBSSA-N	-1	0	405.479	3.501	50	10		HHCARM
CCCCN1CCc2cc(/C=C3\C(=O)[N-]C(=S)N(c4ccccc4F)C3=O)ccc21	ZINC000009464046	535275794	/nfs/dbraw/zinc/27/57/94/535275794.db2.gz	VBLWDHJOGDCMRC-SAPNQHFASA-N	-1	0	423.513	3.820	50	10		HHCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(OC)c1	ZINC000000706674	535681792	/nfs/dbraw/zinc/68/17/92/535681792.db2.gz	JHUMIMKREBETEA-QGOAFFKASA-N	-1	0	423.538	3.681	50	10		HHCARM
CCCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)[O-])cc2C1=O	ZINC000002862578	557410900	/nfs/dbraw/zinc/41/09/00/557410900.db2.gz	NKSUACMNHDUBKH-UHFFFAOYSA-N	-1	0	400.818	3.687	50	10		HHCARM
O=C1[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1	ZINC000002900087	557424585	/nfs/dbraw/zinc/42/45/85/557424585.db2.gz	CROCWZZEDGMAJB-UHFFFAOYSA-N	-1	0	414.248	3.746	50	10		HHCARM
O=C([O-])c1cc(Cl)ccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O	ZINC000004258177	557532689	/nfs/dbraw/zinc/53/26/89/557532689.db2.gz	UGCMUKUXNTUIEQ-UHFFFAOYSA-N	-1	0	424.796	3.680	50	10		HHCARM
O=C1c2ccccc2-c2ncnc3ccc(Nc4ccc(S(=O)(=O)[O-])cc4)c1c32	ZINC000003067613	557794543	/nfs/dbraw/zinc/79/45/43/557794543.db2.gz	FYCABJUZWOXSIE-UHFFFAOYSA-N	-1	0	403.419	3.832	50	10		HHCARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NCc3cc(Cl)ccc3O)cc2)n1	ZINC000004384948	558482466	/nfs/dbraw/zinc/48/24/66/558482466.db2.gz	NDKRBNJJCCADRG-UHFFFAOYSA-N	-1	0	418.906	3.865	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S	ZINC000013678258	558565354	/nfs/dbraw/zinc/56/53/54/558565354.db2.gz	PYTPEDDBMSKKJX-MLPAPPSSSA-N	-1	0	424.843	3.794	50	10		HHCARM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCC	ZINC000015821776	558754537	/nfs/dbraw/zinc/75/45/37/558754537.db2.gz	OIOVMYWVZITHTN-DHDCSXOGSA-N	-1	0	404.825	3.738	50	10		HHCARM
CN(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc1Br	ZINC000016671137	558798690	/nfs/dbraw/zinc/79/86/90/558798690.db2.gz	TZMUBDKRIJHQCF-ZROIWOOFSA-N	-1	0	420.694	3.630	50	10		HHCARM
COC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000017083201	558815615	/nfs/dbraw/zinc/81/56/15/558815615.db2.gz	WAFOZVVFMMBGIO-DCNYZXSGSA-N	-1	0	405.516	3.879	50	10		HHCARM
CCOc1ccc(NC2=NC(=O)C(=Cc3cc(OC)c([O-])c([N+](=O)[O-])c3)S2)cc1	ZINC000018193711	560782221	/nfs/dbraw/zinc/78/22/21/560782221.db2.gz	VUDGWRMCRODBMU-YBEGLDIGSA-N	-1	0	415.427	3.790	50	10		HHCARM
COc1ccc(-c2c3c(=O)[nH]nc-3[n-]c3c2C(=O)c2ccccc2-3)c(OC)c1OC	ZINC000018196166	560782434	/nfs/dbraw/zinc/78/24/34/560782434.db2.gz	HGVOMDCOCFIXLE-UHFFFAOYSA-N	-1	0	403.394	3.568	50	10		HHCARM
Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4O)[C@@H]3C2=O)cc1	ZINC000103078510	560837633	/nfs/dbraw/zinc/83/76/33/560837633.db2.gz	MYQPEHGYXKCSCY-BHDDXSALSA-N	-1	0	400.434	3.752	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNc1ccc(Cl)c(Cl)c1	ZINC000103682397	560843837	/nfs/dbraw/zinc/84/38/37/560843837.db2.gz	ANAYICVKHQSWEE-NTMALXAHSA-N	-1	0	410.257	3.876	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc1Br	ZINC000000725516	568467493	/nfs/dbraw/zinc/46/74/93/568467493.db2.gz	KAUCTONKMICYTJ-NTUHNPAUSA-N	-1	0	407.651	3.573	50	10		HHCARM
CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc32)CC1	ZINC000020358296	568600511	/nfs/dbraw/zinc/60/05/11/568600511.db2.gz	FCBOIKIULWHHQU-UHFFFAOYSA-N	-1	0	408.498	3.620	50	10	biogenic	HHCARM
O=c1c2ccc([O-])c(CN3CCOCC3)c2occ1-c1ccc(Br)cc1	ZINC000020394943	568604240	/nfs/dbraw/zinc/60/42/40/568604240.db2.gz	UHFGMZQPOFOIKL-UHFFFAOYSA-N	-1	0	416.271	3.760	50	10		HHCARM
O=c1cc(-c2ccccc2)oc2c1c([O-])c(O)c1c2[C@@H](c2cccnc2)CC(=O)O1	ZINC000096115528	568695308	/nfs/dbraw/zinc/69/53/08/568695308.db2.gz	RSRRQFZGHNPIHP-CQSZACIVSA-N	-1	0	401.374	3.707	50	10	biogenic	HHCARM
CCOc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)C(C(=O)OC)=C2C)cc1	ZINC000005791087	568733665	/nfs/dbraw/zinc/73/36/65/568733665.db2.gz	QRJOXOSBEYLJTO-CPNJWEJPSA-N	-1	0	407.422	3.661	50	10		HHCARM
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(C)c(C)c4)C3=O)o2)cc1	ZINC000005795123	568734299	/nfs/dbraw/zinc/73/42/99/568734299.db2.gz	FUPXTPFHCRWIDW-DEDYPNTBSA-N	-1	0	416.433	3.811	50	10		HHCARM
CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1	ZINC000028248773	568783534	/nfs/dbraw/zinc/78/35/34/568783534.db2.gz	YQQDHDSTKNASQD-UHFFFAOYSA-N	-1	0	417.512	3.968	50	10		HHCARM
Cc1ccc(OCCOc2cccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)c2)cc1	ZINC000001883117	569148335	/nfs/dbraw/zinc/14/83/35/569148335.db2.gz	XSXRGZVWSBGSKK-HAVVHWLPSA-N	-1	0	414.461	3.914	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C/c2cc(Br)ccc2F)SC1=S	ZINC000070040398	571254940	/nfs/dbraw/zinc/25/49/40/571254940.db2.gz	MESAUWIZYOVVNX-XFFZJAGNSA-N	-1	0	404.282	3.654	50	10		HHCARM
CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1[N+](=O)[O-]	ZINC000004981538	960633914	/nfs/dbraw/zinc/63/39/14/960633914.db2.gz	KCWVLKRVPIGXFF-NTEUORMPSA-N	-1	0	414.805	3.821	50	10		HHCARM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2C)C1=O	ZINC000000664808	132230303	/nfs/dbraw/zinc/23/03/03/132230303.db2.gz	AQRKYPPGOMXWDX-XNTDXEJSSA-N	-1	0	400.887	3.797	50	10		HHCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)c1	ZINC000001173318	132240270	/nfs/dbraw/zinc/24/02/70/132240270.db2.gz	YNRBVRVABJWKMJ-HMMYKYKNSA-N	-1	0	401.422	3.542	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccc([N+](=O)[O-])c1	ZINC000001204951	132242361	/nfs/dbraw/zinc/24/23/61/132242361.db2.gz	UUFSSZHQRKROBO-NTEUORMPSA-N	-1	0	416.187	3.864	50	10		HHCARM
COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=CC=Cc3ccccc3[N+](=O)[O-])C2=O)c1	ZINC000001825650	132248123	/nfs/dbraw/zinc/24/81/23/132248123.db2.gz	FSLFDELMKSLEQT-TWPHAGSYSA-N	-1	0	423.381	3.675	50	10		HHCARM
CCCn1cc(C=C2C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)c2ccccc21	ZINC000002195088	132249312	/nfs/dbraw/zinc/24/93/12/132249312.db2.gz	QSZPQMVBWYDDCQ-XDHOZWIPSA-N	-1	0	403.438	3.931	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)cc1C	ZINC000002979492	132261073	/nfs/dbraw/zinc/26/10/73/132261073.db2.gz	DWRYXTPNFHYRID-XSFVSMFZSA-N	-1	0	401.491	3.925	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)cc1C	ZINC000006898083	132319930	/nfs/dbraw/zinc/31/99/30/132319930.db2.gz	HTUNCSSHDASLQP-YBEGLDIGSA-N	-1	0	408.414	3.784	50	10		HHCARM
Cc1cccc(N2C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C(=O)[N-]C2=S)c1	ZINC000006898276	132319977	/nfs/dbraw/zinc/31/99/77/132319977.db2.gz	IHVQZUIHIRKOCA-ZSFFSCSXSA-N	-1	0	421.526	3.594	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccn(-c2cccc([N+](=O)[O-])c2)c1	ZINC000008741334	132332843	/nfs/dbraw/zinc/33/28/43/132332843.db2.gz	JRYUFKMHZJLZOA-WQRHYEAKSA-N	-1	0	402.366	3.892	50	10		HHCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccc(Br)cc23)C1=O	ZINC000009260120	132337770	/nfs/dbraw/zinc/33/77/70/132337770.db2.gz	JPRBGTHSVYYIML-OVCLIPMQSA-N	-1	0	424.254	3.905	50	10		HHCARM
O=C([O-])CCCN1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S	ZINC000072414708	527584517	/nfs/dbraw/zinc/58/45/17/527584517.db2.gz	KAYIOGUDZRKROW-PHRMNRNWSA-N	-1	0	412.876	3.784	50	10		HHCARM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S	ZINC000032056357	527656650	/nfs/dbraw/zinc/65/66/50/527656650.db2.gz	YJZNTHIWVCUTIH-BRVCPTFNSA-N	-1	0	407.476	3.657	50	10		HHCARM
CC(=O)n1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)c2ccccc21	ZINC000008737965	534961025	/nfs/dbraw/zinc/96/10/25/534961025.db2.gz	FMSDLMXCSFNXAP-WOJGMQOQSA-N	-1	0	401.422	3.789	50	10		HHCARM
COC(=O)c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000001197359	536603746	/nfs/dbraw/zinc/60/37/46/536603746.db2.gz	JKOQNVKQQYYFCB-XNTDXEJSSA-N	-1	0	400.843	3.798	50	10		HHCARM
O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Br)c(O)c3ccccc23)cc1	ZINC000000628559	557024308	/nfs/dbraw/zinc/02/43/08/557024308.db2.gz	HVTBTVKHGMJDAU-UHFFFAOYSA-N	-1	0	422.256	3.807	50	10		HHCARM
COC(=O)c1ccccc1NC(=O)Cn1c(CCC(=O)[O-])ccc1-c1cccs1	ZINC000001076462	557173204	/nfs/dbraw/zinc/17/32/04/557173204.db2.gz	PBCDBBQWYAKCBD-UHFFFAOYSA-N	-1	0	412.467	3.659	50	10		HHCARM
C[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2C(N)=O)C1	ZINC000013062828	558510195	/nfs/dbraw/zinc/51/01/95/558510195.db2.gz	WQRWLLAPYYHPBR-SECBINFHSA-N	-1	0	418.462	3.791	50	10		HHCARM
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C	ZINC000013551147	558539120	/nfs/dbraw/zinc/53/91/20/558539120.db2.gz	DNGXZUNKRHKDHZ-WQLSENKSSA-N	-1	0	408.310	3.780	50	10		HHCARM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3O[C@H]2C)SC1=S	ZINC000013730148	558586336	/nfs/dbraw/zinc/58/63/36/558586336.db2.gz	YZESAYPDGUCDEM-GYDYDZNFSA-N	-1	0	421.565	3.801	50	10		HHCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OC)c1	ZINC000014011061	558613233	/nfs/dbraw/zinc/61/32/33/558613233.db2.gz	OMPFIZUVWXYGGP-CPNJWEJPSA-N	-1	0	407.470	3.516	50	10		HHCARM
Cc1cccc(N2[N-]C(=O)/C(=C/c3cccn3-c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1	ZINC000016349486	558787551	/nfs/dbraw/zinc/78/75/51/558787551.db2.gz	DSAIFPOMWKECSG-BOPFTXTBSA-N	-1	0	422.828	3.809	50	10		HHCARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N2CCC(Cl)=N2)cc1	ZINC000016398894	558789729	/nfs/dbraw/zinc/78/97/29/558789729.db2.gz	DIPOQRMJQHHHPP-YBEGLDIGSA-N	-1	0	401.253	3.564	50	10		HHCARM
COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)[O-])c3)N=C2C)cc(Cl)c1OC	ZINC000004611945	558854181	/nfs/dbraw/zinc/85/41/81/558854181.db2.gz	XUHNFWAUECSSFY-VIZOYTHASA-N	-1	0	400.818	3.862	50	10		HHCARM
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCC(=O)[O-]	ZINC000100147723	559164448	/nfs/dbraw/zinc/16/44/48/559164448.db2.gz	DQYUYMBPUDGCMC-MHWRWJLKSA-N	-1	0	415.243	3.719	50	10		HHCARM
Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1cc([N+](=O)[O-])ccc1[O-]	ZINC000017905765	560730389	/nfs/dbraw/zinc/73/03/89/560730389.db2.gz	OCKLRQZRIQTKSU-UHFFFAOYSA-N	-1	0	404.785	3.517	50	10		HHCARM
Cc1cc2oc(=O)c3c(c2c([O-])c1C1=NN[C@@H](c2ccc(N(C)C)cc2)C1)CCC3	ZINC000012296335	568462572	/nfs/dbraw/zinc/46/25/72/568462572.db2.gz	BGDZFIMTHYEKTL-GOSISDBHSA-N	-1	0	403.482	3.800	50	10	biogenic	HHCARM
C[C@H](NCc1cc(Br)cc(Br)c1[O-])C(=O)OC(C)(C)C	ZINC000095997160	568679081	/nfs/dbraw/zinc/67/90/81/568679081.db2.gz	FPPNYYWMQFXSOG-QMMMGPOBSA-N	-1	0	409.118	3.737	50	10		HHCARM
O=C([O-])CSc1cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1O	ZINC000000944521	568754317	/nfs/dbraw/zinc/75/43/17/568754317.db2.gz	SVMSPCODNMIVPY-UHFFFAOYSA-N	-1	0	407.444	3.662	50	10		HHCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccnc1	ZINC000001407190	568928347	/nfs/dbraw/zinc/92/83/47/568928347.db2.gz	HIXBYWDOBXHSKD-CIAFOILYSA-N	-1	0	414.465	3.772	50	10		HHCARM
COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000006044711	568980152	/nfs/dbraw/zinc/98/01/52/568980152.db2.gz	URGQTGNTKKSFDI-NCUBORBFSA-N	-1	0	412.467	3.938	50	10		HHCARM
O=C([O-])c1cccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c1	ZINC000001798891	569053354	/nfs/dbraw/zinc/05/33/54/569053354.db2.gz	IITYTQXOHMKKQJ-UVTDQMKNSA-N	-1	0	418.521	3.676	50	10		HHCARM
COc1ccc(N2CCN(c3ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c3)CC2)cc1	ZINC000064589966	569069145	/nfs/dbraw/zinc/06/91/45/569069145.db2.gz	YHBKRGCABIEMAN-UHFFFAOYSA-N	-1	0	411.502	3.705	50	10		HHCARM
COc1ccc2nc(/C=C3\SC(=S)N([C@H](C(=O)[O-])C(C)C)C3=O)ccc2c1	ZINC000054360845	569072229	/nfs/dbraw/zinc/07/22/29/569072229.db2.gz	SXSLAJFRSAEVDU-TYWAAFNRSA-N	-1	0	402.497	3.554	50	10		HHCARM
CCCOc1ccccc1/C=C1/C(=O)[N-]N(c2cccc(Br)c2)C1=O	ZINC000002058440	569072477	/nfs/dbraw/zinc/07/24/77/569072477.db2.gz	WDTHFHASNKRDQW-WJDWOHSUSA-N	-1	0	401.260	3.699	50	10		HHCARM
O=c1c2ccccc2nc(-c2ccccc2F)n1NCc1cccc([N+](=O)[O-])c1[O-]	ZINC000027531335	569366905	/nfs/dbraw/zinc/36/69/05/569366905.db2.gz	IDEDYUVNBPZBRF-UHFFFAOYSA-N	-1	0	406.373	3.560	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000002221379	960470364	/nfs/dbraw/zinc/47/03/64/960470364.db2.gz	IMYLVOGPZOVIEX-RGEXLXHISA-N	-1	0	408.527	3.585	50	10		HHCARM
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c2ccccc12	ZINC000005043579	960644515	/nfs/dbraw/zinc/64/45/15/960644515.db2.gz	LGSUDYMGQCCVLQ-LGMDPLHJSA-N	-1	0	402.406	3.523	50	10		HHCARM
O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C/c1cnn(-c2ccc(Cl)cc2)c1	ZINC000040139849	966515269	/nfs/dbraw/zinc/51/52/69/966515269.db2.gz	JTTBSZXGHBJPJD-BJMVGYQFSA-N	-1	0	420.856	3.881	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1	ZINC000001186562	132241203	/nfs/dbraw/zinc/24/12/03/132241203.db2.gz	LTZBEQQSTLXAJH-FOWTUZBSSA-N	-1	0	415.902	3.755	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)cc1	ZINC000008809635	132333535	/nfs/dbraw/zinc/33/35/35/132333535.db2.gz	FWAZZUKXLHVCFM-LFIBNONCSA-N	-1	0	424.413	3.566	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1	ZINC000009851258	132343685	/nfs/dbraw/zinc/34/36/85/132343685.db2.gz	HJZUYCAGNUBLDN-LDADJPATSA-N	-1	0	423.881	3.668	50	10		HHCARM
Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(Br)cs3)C(=O)[N-]C2=S)c1	ZINC000009908224	132344083	/nfs/dbraw/zinc/34/40/83/132344083.db2.gz	URFMZXWGESLYRZ-AUWJEWJLSA-N	-1	0	421.341	3.959	50	10		HHCARM
CN1C(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)SC1=S	ZINC000001083666	557176355	/nfs/dbraw/zinc/17/63/55/557176355.db2.gz	YAPZIQCVCHLLCR-YWEYNIOJSA-N	-1	0	409.124	3.748	50	10		HHCARM
COc1ccc(S(=O)(=O)[N-]c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1OC	ZINC000001546077	557271781	/nfs/dbraw/zinc/27/17/81/557271781.db2.gz	NDPBMCKQJOZAQX-UHFFFAOYSA-N	-1	0	421.456	3.536	50	10	in-vitro	HHCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S	ZINC000008763407	557805930	/nfs/dbraw/zinc/80/59/30/557805930.db2.gz	SKZGBORSOYQUSU-KMHUVPDISA-N	-1	0	418.452	3.919	50	10		HHCARM
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1O	ZINC000009419165	557842089	/nfs/dbraw/zinc/84/20/89/557842089.db2.gz	JHDIQDXWNHIDHH-INIZCTEOSA-N	-1	0	417.259	3.697	50	10		HHCARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000013482393	558534438	/nfs/dbraw/zinc/53/44/38/558534438.db2.gz	NRXNPZVFDIWANY-NDENLUEZSA-N	-1	0	403.438	3.658	50	10		HHCARM
CN(C)c1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1	ZINC000013616030	558549405	/nfs/dbraw/zinc/54/94/05/558549405.db2.gz	VQXXDNHRQJJNBS-GFWHJHDHSA-N	-1	0	412.536	3.650	50	10		HHCARM
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000013658848	558559286	/nfs/dbraw/zinc/55/92/86/558559286.db2.gz	CUTVSVKPVSKODQ-YBEGLDIGSA-N	-1	0	401.465	3.564	50	10		HHCARM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3O[C@@H]2C)SC1=S	ZINC000013730143	558586334	/nfs/dbraw/zinc/58/63/34/558586334.db2.gz	YZESAYPDGUCDEM-RWJXEWCUSA-N	-1	0	421.565	3.801	50	10		HHCARM
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000013880901	558599657	/nfs/dbraw/zinc/59/96/57/558599657.db2.gz	XOFMBPFRUANQLW-ZSAINHDTSA-N	-1	0	415.492	3.953	50	10		HHCARM
COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(C(=O)[O-])ccc3Cl)o2)C1=O	ZINC000016225436	558779572	/nfs/dbraw/zinc/77/95/72/558779572.db2.gz	LXTFAHBNDNREFA-VGOFMYFVSA-N	-1	0	421.814	3.508	50	10		HHCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)cc1OC	ZINC000016511603	558795029	/nfs/dbraw/zinc/79/50/29/558795029.db2.gz	IUILDZPZBXZASJ-ATVHPVEESA-N	-1	0	402.406	3.523	50	10		HHCARM
COc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OCc1ccccc1	ZINC000016671455	558798666	/nfs/dbraw/zinc/79/86/66/558798666.db2.gz	XPEVTLJZABKDHG-LICLKQGHSA-N	-1	0	415.492	3.560	50	10		HHCARM
COC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000017083199	558815635	/nfs/dbraw/zinc/81/56/35/558815635.db2.gz	WAFOZVVFMMBGIO-TUHYSUIHSA-N	-1	0	405.516	3.879	50	10		HHCARM
CC(C)C1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=N)S1	ZINC000033326854	559059470	/nfs/dbraw/zinc/05/94/70/559059470.db2.gz	APXNRFIMXZBAAX-ICZFKYGZSA-N	-1	0	408.439	3.920	50	10		HHCARM
CC[C@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cccc1OC	ZINC000004783832	559062889	/nfs/dbraw/zinc/06/28/89/559062889.db2.gz	VJHYYRKZXMLMIX-DLRWLJPMSA-N	-1	0	400.475	3.667	50	10		HHCARM
COc1cccc(-c2csc([N-]S(=O)(=O)c3cc(OC)ccc3OC)n2)c1	ZINC000011615558	559114733	/nfs/dbraw/zinc/11/47/33/559114733.db2.gz	CSIQZUOCMNQDBD-UHFFFAOYSA-N	-1	0	406.485	3.637	50	10		HHCARM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1cc2ccccc2[nH]c1=O	ZINC000100147413	559130567	/nfs/dbraw/zinc/13/05/67/559130567.db2.gz	QOMPWXBJYIGNBR-OQLLNIDSSA-N	-1	0	407.813	3.686	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)[O-])SC2=S)cc1	ZINC000001895209	560583619	/nfs/dbraw/zinc/58/36/19/560583619.db2.gz	NCPKXJMRPPUMDB-YBEGLDIGSA-N	-1	0	401.465	3.564	50	10		HHCARM
COc1ccccc1N1C(=O)/C(=C/c2c(Cl)cccc2Cl)C(=O)[N-]C1=S	ZINC000005559137	560614982	/nfs/dbraw/zinc/61/49/82/560614982.db2.gz	XRGODNDSNXTTMM-PKNBQFBNSA-N	-1	0	407.278	3.833	50	10		HHCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000101150135	560787053	/nfs/dbraw/zinc/78/70/53/560787053.db2.gz	HAFNQMAKUFCAFX-MDWZMJQESA-N	-1	0	417.765	3.581	50	10		HHCARM
O=C([O-])c1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)cc1O	ZINC000006660243	568457042	/nfs/dbraw/zinc/45/70/42/568457042.db2.gz	SYBQUDYASGCIOQ-CAOOACKPSA-N	-1	0	411.460	3.815	50	10		HHCARM
COc1ccc(Cl)cc1/C=C1\C(=O)[N-]N(c2cccc(Br)c2)C1=O	ZINC000000841434	568610905	/nfs/dbraw/zinc/61/09/05/568610905.db2.gz	UXFBAFSCUZDDSJ-RIYZIHGNSA-N	-1	0	407.651	3.573	50	10		HHCARM
Cc1ccc(N2C(=O)C(=CNN3CCCC[C@@H]3c3cccnc3)C(=O)[N-]C2=S)cc1	ZINC000038176683	568975035	/nfs/dbraw/zinc/97/50/35/568975035.db2.gz	LYPRZQFFNFKLBW-YWXUCKCNSA-N	-1	0	421.526	3.594	50	10		HHCARM
O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccc[nH]c3=O)c12	ZINC000085879943	569009824	/nfs/dbraw/zinc/00/98/24/569009824.db2.gz	XZMHJIZJEQHMIU-UHFFFAOYSA-N	-1	0	418.409	3.506	50	10	biogenic	HHCARM
O=C([O-])CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S	ZINC000001908604	569057786	/nfs/dbraw/zinc/05/77/86/569057786.db2.gz	FNGXWOIGFSRSSD-ZROIWOOFSA-N	-1	0	404.425	3.531	50	10		HHCARM
COC(=O)c1ccccc1NC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccc(C)cc1	ZINC000006811741	569136227	/nfs/dbraw/zinc/13/62/27/569136227.db2.gz	GXCGQTMWSBMOCW-UHFFFAOYSA-N	-1	0	420.465	3.906	50	10		HHCARM
CC(C)(C)N1C(=O)[N-]C(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O	ZINC000002281592	569364096	/nfs/dbraw/zinc/36/40/96/569364096.db2.gz	ZXNDXWDHJISWPK-CPNJWEJPSA-N	-1	0	401.466	3.950	50	10		HHCARM
CCCCN1CCc2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)ccc21	ZINC000002366383	569388116	/nfs/dbraw/zinc/38/81/16/569388116.db2.gz	BAANTKIROMCJGC-HMMYKYKNSA-N	-1	0	403.482	3.716	50	10		HHCARM
C[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)N1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000010434579	571302738	/nfs/dbraw/zinc/30/27/38/571302738.db2.gz	QZAPNTGPYHULRL-ADVUTCEVSA-N	-1	0	418.521	3.675	50	10		HHCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1	ZINC000004473828	960592421	/nfs/dbraw/zinc/59/24/21/960592421.db2.gz	JKGMAXQQOZVFNK-ZROIWOOFSA-N	-1	0	403.232	3.832	50	10		HHCARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc([N+](=O)[O-])cc3)cc1)C2=O	ZINC000005031243	960640720	/nfs/dbraw/zinc/64/07/20/960640720.db2.gz	QNLRDTWLIGVDRB-UHFFFAOYSA-N	-1	0	404.334	3.886	50	10		HHCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)cc1	ZINC000005067205	960646392	/nfs/dbraw/zinc/64/63/92/960646392.db2.gz	WGBZIWNGYYGZSK-CHHVJCJISA-N	-1	0	412.829	3.859	50	10		HHCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1OC	ZINC000034234576	966414066	/nfs/dbraw/zinc/41/40/66/966414066.db2.gz	BFFORCWBAAHMPL-ATVHPVEESA-N	-1	0	419.437	3.730	50	10		HHCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]nc3-c3ccc(F)cc3)C2=O)cc1	ZINC000001423930	132245796	/nfs/dbraw/zinc/24/57/96/132245796.db2.gz	HLQMVJZFFDBGLY-LICLKQGHSA-N	-1	0	406.373	3.731	50	10		HHCARM
CCOc1cccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)C(=O)[N-]C2=S)c1	ZINC000002919914	132259576	/nfs/dbraw/zinc/25/95/76/132259576.db2.gz	YYJZSYORBOLLSJ-XSFVSMFZSA-N	-1	0	423.538	3.763	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)cc1	ZINC000002916142	132259617	/nfs/dbraw/zinc/25/96/17/132259617.db2.gz	XNJJXBAEYXKBFC-NTEUORMPSA-N	-1	0	421.703	3.934	50	10		HHCARM
CCOc1ccc(N2C(=O)/C(=C\c3c(C)n(C)c4ccccc34)C(=O)[N-]C2=S)cc1	ZINC000004472028	132277427	/nfs/dbraw/zinc/27/74/27/132277427.db2.gz	XWCURWNWCHODKM-UYRXBGFRSA-N	-1	0	419.506	3.717	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(O)cc3)C(=O)[N-]C2=S)c(C)c1	ZINC000004547168	132278360	/nfs/dbraw/zinc/27/83/60/132278360.db2.gz	RJHANYYDWUIERL-CPNJWEJPSA-N	-1	0	417.490	3.631	50	10		HHCARM
CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(CC)CC)cc3C)C2=O)c1	ZINC000004747757	132287276	/nfs/dbraw/zinc/28/72/76/132287276.db2.gz	RTAXXHXCKNUACX-KGENOOAVSA-N	-1	0	421.497	3.906	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)cc1	ZINC000004819632	132289350	/nfs/dbraw/zinc/28/93/50/132289350.db2.gz	RNLPABKJBBAOIS-SSZFMOIBSA-N	-1	0	412.877	3.765	50	10		HHCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC)ccc4ccccc43)C2=O)cc1	ZINC000005198042	132303824	/nfs/dbraw/zinc/30/38/24/132303824.db2.gz	JQXLCYQPNCXLJU-UYRXBGFRSA-N	-1	0	402.406	3.523	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccc(Br)cc34)C2=O)cc1	ZINC000009259893	132337766	/nfs/dbraw/zinc/33/77/66/132337766.db2.gz	COFQZQYHNYOXKS-LZYBPNLTSA-N	-1	0	424.254	3.905	50	10		HHCARM
O=C(c1sc2nc(N3CCOCC3)cc(-c3ccccc3)c2c1[O-])N1CCCC1	ZINC000020677147	132470736	/nfs/dbraw/zinc/47/07/36/132470736.db2.gz	AWKYQKFMIVOPLB-UHFFFAOYSA-N	-1	0	409.511	3.742	50	10		HHCARM
CC(=O)n1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21	ZINC000000830910	534960210	/nfs/dbraw/zinc/96/02/10/534960210.db2.gz	KMZGGCINSSLVJW-YVLHZVERSA-N	-1	0	407.813	3.621	50	10	biogenic	HHCARM
O=C1[N-]C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)C(=O)N1	ZINC000001048278	557157910	/nfs/dbraw/zinc/15/79/10/557157910.db2.gz	AUNPYRGRIVNTEK-UHFFFAOYSA-N	-1	0	418.249	3.734	50	10		HHCARM
CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	ZINC000001227908	557249041	/nfs/dbraw/zinc/24/90/41/557249041.db2.gz	COHIEJLWRGREHV-SEVUFMINSA-N	-1	0	400.319	3.760	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S	ZINC000002844680	557402459	/nfs/dbraw/zinc/40/24/59/557402459.db2.gz	IPUZEDZRHUASRQ-CXUHLZMHSA-N	-1	0	403.456	3.691	50	10		HHCARM
COc1ccc(OC)c(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccccc2)c1	ZINC000002868825	557413818	/nfs/dbraw/zinc/41/38/18/557413818.db2.gz	VIZBBHFFDPRVPY-UHFFFAOYSA-N	-1	0	408.454	3.828	50	10		HHCARM
COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCCC2	ZINC000004652336	557576130	/nfs/dbraw/zinc/57/61/30/557576130.db2.gz	RMGYGYBIBZRJDX-KOZAUXTDSA-N	-1	0	403.500	3.655	50	10		HHCARM
O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1	ZINC000002483401	557713647	/nfs/dbraw/zinc/71/36/47/557713647.db2.gz	SDFCCLPRBMXYOP-UHFFFAOYSA-N	-1	0	422.422	3.821	50	10		HHCARM
O=c1c2ccc3c(c2[n-]n1-c1ccc(Br)cc1)C(=O)c1ccccc1C3=O	ZINC000009036390	557820057	/nfs/dbraw/zinc/82/00/57/557820057.db2.gz	ICCVIYJQQWFGSJ-UHFFFAOYSA-N	-1	0	419.234	3.857	50	10		HHCARM
O=C([O-])c1cc(S(=O)(=O)[O-])cc(Nc2c3ccccc3[nH+]c3ccccc32)c1O	ZINC000020059087	558329148	/nfs/dbraw/zinc/32/91/48/558329148.db2.gz	SRVIFDUIJBULOP-UHFFFAOYSA-N	-1	0	410.407	3.782	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)SC1=S	ZINC000020211368	558347523	/nfs/dbraw/zinc/34/75/23/558347523.db2.gz	JZKDWZXUMZSSBS-JYRVWZFOSA-N	-1	0	423.313	3.526	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012512911	558424370	/nfs/dbraw/zinc/42/43/70/558424370.db2.gz	SHMZNOXQGMYZKM-WJDWOHSUSA-N	-1	0	408.801	3.500	50	10		HHCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1C	ZINC000004491443	558609552	/nfs/dbraw/zinc/60/95/52/558609552.db2.gz	DDYVTRMVDWMPLT-UNOMPAQXSA-N	-1	0	403.394	3.933	50	10		HHCARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000004502449	558615428	/nfs/dbraw/zinc/61/54/28/558615428.db2.gz	HNTCXVBLNRGWHP-LFIBNONCSA-N	-1	0	409.785	3.970	50	10		HHCARM
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4cccc(C)c4)C3=O)o2)cc1	ZINC000016265601	558781940	/nfs/dbraw/zinc/78/19/40/558781940.db2.gz	BLTVBJUYSIUMRC-ZHZULCJRSA-N	-1	0	416.433	3.893	50	10		HHCARM
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)[N-]N(c3cccc(C)c3)C2=O)o1	ZINC000016266786	558782247	/nfs/dbraw/zinc/78/22/47/558782247.db2.gz	BYELBXGMVBRIKL-PDGQHHTCSA-N	-1	0	419.393	3.633	50	10		HHCARM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1O	ZINC000017044534	558812744	/nfs/dbraw/zinc/81/27/44/558812744.db2.gz	YCIKNISWFCYMRD-VGOFMYFVSA-N	-1	0	400.818	3.542	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)[O-])SC2=S)cc1	ZINC000004746597	559045298	/nfs/dbraw/zinc/04/52/98/559045298.db2.gz	NCPKXJMRPPUMDB-MHWRWJLKSA-N	-1	0	401.465	3.564	50	10		HHCARM
CSCC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3ncccc3c2)SC1=S	ZINC000008993359	560640716	/nfs/dbraw/zinc/64/07/16/560640716.db2.gz	QVVJPHMEWMDWLW-GWQWUEFDSA-N	-1	0	404.538	3.642	50	10		HHCARM
CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4c(ccc3Cl)OCO4)C2=O)cc1	ZINC000005727493	560854497	/nfs/dbraw/zinc/85/44/97/560854497.db2.gz	SWPRWMNDHRZJPX-OQLLNIDSSA-N	-1	0	412.829	3.859	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)/C1=C\c1cccc(O)c1	ZINC000016156604	560859902	/nfs/dbraw/zinc/85/99/02/560859902.db2.gz	STFNDYHEZWIHTI-STZFKDTASA-N	-1	0	414.417	3.638	50	10		HHCARM
COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2cc(C)ccc2C)C1=O	ZINC000021670047	568736781	/nfs/dbraw/zinc/73/67/81/568736781.db2.gz	FURPUYSHUNCDNS-DHDCSXOGSA-N	-1	0	410.426	3.836	50	10		HHCARM
COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)[O-])c3)N=C2c2ccccc2)ccc1O	ZINC000005879781	568827760	/nfs/dbraw/zinc/82/77/60/568827760.db2.gz	XMEGEMPYBOKOBI-UNOMPAQXSA-N	-1	0	414.417	3.934	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)cc1	ZINC000004209171	568951898	/nfs/dbraw/zinc/95/18/98/568951898.db2.gz	UXSCSTDVMAJAIY-ZROIWOOFSA-N	-1	0	405.635	3.769	50	10		HHCARM
COc1cc(C=C2SC(Nc3cccc(C)c3)=NC2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000006044710	568980059	/nfs/dbraw/zinc/98/00/59/568980059.db2.gz	URGQTGNTKKSFDI-FHNWIRHTSA-N	-1	0	412.467	3.938	50	10		HHCARM
O=C([O-])c1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)c1	ZINC000001841674	569056446	/nfs/dbraw/zinc/05/64/46/569056446.db2.gz	YJHXKBQPSIPYQO-PTNGSMBKSA-N	-1	0	416.480	3.598	50	10		HHCARM
COc1ccc(NC(=O)Cn2c(CCC(=O)[O-])ccc2-c2ccc(OC)cc2)cc1	ZINC000006811742	569136180	/nfs/dbraw/zinc/13/61/80/569136180.db2.gz	SKVRHPRBRWKVRU-UHFFFAOYSA-N	-1	0	408.454	3.828	50	10		HHCARM
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCC(=O)[O-]	ZINC000002119890	569284925	/nfs/dbraw/zinc/28/49/25/569284925.db2.gz	UFZGKGZGKBXPJC-LICLKQGHSA-N	-1	0	415.492	3.560	50	10		HHCARM
C[C@H](N=NC(=N)S[C@@H]1CC(=O)N(c2cccc(C(=O)[O-])c2)C1=O)c1ccccc1	ZINC000027571127	569374559	/nfs/dbraw/zinc/37/45/59/569374559.db2.gz	ZAZHRZLVVYXGCW-SAXONUOESA-N	-1	0	410.455	3.898	50	10		HHCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C\c1c[nH]c2ccc(Br)cc12	ZINC000016212328	962984044	/nfs/dbraw/zinc/98/40/44/962984044.db2.gz	FJNRIQROBQXVSX-PXNMLYILSA-N	-1	0	424.254	3.592	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1	ZINC000001092435	132236821	/nfs/dbraw/zinc/23/68/21/132236821.db2.gz	FKRWZUSLCQXBSZ-FOWTUZBSSA-N	-1	0	415.902	3.755	50	10		HHCARM
COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)ccc1O	ZINC000001202455	132242150	/nfs/dbraw/zinc/24/21/50/132242150.db2.gz	XMHNOIPFJHKMDQ-MDWZMJQESA-N	-1	0	417.215	3.670	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1Br	ZINC000001213681	132242739	/nfs/dbraw/zinc/24/27/39/132242739.db2.gz	HGVPEOOKAQMSQV-LCYFTJDESA-N	-1	0	405.635	3.769	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/C=C/c1ccccc1	ZINC000002929149	132259938	/nfs/dbraw/zinc/25/99/38/132259938.db2.gz	XROASQHSRJPQKM-MBXCTOFRSA-N	-1	0	413.296	3.837	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000004820236	132289487	/nfs/dbraw/zinc/28/94/87/132289487.db2.gz	MBKLLNOWILNQMY-QGOAFFKASA-N	-1	0	412.877	3.765	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1	ZINC000009805871	132343496	/nfs/dbraw/zinc/34/34/96/132343496.db2.gz	BRFODMILZVFBHG-FOWTUZBSSA-N	-1	0	423.881	3.668	50	10		HHCARM
CCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(OC)cc3)C2=O)c2ccccc21	ZINC000012364145	132359025	/nfs/dbraw/zinc/35/90/25/132359025.db2.gz	FFMYOWAWFZRWHI-LDADJPATSA-N	-1	0	405.479	3.501	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)cc1	ZINC000012362880	132359052	/nfs/dbraw/zinc/35/90/52/132359052.db2.gz	CIADUBHGOBZQQW-AQTBWJFISA-N	-1	0	407.882	3.962	50	10		HHCARM
COc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)N=C2C)cc1[N+](=O)[O-]	ZINC000019897981	523416051	/nfs/dbraw/zinc/41/60/51/523416051.db2.gz	ZOTLWRBAIDFFRY-QPEQYQDCSA-N	-1	0	415.789	3.761	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4cccnc4)c3C)C2=O)cc1	ZINC000001176282	536183960	/nfs/dbraw/zinc/18/39/60/536183960.db2.gz	LPIYKLARIBDFJO-FYJGNVAPSA-N	-1	0	414.465	3.718	50	10		HHCARM
COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O	ZINC000001197607	537041655	/nfs/dbraw/zinc/04/16/55/537041655.db2.gz	IOVUQDFJPNAKCV-CPNJWEJPSA-N	-1	0	402.475	3.988	50	10		HHCARM
COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2OC)C1=O	ZINC000005043578	537041708	/nfs/dbraw/zinc/04/17/08/537041708.db2.gz	KTEMWRPWRGHLIL-LGMDPLHJSA-N	-1	0	402.406	3.523	50	10		HHCARM
CCOc1c(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cccc1OC	ZINC000000686952	557058922	/nfs/dbraw/zinc/05/89/22/557058922.db2.gz	VYRFGNSFUQKDDO-UKTHLTGXSA-N	-1	0	407.253	3.862	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OCc1ccccc1	ZINC000001188278	557235011	/nfs/dbraw/zinc/23/50/11/557235011.db2.gz	XPEVTLJZABKDHG-YVLHZVERSA-N	-1	0	415.492	3.560	50	10		HHCARM
Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(C(=O)[O-])c1	ZINC000002185500	557324170	/nfs/dbraw/zinc/32/41/70/557324170.db2.gz	CIUHESIPAWCHNN-UDWIEESQSA-N	-1	0	415.474	3.563	50	10		HHCARM
C[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)c2C(N)=O)C1	ZINC000013061753	558510012	/nfs/dbraw/zinc/51/00/12/558510012.db2.gz	SWKUMRAJPFJQGO-SECBINFHSA-N	-1	0	418.462	3.791	50	10		HHCARM
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000013606959	558548052	/nfs/dbraw/zinc/54/80/52/558548052.db2.gz	BVFSFYVLCKRKLT-SXGWCWSVSA-N	-1	0	412.492	3.533	50	10		HHCARM
CCOC(=O)C1CCN(Cc2cc(Br)cc(Br)c2[O-])CC1	ZINC000016662810	558798349	/nfs/dbraw/zinc/79/83/49/558798349.db2.gz	XGCHAFPKDCHPPK-UHFFFAOYSA-N	-1	0	421.129	3.692	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C/c2ccc(COc3cccc(Cl)c3)o2)SC1=S	ZINC000017088365	558817147	/nfs/dbraw/zinc/81/71/47/558817147.db2.gz	CVFDAJJBMHJKPF-AUWJEWJLSA-N	-1	0	409.872	3.798	50	10		HHCARM
Cc1cccc(Cn2cccc2/C=C2/C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1	ZINC000013689343	558855400	/nfs/dbraw/zinc/85/54/00/558855400.db2.gz	QGOPZUBUVHONND-MOSHPQCFSA-N	-1	0	403.413	3.650	50	10		HHCARM
CCCCN1C(=O)[N-]C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O	ZINC000004808271	559068565	/nfs/dbraw/zinc/06/85/65/559068565.db2.gz	OURAMNSXBKSAGB-ZHZULCJRSA-N	-1	0	401.466	3.952	50	10		HHCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc5c(c4)COC5=O)o3)C2=O)cc1C	ZINC000004837043	559166255	/nfs/dbraw/zinc/16/62/55/559166255.db2.gz	ZJEXVMOQINXUOF-JAIQZWGSSA-N	-1	0	414.417	3.695	50	10		HHCARM
O=C1[N-]C(=O)C(=Cc2c(OCc3ccccc3Cl)ccc3ccccc32)C(=O)N1	ZINC000001176336	560727552	/nfs/dbraw/zinc/72/75/52/560727552.db2.gz	KNTKDCHNNZXWCF-UHFFFAOYSA-N	-1	0	406.825	3.822	50	10		HHCARM
CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1	ZINC000102540591	560814341	/nfs/dbraw/zinc/81/43/41/560814341.db2.gz	PIBZMBLAMDPJHS-UNOMPAQXSA-N	-1	0	422.510	3.923	50	10		HHCARM
CCCCC(CCCC)NC=C1C(=O)[N-]C(=O)N(c2ccc(OCC)cc2)C1=O	ZINC000103904811	560844954	/nfs/dbraw/zinc/84/49/54/560844954.db2.gz	KBWWUQJUSZSZHI-XDJHFCHBSA-N	-1	0	401.507	3.891	50	10		HHCARM
COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC	ZINC000015723399	560855981	/nfs/dbraw/zinc/85/59/81/560855981.db2.gz	UKMFLVXYOMELAW-NTUHNPAUSA-N	-1	0	421.236	3.677	50	10		HHCARM
CCOc1ccccc1Oc1c(C)oc2c(ccc([O-])c2CN2CCN(C)CC2)c1=O	ZINC000020358396	568600688	/nfs/dbraw/zinc/60/06/88/568600688.db2.gz	HPIBSZFABLCXJB-UHFFFAOYSA-N	-1	0	424.497	3.745	50	10		HHCARM
O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1	ZINC000015219864	568819065	/nfs/dbraw/zinc/81/90/65/568819065.db2.gz	DKGVKDUTYYCHPA-ZSOIEALJSA-N	-1	0	403.397	3.614	50	10		HHCARM
O=C(Nc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000019108167	568835207	/nfs/dbraw/zinc/83/52/07/568835207.db2.gz	WDPZELJVQVPBMJ-UHFFFAOYSA-N	-1	0	410.480	3.744	50	10		HHCARM
COc1cccc(CNC(=O)c2c[n-]n3c2nc(C)c(Cc2ccc(C)cc2)c3=O)c1	ZINC000003025848	568841405	/nfs/dbraw/zinc/84/14/05/568841405.db2.gz	JJGIELDKLIJKEO-UHFFFAOYSA-N	-1	0	416.481	3.581	50	10		HHCARM
O=C1c2ccccc2N[C@H](c2cc(Cl)cc([N+](=O)[O-])c2[O-])N1C[C@@H]1CCCO1	ZINC000012555011	568855223	/nfs/dbraw/zinc/85/52/23/568855223.db2.gz	UXVDBZSCNQDGCJ-SGTLLEGYSA-N	-1	0	403.822	3.699	50	10		HHCARM
COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1	ZINC000083293434	568912780	/nfs/dbraw/zinc/91/27/80/568912780.db2.gz	ZTBJFFTVDGMVLV-XSFVSMFZSA-N	-1	0	405.454	3.798	50	10		HHCARM
CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc1	ZINC000004271886	568957211	/nfs/dbraw/zinc/95/72/11/568957211.db2.gz	RGQMJIUVVRZKCN-SXGWCWSVSA-N	-1	0	400.481	3.562	50	10		HHCARM
Cc1nc2cc(C(=O)NCc3cc([N+](=O)[O-])ccc3[O-])ccc2n1-c1ccccc1	ZINC000035447188	569037393	/nfs/dbraw/zinc/03/73/93/569037393.db2.gz	SXJQWLFOVHVWNL-UHFFFAOYSA-N	-1	0	402.410	3.878	50	10		HHCARM
CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCC(C)C)cc3)C(=O)[N-]C2=S)c1	ZINC000006573626	569066683	/nfs/dbraw/zinc/06/66/83/569066683.db2.gz	JDXHIHZSQYWTJI-NDENLUEZSA-N	-1	0	424.522	3.951	50	10		HHCARM
COc1ccc(OCc2ccc(F)cc2)c(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1	ZINC000027572712	569374725	/nfs/dbraw/zinc/37/47/25/569374725.db2.gz	OTVXIDNBUPUWOB-KGENOOAVSA-N	-1	0	418.424	3.875	50	10		HHCARM
O=C([O-])[C@@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000013351473	569389774	/nfs/dbraw/zinc/38/97/74/569389774.db2.gz	NIJSCWCPASSJPI-HXUWFJFHSA-N	-1	0	419.433	3.632	50	10		HHCARM
CCOC(=O)N1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)CC1	ZINC000040020083	571139354	/nfs/dbraw/zinc/13/93/54/571139354.db2.gz	DXMFYNZOVMZUFQ-UHFFFAOYSA-N	-1	0	422.481	3.748	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=CNN3CCCC[C@H]3c3cccnc3)C2=O)cc1	ZINC000008974603	571197632	/nfs/dbraw/zinc/19/76/32/571197632.db2.gz	AUCGSNXLMGGLTP-ZAQQZEBGSA-N	-1	0	419.485	3.683	50	10		HHCARM
COc1ccc2c(c1)c(/C=C1\SC(=S)N([C@H](C(=O)[O-])C(C)C)C1=O)c(C)n2C	ZINC000009422886	571257427	/nfs/dbraw/zinc/25/74/27/571257427.db2.gz	BHQZUWYYWICPGE-STKCSNAVSA-N	-1	0	418.540	3.806	50	10		HHCARM
Cc1nc2c(C(=O)NC3CCCC3)c[n-]n2c(=O)c1Cc1ccc(F)cc1Cl	ZINC000009597720	571272477	/nfs/dbraw/zinc/27/24/77/571272477.db2.gz	AFSDDBQNGKLCLL-UHFFFAOYSA-N	-1	0	402.857	3.799	50	10		HHCARM
CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)[O-])SC2=S)cc1	ZINC000003243120	960479274	/nfs/dbraw/zinc/47/92/74/960479274.db2.gz	ITUWJUPKOKXVEZ-BOPFTXTBSA-N	-1	0	415.492	3.955	50	10		HHCARM
CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000001186691	132241270	/nfs/dbraw/zinc/24/12/70/132241270.db2.gz	UTULGLYISPUBJS-JLHYYAGUSA-N	-1	0	420.321	3.891	50	10		HHCARM
Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(F)cc2)C(=O)[N-]C1=S	ZINC000001203544	132242171	/nfs/dbraw/zinc/24/21/71/132242171.db2.gz	GBJGJANJUQTIGA-NTEUORMPSA-N	-1	0	419.275	3.728	50	10		HHCARM
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)s3)C2=O)c1	ZINC000001214625	132242732	/nfs/dbraw/zinc/24/27/32/132242732.db2.gz	WXJJHSOGOSIREW-MDWZMJQESA-N	-1	0	405.273	3.794	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1	ZINC000001225700	132242857	/nfs/dbraw/zinc/24/28/57/132242857.db2.gz	KAWUBTWGXSOXBX-NTEUORMPSA-N	-1	0	405.635	3.769	50	10		HHCARM
COc1ccc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(OC)c1OC	ZINC000001307578	132243903	/nfs/dbraw/zinc/24/39/03/132243903.db2.gz	QHTIKMZZHKZZAD-RVDMUPIBSA-N	-1	0	412.467	3.692	50	10		HHCARM
CCCn1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)c2ccccc21	ZINC000002387022	132253915	/nfs/dbraw/zinc/25/39/15/132253915.db2.gz	YRHAXODERQNCPA-GHRIWEEISA-N	-1	0	403.438	3.931	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(C)c4ccccc34)C2=O)cc1	ZINC000004649282	132280759	/nfs/dbraw/zinc/28/07/59/132280759.db2.gz	FORMDDZUPBADDA-UYRXBGFRSA-N	-1	0	403.438	3.552	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1N1CCCC1	ZINC000005484465	132306233	/nfs/dbraw/zinc/30/62/33/132306233.db2.gz	ZVRGSWDRRYYKKG-DTQAZKPQSA-N	-1	0	410.861	3.519	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1	ZINC000005979310	132308913	/nfs/dbraw/zinc/30/89/13/132308913.db2.gz	CLUITWRKEJTPHP-XMHGGMMESA-N	-1	0	408.527	3.585	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3OC)C2=O)cc1	ZINC000006830186	132318177	/nfs/dbraw/zinc/31/81/77/132318177.db2.gz	UDOWAAVLYFSRGX-VBKFSLOCSA-N	-1	0	410.426	3.782	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)cc1OC	ZINC000000715029	536597785	/nfs/dbraw/zinc/59/77/85/536597785.db2.gz	FJGNPJBCLLIIOC-SFQUDFHCSA-N	-1	0	418.474	3.688	50	10		HHCARM
Cc1cc2c(n1-c1ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc1)CC(C)(C)CC2=O	ZINC000002561817	557356615	/nfs/dbraw/zinc/35/66/15/557356615.db2.gz	GGLUXGJEGBAVLA-UHFFFAOYSA-N	-1	0	424.526	3.840	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S	ZINC000002932654	557428047	/nfs/dbraw/zinc/42/80/47/557428047.db2.gz	LVQWNJCZTPTCIK-AWNIVKPZSA-N	-1	0	424.843	3.794	50	10		HHCARM
COc1ccc(CN2C(=O)/C(=C/c3ccc(OCC(=O)[O-])cc3)SC2=S)cc1	ZINC000002984423	557436339	/nfs/dbraw/zinc/43/63/39/557436339.db2.gz	QEBYIXIEWHUPTO-YVLHZVERSA-N	-1	0	415.492	3.560	50	10		HHCARM
CCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1OC	ZINC000012419870	558403229	/nfs/dbraw/zinc/40/32/29/558403229.db2.gz	XJFZYIFEKWGTPS-VBKFSLOCSA-N	-1	0	409.529	3.940	50	10	biogenic	HHCARM
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1[O-]	ZINC000015011043	558700297	/nfs/dbraw/zinc/70/02/97/558700297.db2.gz	UWHRIEUPYVQVCJ-AUWJEWJLSA-N	-1	0	406.441	3.694	50	10		HHCARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NCc3cc(Cl)ccc3O)cc2)s1	ZINC000017198063	558825568	/nfs/dbraw/zinc/82/55/68/558825568.db2.gz	CKBPEGMSXFINPZ-UHFFFAOYSA-N	-1	0	424.935	3.872	50	10		HHCARM
CCOc1ccc(Br)cc1/C=C1\C(=O)[N-]N(c2ccc(C)c(C)c2)C1=O	ZINC000059475177	558936812	/nfs/dbraw/zinc/93/68/12/558936812.db2.gz	SNBWDCOJMFZURA-GZTJUZNOSA-N	-1	0	415.287	3.926	50	10		HHCARM
COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc(-c2ccccc2)cs1	ZINC000011615686	559114773	/nfs/dbraw/zinc/11/47/73/559114773.db2.gz	RFBILAHQZXHMCZ-UHFFFAOYSA-N	-1	0	403.485	3.578	50	10		HHCARM
COC(=O)c1cc(OC)c(OC)cc1N=C(C)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100423128	559199536	/nfs/dbraw/zinc/19/95/36/559199536.db2.gz	WFUUXMWRPIMXGA-MOSHPQCFSA-N	-1	0	409.442	3.599	50	10		HHCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCCCOc2ccccc2)cc1	ZINC000002180331	560585087	/nfs/dbraw/zinc/58/50/87/560585087.db2.gz	YGSOKJAQCRTUKG-PTGBLXJZSA-N	-1	0	414.461	3.996	50	10		HHCARM
COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2C)C1=O	ZINC000018173615	560781241	/nfs/dbraw/zinc/78/12/41/560781241.db2.gz	SNENMTYTJZGXLC-QGOAFFKASA-N	-1	0	402.475	3.988	50	10		HHCARM
Cc1nc2c(C(=O)NCCc3ccccc3)c[n-]n2c(=O)c1Cc1cccc(Cl)c1	ZINC000020136941	568589866	/nfs/dbraw/zinc/58/98/66/568589866.db2.gz	UAVXQUFHEGXKPN-UHFFFAOYSA-N	-1	0	420.900	3.960	50	10		HHCARM
Cn1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCC2)cn1	ZINC000095477914	568631201	/nfs/dbraw/zinc/63/12/01/568631201.db2.gz	NUKFSTHFLJUQPV-UHFFFAOYSA-N	-1	0	405.414	3.963	50	10		HHCARM
COc1ccc([C@H]2CC(c3c(C)cc4oc(=O)cc(C)c4c3[O-])=NN2)c(OC)c1OC	ZINC000012390496	568694985	/nfs/dbraw/zinc/69/49/85/568694985.db2.gz	USXPAYCQVJBPTA-CQSZACIVSA-N	-1	0	424.453	3.580	50	10		HHCARM
CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)cc1	ZINC000001129945	568773159	/nfs/dbraw/zinc/77/31/59/568773159.db2.gz	GLPNZKZLLHFHIQ-QGOAFFKASA-N	-1	0	411.889	3.848	50	10		HHCARM
O=c1c(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc2cccc3c2n1CC3	ZINC000218260651	568837164	/nfs/dbraw/zinc/83/71/64/568837164.db2.gz	XOGNRLFKQJVGRW-UHFFFAOYSA-N	-1	0	410.389	3.807	50	10		HHCARM
O=C(Oc1cccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)c1)c1ccc(F)cc1	ZINC000001118465	960458580	/nfs/dbraw/zinc/45/85/80/960458580.db2.gz	WQYNCZPJHZSILZ-XSFVSMFZSA-N	-1	0	402.381	3.506	50	10		HHCARM
COc1cc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)ccc1OCC(C)C	ZINC000015836950	962882686	/nfs/dbraw/zinc/88/26/86/962882686.db2.gz	QBIWOWIRQPIPBT-BOPFTXTBSA-N	-1	0	400.475	3.525	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc2c(c1)OCO2	ZINC000000653704	132230119	/nfs/dbraw/zinc/23/01/19/132230119.db2.gz	CXPAHVAZQAEBIG-VZUCSPMQSA-N	-1	0	421.261	3.553	50	10		HHCARM
COc1ccc([N+](=O)[O-])cc1C=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000001054940	132235825	/nfs/dbraw/zinc/23/58/25/132235825.db2.gz	MERKRMMOERSHLO-NTEUORMPSA-N	-1	0	401.762	3.764	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)[N-]C2=S)cc1	ZINC000001126622	132238188	/nfs/dbraw/zinc/23/81/88/132238188.db2.gz	PGOSKHUBXMDGGJ-SFQUDFHCSA-N	-1	0	409.486	3.566	50	10		HHCARM
COc1ccc(-n2cccc2/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000001153201	132239302	/nfs/dbraw/zinc/23/93/02/132239302.db2.gz	JGPKPNFLVJNWRF-CPNJWEJPSA-N	-1	0	421.840	3.806	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1Cl	ZINC000001163730	132239786	/nfs/dbraw/zinc/23/97/86/132239786.db2.gz	APMJUXGVSFVZSB-FOWTUZBSSA-N	-1	0	413.861	3.898	50	10		HHCARM
CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(OCC)c1	ZINC000001176704	132240383	/nfs/dbraw/zinc/24/03/83/132240383.db2.gz	ZLAXIWHGAVDUDT-XDHOZWIPSA-N	-1	0	408.454	3.767	50	10		HHCARM
O=C([O-])c1cc(/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc2ccccc21	ZINC000005930004	132308538	/nfs/dbraw/zinc/30/85/38/132308538.db2.gz	XTQXGOUUEHMOIF-FNORWQNLSA-N	-1	0	405.410	3.848	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1	ZINC000008739263	132332798	/nfs/dbraw/zinc/33/27/98/132332798.db2.gz	VKDXZYLIZQZZDJ-YBEGLDIGSA-N	-1	0	410.426	3.782	50	10		HHCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cccc(C(F)(F)F)c3)C2=O)cc1C	ZINC000009245425	132337501	/nfs/dbraw/zinc/33/75/01/132337501.db2.gz	DDXFCARYIKJPNK-MHWRWJLKSA-N	-1	0	403.360	3.901	50	10		HHCARM
CCCCN1CCc2cc(/C=C3\C(=O)[N-]C(=O)N(c4ccc(OC)cc4)C3=O)ccc21	ZINC000009109499	535275127	/nfs/dbraw/zinc/27/51/27/535275127.db2.gz	GFGIGGYFDHLZNQ-HMMYKYKNSA-N	-1	0	419.481	3.524	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3C)C2=O)cc1C	ZINC000002830496	536597187	/nfs/dbraw/zinc/59/71/87/536597187.db2.gz	FCLIIVIIRRMRCR-GXDHUFHOSA-N	-1	0	400.887	3.797	50	10		HHCARM
CN(C)c1ccc(/C=C2/SC(=S)N([C@H](Cc3ccccc3)C(=O)[O-])C2=O)cc1	ZINC000001269256	557253318	/nfs/dbraw/zinc/25/33/18/557253318.db2.gz	VQXXDNHRQJJNBS-CLEQQJOVSA-N	-1	0	412.536	3.650	50	10		HHCARM
CCCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-]	ZINC000002470713	557351131	/nfs/dbraw/zinc/35/11/31/557351131.db2.gz	QWMIXYRWNTWEND-LJQANCHMSA-N	-1	0	409.398	3.583	50	10		HHCARM
CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCC2	ZINC000004614284	557572605	/nfs/dbraw/zinc/57/26/05/557572605.db2.gz	RLSOPXMBRGJTNT-KOZAUXTDSA-N	-1	0	405.516	3.878	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000013058278	558509160	/nfs/dbraw/zinc/50/91/60/558509160.db2.gz	ZNFYXETVUVNULJ-YBEGLDIGSA-N	-1	0	401.465	3.808	50	10		HHCARM
COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000014944365	558679820	/nfs/dbraw/zinc/67/98/20/558679820.db2.gz	XFZYFNFEFFKRCP-HMFYCAOWSA-N	-1	0	420.465	3.504	50	10		HHCARM
O=C([O-])c1ccccc1NC(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S	ZINC000015746305	558751350	/nfs/dbraw/zinc/75/13/50/558751350.db2.gz	PUWHBLFXJWGIFD-GXDHUFHOSA-N	-1	0	418.521	3.676	50	10		HHCARM
COc1ccc(CN2C(=O)/C(=C/c3cc([N+](=O)[O-])ccc3[O-])SC2=S)cc1	ZINC000015837669	558756164	/nfs/dbraw/zinc/75/61/64/558756164.db2.gz	ASVZYCAFEMIAGW-SXGWCWSVSA-N	-1	0	402.453	3.710	50	10		HHCARM
O=C([O-])CCC(=O)N1N=C(c2ccccc2OC(F)F)C[C@H]1c1ccccc1O	ZINC000080316145	559022016	/nfs/dbraw/zinc/02/20/16/559022016.db2.gz	ZVLDMJZHTLKTEM-HNNXBMFYSA-N	-1	0	404.369	3.536	50	10		HHCARM
CCn1c(C)cc(C=C2C(=O)[N-]C(=S)N(c3ccc(OC)cc3OC)C2=O)c1C	ZINC000033334274	559063224	/nfs/dbraw/zinc/06/32/24/559063224.db2.gz	ARQQKLFZIKSCCX-YBEGLDIGSA-N	-1	0	413.499	3.814	50	10		HHCARM
COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ncccc1C	ZINC000100423625	559135125	/nfs/dbraw/zinc/13/51/25/559135125.db2.gz	SCDWYIRDQWLCRY-AQTBWJFISA-N	-1	0	421.482	3.652	50	10		HHCARM
O=C([O-])c1cc(/C=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc2ccccc21	ZINC000033489339	559198972	/nfs/dbraw/zinc/19/89/72/559198972.db2.gz	XTQXGOUUEHMOIF-ALCCZGGFSA-N	-1	0	405.410	3.848	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccccc1O	ZINC000033937818	560545052	/nfs/dbraw/zinc/54/50/52/560545052.db2.gz	ARFAMIINIAMWIC-JYRVWZFOSA-N	-1	0	403.257	3.826	50	10		HHCARM
N=C1/C(=C/c2ccc(C(=O)[O-])cc2)C(=O)N=C2SC(SCc3ccccc3)=NN21	ZINC000020138550	568590244	/nfs/dbraw/zinc/59/02/44/568590244.db2.gz	ZCCNPNMJHAVASI-ACXWOISZSA-N	-1	0	422.491	3.895	50	10		HHCARM
COc1ccccc1-c1csc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1	ZINC000095350096	568600730	/nfs/dbraw/zinc/60/07/30/568600730.db2.gz	NTZQAQUHHXSVTF-UHFFFAOYSA-N	-1	0	418.496	3.781	50	10		HHCARM
Cc1cc(Br)c([O-])c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1	ZINC000095365177	568602068	/nfs/dbraw/zinc/60/20/68/568602068.db2.gz	QRNQSMUQFAFVDH-UHFFFAOYSA-N	-1	0	421.360	3.946	50	10		HHCARM
COc1ccc(OC)c([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)c1	ZINC000012391621	568696143	/nfs/dbraw/zinc/69/61/43/568696143.db2.gz	ZYDZPUNOLVTHBD-QGZVFWFLSA-N	-1	0	420.465	3.752	50	10		HHCARM
COc1ccc(S(=O)(=O)Nc2cc(SCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000002497212	568776427	/nfs/dbraw/zinc/77/64/27/568776427.db2.gz	WWPDFQGBFIREKS-UHFFFAOYSA-N	-1	0	419.480	3.532	50	10		HHCARM
Cc1cc(NS(=O)(=O)c2ccccc2)c(C)c(S(=O)(=O)c2ccccc2)c1[O-]	ZINC000002503805	568777535	/nfs/dbraw/zinc/77/75/35/568777535.db2.gz	HTVZLIUVADNULV-UHFFFAOYSA-N	-1	0	417.508	3.643	50	10		HHCARM
COc1ccc2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000001197386	568823018	/nfs/dbraw/zinc/82/30/18/568823018.db2.gz	VZZRGJYMJURBGG-XDHOZWIPSA-N	-1	0	404.397	3.650	50	10		HHCARM
CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)ccc1O	ZINC000001303355	568913351	/nfs/dbraw/zinc/91/33/51/568913351.db2.gz	KCIYXBRQZMNVFB-SXGWCWSVSA-N	-1	0	401.465	3.895	50	10		HHCARM
O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl	ZINC000001406456	568928174	/nfs/dbraw/zinc/92/81/74/568928174.db2.gz	NIZOMGSJBXIJAN-OQLLNIDSSA-N	-1	0	407.228	3.837	50	10		HHCARM
COc1ccc(Br)cc1/C=C1\C(=O)[N-]N(c2ccc(C)c(C)c2)C1=O	ZINC000001425108	568938951	/nfs/dbraw/zinc/93/89/51/568938951.db2.gz	DKLZENJDUNHSOY-MHWRWJLKSA-N	-1	0	401.260	3.536	50	10		HHCARM
CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1O	ZINC000038169536	568974129	/nfs/dbraw/zinc/97/41/29/568974129.db2.gz	GSOLEQAVWYROFO-QPEQYQDCSA-N	-1	0	402.790	3.657	50	10		HHCARM
COc1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)ccc1O	ZINC000085875107	569009449	/nfs/dbraw/zinc/00/94/49/569009449.db2.gz	YJVXMICMSUQCMW-UHFFFAOYSA-N	-1	0	421.409	3.997	50	10	biogenic	HHCARM
Cc1cc(Br)c([O-])c([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1	ZINC000001756431	569052041	/nfs/dbraw/zinc/05/20/41/569052041.db2.gz	NXDQHZDLIIEYSV-RDJZCZTQSA-N	-1	0	401.260	3.633	50	10	biogenic	HHCARM
CCOC(=O)c1c(C)n[nH]c1N=Nc1c(=O)n(-c2ccccc2)[n-]c1-c1ccccc1	ZINC000252643870	569318883	/nfs/dbraw/zinc/31/88/83/569318883.db2.gz	ZYLRHQICOVSFPF-IBGZPJMESA-N	-1	0	416.441	3.798	50	10		HHCARM
COC(=O)c1[nH]c2ccccc2c1C=C1C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O	ZINC000002289805	569365124	/nfs/dbraw/zinc/36/51/24/569365124.db2.gz	CCAKQCFQNBTLBJ-MHWRWJLKSA-N	-1	0	421.384	3.596	50	10		HHCARM
CCCn1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(OC)cc3)C2=O)c2ccccc21	ZINC000002369364	569388595	/nfs/dbraw/zinc/38/85/95/569388595.db2.gz	ICMRSNCIBHSTHS-DEDYPNTBSA-N	-1	0	417.465	3.926	50	10		HHCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c4ccccc34)C2=O)cc1	ZINC000001192445	960460627	/nfs/dbraw/zinc/46/06/27/960460627.db2.gz	PRNZOAXPJNYVQW-CPNJWEJPSA-N	-1	0	402.406	3.523	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1	ZINC000002214224	960470463	/nfs/dbraw/zinc/47/04/63/960470463.db2.gz	JPOFMLYYAYBIJD-JXAWBTAJSA-N	-1	0	408.527	3.585	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)s1	ZINC000001153828	132239356	/nfs/dbraw/zinc/23/93/56/132239356.db2.gz	LKXDJSDNNHFXCH-YRNVUSSQSA-N	-1	0	411.664	3.830	50	10		HHCARM
COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1OC(C)C	ZINC000001154205	132239583	/nfs/dbraw/zinc/23/95/83/132239583.db2.gz	RYAKOUXXUMGTPV-LFIBNONCSA-N	-1	0	414.845	3.802	50	10		HHCARM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cccnc3)c2C)C1=O	ZINC000001176229	132240499	/nfs/dbraw/zinc/24/04/99/132240499.db2.gz	UNNCOOYUDZNGIZ-DEDYPNTBSA-N	-1	0	414.465	3.718	50	10		HHCARM
COc1ccc(Cl)cc1C=C1C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000004819235	132289354	/nfs/dbraw/zinc/28/93/54/132289354.db2.gz	VRTKTTDTYMFBPB-NTEUORMPSA-N	-1	0	401.762	3.764	50	10		HHCARM
CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)cc1	ZINC000005024724	132298679	/nfs/dbraw/zinc/29/86/79/132298679.db2.gz	JPOFMLYYAYBIJD-NBVRZTHBSA-N	-1	0	408.527	3.585	50	10		HHCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3c(OC)ccc4ccccc43)C2=O)c1	ZINC000005043774	132299387	/nfs/dbraw/zinc/29/93/87/132299387.db2.gz	WBLJZVUSLUXUSE-UYRXBGFRSA-N	-1	0	402.406	3.523	50	10		HHCARM
CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CCCN3Cc2ccccc2)C1=O	ZINC000009012026	132334945	/nfs/dbraw/zinc/33/49/45/132334945.db2.gz	WSIMACRLKNRRHT-LTGZKZEYSA-N	-1	0	417.509	3.901	50	10		HHCARM
O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2	ZINC000009015847	132335029	/nfs/dbraw/zinc/33/50/29/132335029.db2.gz	JDJIYHXJQCUAEM-PGMHBOJBSA-N	-1	0	419.525	3.738	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(O)ccc4ccccc43)C2=O)cc1	ZINC000019770528	521037248	/nfs/dbraw/zinc/03/72/48/521037248.db2.gz	GIRVJGVCYQBHTO-UYRXBGFRSA-N	-1	0	402.406	3.611	50	10		HHCARM
COc1ccc(Br)cc1/C=C1/SC(=S)N(CCCC(=O)[O-])C1=O	ZINC000040938498	523489732	/nfs/dbraw/zinc/48/97/32/523489732.db2.gz	MRUMJWXOGBWVSQ-XYOKQWHBSA-N	-1	0	416.318	3.524	50	10		HHCARM
CCCN1CCCc2cc(/C=C3\C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)ccc21	ZINC000005643222	534914077	/nfs/dbraw/zinc/91/40/77/534914077.db2.gz	PVKGUFFFSWQHAZ-HMMYKYKNSA-N	-1	0	403.482	3.511	50	10		HHCARM
CCn1c(C)cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1C	ZINC000000686753	535963940	/nfs/dbraw/zinc/96/39/40/535963940.db2.gz	CWCZHZOOHUUBNO-CXUHLZMHSA-N	-1	0	401.919	3.918	50	10		HHCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)[N-]C2=S)cc1	ZINC000004675368	536658799	/nfs/dbraw/zinc/65/87/99/536658799.db2.gz	SWNOZLPYJPUIRE-HKWRFOASSA-N	-1	0	421.522	3.517	50	10		HHCARM
O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccccc1	ZINC000019814095	558287174	/nfs/dbraw/zinc/28/71/74/558287174.db2.gz	KAXGSYSNMANGGZ-QSJINSDNSA-N	-1	0	413.296	3.837	50	10		HHCARM
COc1cccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1OC	ZINC000013121989	558517521	/nfs/dbraw/zinc/51/75/21/558517521.db2.gz	FWZXAFVNVQVFNB-UVQBRAAOSA-N	-1	0	415.492	3.731	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(N(CC)CC)cc3)C2=O)cc1	ZINC000013718518	558580636	/nfs/dbraw/zinc/58/06/36/558580636.db2.gz	YRBNOMARKSIGQD-HKWRFOASSA-N	-1	0	422.485	3.510	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1	ZINC000015010280	558699951	/nfs/dbraw/zinc/69/99/51/558699951.db2.gz	BPCXNICOOWQJGC-FMIVXFBMSA-N	-1	0	407.278	3.833	50	10		HHCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CN3c4ccc(F)cc4CC[C@H]3C)C2=O)c1C	ZINC000016212586	558778579	/nfs/dbraw/zinc/77/85/79/558778579.db2.gz	GOCUMPODTJLOEA-IIMQCXAKSA-N	-1	0	407.445	3.751	50	10		HHCARM
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000017029319	558812451	/nfs/dbraw/zinc/81/24/51/558812451.db2.gz	YUGWOKCYIFDQEW-GDNBJRDFSA-N	-1	0	401.216	3.964	50	10		HHCARM
COC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000017083202	558815756	/nfs/dbraw/zinc/81/57/56/558815756.db2.gz	WAFOZVVFMMBGIO-UQZDFYISSA-N	-1	0	405.516	3.879	50	10		HHCARM
COC(=O)c1ccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004623631	558887543	/nfs/dbraw/zinc/88/75/43/558887543.db2.gz	XFZYFNFEFFKRCP-SPEDKVCISA-N	-1	0	420.465	3.504	50	10		HHCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12	ZINC000004682194	558895081	/nfs/dbraw/zinc/89/50/81/558895081.db2.gz	JGEGELJKOFHYOF-OVCLIPMQSA-N	-1	0	416.275	3.725	50	10		HHCARM
CC[C@@H](C)Oc1c(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cccc1OC	ZINC000004783830	559062886	/nfs/dbraw/zinc/06/28/86/559062886.db2.gz	VJHYYRKZXMLMIX-INQVIGDZSA-N	-1	0	400.475	3.667	50	10		HHCARM
COC(=O)Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1cccc(C)n1	ZINC000100423387	559135110	/nfs/dbraw/zinc/13/51/10/559135110.db2.gz	PTCVEYKLGXMYCD-UYRXBGFRSA-N	-1	0	421.482	3.652	50	10		HHCARM
CC(C)Oc1ccccc1/C=C1/C(=O)[N-]N(c2cccc(Br)c2)C1=O	ZINC000005381422	560577581	/nfs/dbraw/zinc/57/75/81/560577581.db2.gz	GAMNHAZTEFCMOC-YBEGLDIGSA-N	-1	0	401.260	3.698	50	10		HHCARM
COc1cc(OC)cc([C@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)c1	ZINC000012296730	568462420	/nfs/dbraw/zinc/46/24/20/568462420.db2.gz	OOSJRPNKUUFLHJ-GOSISDBHSA-N	-1	0	420.465	3.752	50	10	biogenic	HHCARM
COc1ccc([C@@H]2CC(c3c(C)cc4oc(=O)c5c(c4c3[O-])CCC5)=NN2)cc1OC	ZINC000012296803	568462464	/nfs/dbraw/zinc/46/24/64/568462464.db2.gz	NHDFXFXYSOHDOB-INIZCTEOSA-N	-1	0	420.465	3.752	50	10	biogenic	HHCARM
COc1ccc(N2C(=O)/C(=C\c3cc(OC)c([O-])c([N+](=O)[O-])c3)SC2=S)cc1	ZINC000015011891	568737489	/nfs/dbraw/zinc/73/74/89/568737489.db2.gz	WBMZVOFDJSZLTL-OQLLNIDSSA-N	-1	0	418.452	3.723	50	10		HHCARM
COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000001240129	568907626	/nfs/dbraw/zinc/90/76/26/568907626.db2.gz	YJHDOJNSKXWQFT-YBEGLDIGSA-N	-1	0	401.465	3.808	50	10		HHCARM
COc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)c(OC)c1	ZINC000001250105	568908756	/nfs/dbraw/zinc/90/87/56/568908756.db2.gz	QLPGPHPPKQZNJY-LPPOOGIUSA-N	-1	0	415.492	3.731	50	10		HHCARM
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1	ZINC000013452500	569255673	/nfs/dbraw/zinc/25/56/73/569255673.db2.gz	LRIVHBGJSNUONR-RGEXLXHISA-N	-1	0	402.406	3.585	50	10		HHCARM
O=C([O-])c1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)c1	ZINC000008763461	571114403	/nfs/dbraw/zinc/11/44/03/571114403.db2.gz	YJHXKBQPSIPYQO-RVDMUPIBSA-N	-1	0	416.480	3.598	50	10		HHCARM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccnc3ccccc23)SC1=S	ZINC000009422225	571257369	/nfs/dbraw/zinc/25/73/69/571257369.db2.gz	BVFHCGTZCCBDAA-MKRLJBPISA-N	-1	0	404.538	3.642	50	10		HHCARM
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000009507178	571263673	/nfs/dbraw/zinc/26/36/73/571263673.db2.gz	PUYQZPYUOCALKF-UHFFFAOYSA-N	-1	0	418.377	3.905	50	10		HHCARM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1OC	ZINC000001200223	960461367	/nfs/dbraw/zinc/46/13/67/960461367.db2.gz	SVBSPEYQOPMVLV-PDGQHHTCSA-N	-1	0	408.454	3.884	50	10		HHCARM
CCCCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1OC	ZINC000002966134	960477090	/nfs/dbraw/zinc/47/70/90/960477090.db2.gz	XEYNDNPTQYTYLZ-QGOAFFKASA-N	-1	0	408.454	3.536	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1cccn1-c1cccc([N+](=O)[O-])c1	ZINC000015722663	962850590	/nfs/dbraw/zinc/85/05/90/962850590.db2.gz	MQGBSWAVCIXXJY-AQTBWJFISA-N	-1	0	402.366	3.892	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)s3)C(=O)[N-]C2=S)c(C)c1	ZINC000000664705	132230278	/nfs/dbraw/zinc/23/02/78/132230278.db2.gz	PUSRREHSLFSXRR-XYOKQWHBSA-N	-1	0	421.341	3.959	50	10		HHCARM
CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccccc3)C(=O)[N-]C2=S)cc1	ZINC000000693786	132231021	/nfs/dbraw/zinc/23/10/21/132231021.db2.gz	BSXMPOHGOBOKCK-HMMYKYKNSA-N	-1	0	401.491	3.871	50	10		HHCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1	ZINC000000708686	132231308	/nfs/dbraw/zinc/23/13/08/132231308.db2.gz	RLUTXHNLZIYJRF-LDADJPATSA-N	-1	0	411.914	3.772	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc([N+](=O)[O-])ccc3OC)C2=O)cc1	ZINC000001054950	132235877	/nfs/dbraw/zinc/23/58/77/132235877.db2.gz	YJNHITFVHVEREJ-LFIBNONCSA-N	-1	0	411.370	3.509	50	10		HHCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1C	ZINC000001194343	132241490	/nfs/dbraw/zinc/24/14/90/132241490.db2.gz	SQNZSJFUVRJCCH-OQLLNIDSSA-N	-1	0	402.248	3.911	50	10		HHCARM
COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc4ccccc43)C2=O)c(OC)c1	ZINC000001508238	132246978	/nfs/dbraw/zinc/24/69/78/132246978.db2.gz	AXHYPZQPCSVHIA-PDGQHHTCSA-N	-1	0	402.406	3.523	50	10		HHCARM
CCc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccccc2)C(=O)[N-]C1=S	ZINC000004739024	132286394	/nfs/dbraw/zinc/28/63/94/132286394.db2.gz	UWENTBPAFKZNLC-CYVLTUHYSA-N	-1	0	401.491	3.871	50	10		HHCARM
Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)s3)C(=O)[N-]C2=S)c(C)c1	ZINC000009262623	132337753	/nfs/dbraw/zinc/33/77/53/132337753.db2.gz	PUSRREHSLFSXRR-WQLSENKSSA-N	-1	0	421.341	3.959	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1N1CCCCC1	ZINC000009349596	132338958	/nfs/dbraw/zinc/33/89/58/132338958.db2.gz	DSTHBTXZSZVVRH-SAPNQHFASA-N	-1	0	424.888	3.909	50	10		HHCARM
Cc1ccsc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O	ZINC000012363098	132359021	/nfs/dbraw/zinc/35/90/21/132359021.db2.gz	ONUMTSJPHKBLGU-WQLSENKSSA-N	-1	0	407.314	3.650	50	10		HHCARM
CC[C@@H](C)Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000014010634	132459760	/nfs/dbraw/zinc/45/97/60/132459760.db2.gz	FMPLIHIUSJOGSU-GYZOOYGHSA-N	-1	0	408.454	3.847	50	10		HHCARM
COc1ccc(C[NH2+]Cc2c([O-])c(Cl)cc3c4c(c(=O)oc32)CCC4)c(OC)c1	ZINC000020573592	524072419	/nfs/dbraw/zinc/07/24/19/524072419.db2.gz	MUKROMYWKQCUMQ-UHFFFAOYSA-N	-1	0	415.873	3.948	50	10		HHCARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000000857543	526089790	/nfs/dbraw/zinc/08/97/90/526089790.db2.gz	WFIMXRMBCFOXLH-MOSHPQCFSA-N	-1	0	403.413	3.900	50	10		HHCARM
O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc([O-])c(Cl)c1	ZINC000054017794	526682966	/nfs/dbraw/zinc/68/29/66/526682966.db2.gz	MRQCVUWDHVCPGI-UHFFFAOYSA-N	-1	0	414.811	3.831	50	10		HHCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1c[nH]c2ccccc12	ZINC000000904383	527049042	/nfs/dbraw/zinc/04/90/42/527049042.db2.gz	XHDBXRGIKGMDBT-DHDCSXOGSA-N	-1	0	410.227	3.597	50	10		HHCARM
COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)c2ccccc12	ZINC000004723772	536597294	/nfs/dbraw/zinc/59/72/94/536597294.db2.gz	LACOPTRJIKKMTL-WOJGMQOQSA-N	-1	0	406.438	3.819	50	10		HHCARM
COc1cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)ccc1OCc1ccccc1	ZINC000000967105	557127306	/nfs/dbraw/zinc/12/73/06/557127306.db2.gz	PXTOHAYEDIHZAY-LICLKQGHSA-N	-1	0	415.492	3.560	50	10		HHCARM
CCC[C@@H]1CCc2c(sc([N-]S(=O)(=O)c3ccc(OC)cc3)c2C(N)=O)C1	ZINC000004522067	557563275	/nfs/dbraw/zinc/56/32/75/557563275.db2.gz	VGBLNVNJPHGYPM-GFCCVEGCSA-N	-1	0	408.545	3.561	50	10		HHCARM
CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)[O-])cc2C1=O	ZINC000004724321	557586834	/nfs/dbraw/zinc/58/68/34/557586834.db2.gz	GQWQLLHVRGEHDV-UHFFFAOYSA-N	-1	0	400.818	3.543	50	10		HHCARM
COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c1	ZINC000013750298	558589377	/nfs/dbraw/zinc/58/93/77/558589377.db2.gz	FRUCQPCOKPTLDK-YBEGLDIGSA-N	-1	0	401.465	3.808	50	10		HHCARM
Cc1cc(C(=O)CSc2nnc(C)c(=O)[n-]2)c(C)n1-c1ccc(OC(F)F)cc1	ZINC000024746983	558609690	/nfs/dbraw/zinc/60/96/90/558609690.db2.gz	WQUBONHLTAGXLV-UHFFFAOYSA-N	-1	0	420.441	3.870	50	10		HHCARM
CCOc1cc(Cl)c(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1OCC	ZINC000004783823	559062873	/nfs/dbraw/zinc/06/28/73/559062873.db2.gz	KNGUGYWWGBPZEC-XNTDXEJSSA-N	-1	0	420.893	3.932	50	10		HHCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1	ZINC000005073422	559241722	/nfs/dbraw/zinc/24/17/22/559241722.db2.gz	LPWGQEHMEASIDD-UNOMPAQXSA-N	-1	0	403.394	3.933	50	10		HHCARM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O	ZINC000015836353	560857726	/nfs/dbraw/zinc/85/77/26/560857726.db2.gz	IHQDPRAKUJMXOF-AWNIVKPZSA-N	-1	0	421.236	3.764	50	10		HHCARM
COc1ccc2c(/C=C3\SC(=S)N([C@@H](CCSC)C(=O)[O-])C3=O)c[nH]c2c1	ZINC000051330857	560875629	/nfs/dbraw/zinc/87/56/29/560875629.db2.gz	QILMKFOZODAQNJ-FQNPWXFGSA-N	-1	0	422.553	3.584	50	10		HHCARM
COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccc(C)c(C)c4)C3=O)o2)c1	ZINC000000666626	568460645	/nfs/dbraw/zinc/46/06/45/568460645.db2.gz	DERQLWVPWRZIBV-DEDYPNTBSA-N	-1	0	416.433	3.811	50	10		HHCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CCOc3ccc(C)cc3)c3ccccc23)C1=O	ZINC000005867637	568826990	/nfs/dbraw/zinc/82/69/90/568826990.db2.gz	QJHJQITXWLIQFE-XSFVSMFZSA-N	-1	0	417.465	3.510	50	10		HHCARM
Cc1cc(Br)c([O-])c([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1	ZINC000001756437	568829427	/nfs/dbraw/zinc/82/94/27/568829427.db2.gz	NXDQHZDLIIEYSV-NVXWUHKLSA-N	-1	0	401.260	3.633	50	10	biogenic	HHCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000001777796	568834223	/nfs/dbraw/zinc/83/42/23/568834223.db2.gz	QIPQFSMDNVHAIB-MHWRWJLKSA-N	-1	0	407.338	3.950	50	10		HHCARM
COc1cc(OC)c(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc1OC	ZINC000217772915	568911323	/nfs/dbraw/zinc/91/13/23/568911323.db2.gz	BRCKWRIYYMELSK-UHFFFAOYSA-N	-1	0	407.382	3.961	50	10	biogenic	HHCARM
O=C1[N-]C(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1ccc2c(c1)OCO2	ZINC000006974288	569192999	/nfs/dbraw/zinc/19/29/99/569192999.db2.gz	VHJABYDVKVNFNH-POHAHGRESA-N	-1	0	421.261	3.553	50	10		HHCARM
O=S(=O)([N-]c1ccc(O)cc1OC(F)(F)F)c1ccc(C(F)(F)F)nc1	ZINC000170617702	569247874	/nfs/dbraw/zinc/24/78/74/569247874.db2.gz	CKJFVWCUPHQIFY-UHFFFAOYSA-N	-1	0	402.272	3.505	50	10		HHCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)cc1	ZINC000002222443	569313290	/nfs/dbraw/zinc/31/32/90/569313290.db2.gz	VKDXZYLIZQZZDJ-MHWRWJLKSA-N	-1	0	410.426	3.782	50	10		HHCARM
CN(C1=NC(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)[O-])S1)c1ccc(O)cc1	ZINC000002240507	569323615	/nfs/dbraw/zinc/32/36/15/569323615.db2.gz	MMMCLNBTIMILLI-SXGWCWSVSA-N	-1	0	418.858	3.616	50	10		HHCARM
Cc1cc(C)cc(Oc2c(C)oc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)c1	ZINC000019794049	569430041	/nfs/dbraw/zinc/43/00/41/569430041.db2.gz	BCQJKPIVIXFJTO-UHFFFAOYSA-N	-1	0	408.498	3.964	50	10		HHCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SC1=S	ZINC000009296618	571246021	/nfs/dbraw/zinc/24/60/21/571246021.db2.gz	HAMXKLVFKPINFK-AWNIVKPZSA-N	-1	0	424.843	3.794	50	10		HHCARM
C[C@H](C(=O)Nc1cccc(C(=O)[O-])c1)N1C(=O)/C(=C/c2cccs2)SC1=S	ZINC000010434582	571302662	/nfs/dbraw/zinc/30/26/62/571302662.db2.gz	QZAPNTGPYHULRL-AHEVQNHNSA-N	-1	0	418.521	3.675	50	10		HHCARM
COc1cc(OC)c(-c2c3cc(O)c([O-])cc3oc3cc(=O)c(O)cc2-3)cc1OC	ZINC000004894312	960626546	/nfs/dbraw/zinc/62/65/46/960626546.db2.gz	JUNRINYOIHIGJU-UHFFFAOYSA-N	-1	0	410.378	3.707	50	10		HHCARM
COc1cccc(N2C(=O)/C(=C/c3ccc(OC)c4ccccc34)C(=O)[N-]C2=S)c1	ZINC000001197565	132241665	/nfs/dbraw/zinc/24/16/65/132241665.db2.gz	FWMVBCQSJNHFCU-XDHOZWIPSA-N	-1	0	418.474	3.688	50	10		HHCARM
COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3Cl)C2=O)ccc1O	ZINC000002075723	132248789	/nfs/dbraw/zinc/24/87/89/132248789.db2.gz	CKOCMBIKZFNGHT-IZZDOVSWSA-N	-1	0	423.277	3.539	50	10		HHCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OCC)c(Cl)c3)C2=O)cc1	ZINC000002958911	132260534	/nfs/dbraw/zinc/26/05/34/132260534.db2.gz	CQRRDTJOFFCCIT-LFIBNONCSA-N	-1	0	414.845	3.804	50	10		HHCARM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(OC)c(OC)cc2OC)C1=O	ZINC000008927411	132334192	/nfs/dbraw/zinc/33/41/92/132334192.db2.gz	DUZHTKROTFPAMN-GDNBJRDFSA-N	-1	0	410.426	3.782	50	10		HHCARM
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S	ZINC000013690641	558572582	/nfs/dbraw/zinc/57/25/82/558572582.db2.gz	YJZNTHIWVCUTIH-KGZWWPETSA-N	-1	0	407.476	3.657	50	10		HHCARM
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S	ZINC000013721621	558582341	/nfs/dbraw/zinc/58/23/41/558582341.db2.gz	BUUQKCNOTBEJNR-HKBKRHGFSA-N	-1	0	407.476	3.657	50	10		HHCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(O)c1	ZINC000013815392	558596145	/nfs/dbraw/zinc/59/61/45/558596145.db2.gz	PNIBKGXLYSQCNE-JAIQZWGSSA-N	-1	0	419.412	3.810	50	10		HHCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(O)c1	ZINC000013815059	558596217	/nfs/dbraw/zinc/59/62/17/558596217.db2.gz	JFHNXMWYRHNPIJ-NDENLUEZSA-N	-1	0	401.422	3.671	50	10		HHCARM
CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC	ZINC000015822074	558754664	/nfs/dbraw/zinc/75/46/64/558754664.db2.gz	FGDQZTGBGRDDSD-YBEGLDIGSA-N	-1	0	400.862	3.907	50	10		HHCARM
CCOc1c(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OC	ZINC000015822639	558754678	/nfs/dbraw/zinc/75/46/78/558754678.db2.gz	NUXHEQGSXFUNCT-WQLSENKSSA-N	-1	0	418.808	3.553	50	10		HHCARM
CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1C3CCC(CC3)[C@H]1C(=O)[O-])CCC2	ZINC000017083196	558815595	/nfs/dbraw/zinc/81/55/95/558815595.db2.gz	WQMBSOYIDGEVGC-UQZDFYISSA-N	-1	0	405.516	3.878	50	10		HHCARM
COc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c2C)cc1	ZINC000017300004	558826762	/nfs/dbraw/zinc/82/67/62/558826762.db2.gz	GDBYXPBOLOCNIK-KGENOOAVSA-N	-1	0	421.497	3.897	50	10		HHCARM
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1	ZINC000022171444	558863269	/nfs/dbraw/zinc/86/32/69/558863269.db2.gz	NPFCTTQNSVVUBA-UYRXBGFRSA-N	-1	0	407.422	3.661	50	10		HHCARM
Cc1cccc(N2C(=O)/C(=C\N3c4ccc(F)cc4CC[C@H]3C)C(=O)[N-]C2=S)c1	ZINC000098086675	559064992	/nfs/dbraw/zinc/06/49/92/559064992.db2.gz	NXRCLTJSJGUOFU-IIMQCXAKSA-N	-1	0	409.486	3.607	50	10		HHCARM
O=c1c(C=Nc2ccc([N+](=O)[O-])cc2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000100400250	559134811	/nfs/dbraw/zinc/13/48/11/559134811.db2.gz	DAKMILXMWHVWTE-NTEUORMPSA-N	-1	0	421.291	3.764	50	10		HHCARM
CCCC[C@H](CC)COCCCNC=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O	ZINC000102411560	560810803	/nfs/dbraw/zinc/81/08/03/560810803.db2.gz	JZTFAHZEIWARHU-CMAIMYMYSA-N	-1	0	415.534	3.674	50	10		HHCARM
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc3ncccc3c2)SC1=S	ZINC000051330871	560875667	/nfs/dbraw/zinc/87/56/67/560875667.db2.gz	QVVJPHMEWMDWLW-MKRLJBPISA-N	-1	0	404.538	3.642	50	10		HHCARM
CCN1C(=O)[N-]C(=O)/C(=C\c2cn(CCOc3ccccc3C)c3ccccc23)C1=O	ZINC000005867648	568827013	/nfs/dbraw/zinc/82/70/13/568827013.db2.gz	FHNJAICZQPJWLO-XMHGGMMESA-N	-1	0	417.465	3.510	50	10		HHCARM
Cc1cc(Br)c([O-])c([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)c1	ZINC000001756433	569052071	/nfs/dbraw/zinc/05/20/71/569052071.db2.gz	NXDQHZDLIIEYSV-DOTOQJQBSA-N	-1	0	401.260	3.633	50	10	biogenic	HHCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000001830301	569056340	/nfs/dbraw/zinc/05/63/40/569056340.db2.gz	DFBUQCAWVZDUGC-YBFXNURJSA-N	-1	0	407.401	3.693	50	10		HHCARM
O=C1[N-]C(=O)N(C[C@H]2CCCO2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21	ZINC000009319247	571247859	/nfs/dbraw/zinc/24/78/59/571247859.db2.gz	IWPFFZLFKIIMGC-VYVDHXHBSA-N	-1	0	400.434	3.634	50	10		HHCARM