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-])c1ccc(N2C(=O)C[C@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1	ZINC000000705053	132231073	/nfs/dbraw/zinc/23/10/73/132231073.db2.gz	MRBYPBJHVJZLNN-SFHVURJKSA-N	-1	0	413.861	2.492	50	0		HEAARM
COC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)C(OC(C)=O)=S2[O-]	ZINC000004660569	132281194	/nfs/dbraw/zinc/28/11/94/132281194.db2.gz	BFNSVDFANCNQHP-MMTVBGGISA-N	-1	0	401.440	2.325	50	0		HEAARM
O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1	ZINC000004718475	132285733	/nfs/dbraw/zinc/28/57/33/132285733.db2.gz	AWSURFCIBMCVSH-SFHVURJKSA-N	-1	0	413.861	2.492	50	0		HEAARM
CC(=O)c1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)CC2)cc1	ZINC000011178666	132347781	/nfs/dbraw/zinc/34/77/81/132347781.db2.gz	ZVCVFCFMSYZGDW-FQEVSTJZSA-N	-1	0	421.453	2.042	50	0		HEAARM
CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)cc2)C1=O	ZINC000041182043	520512626	/nfs/dbraw/zinc/51/26/26/520512626.db2.gz	FHWBOROLUXOBKH-UHFFFAOYSA-N	-1	0	418.427	2.045	50	0		HEAARM
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)[N-]c1cccnc1	ZINC000020574781	524022211	/nfs/dbraw/zinc/02/22/11/524022211.db2.gz	HNFBZBDMNCVZRR-UHFFFAOYSA-N	-1	0	424.438	2.082	50	0		HEAARM
C[C@](CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)(C(=O)[O-])c1ccccc1	ZINC000032771966	525138117	/nfs/dbraw/zinc/13/81/17/525138117.db2.gz	GFYFHEBCHQAITJ-HXUWFJFHSA-N	-1	0	402.472	2.498	50	0		HEAARM
NC(=O)NCCC[C@@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)C(=O)[O-]	ZINC000032088901	526936284	/nfs/dbraw/zinc/93/62/84/526936284.db2.gz	YGUBFAWPPZARGU-QGZVFWFLSA-N	-1	0	408.458	2.326	50	0		HEAARM
O=C1CNC(=O)N1c1cccc([N-]S(=O)(=O)c2ccccc2Br)c1	ZINC000032598942	527011938	/nfs/dbraw/zinc/01/19/38/527011938.db2.gz	UTRJNHMXZYZRGQ-UHFFFAOYSA-N	-1	0	410.249	2.306	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nn1	ZINC000000644320	557034288	/nfs/dbraw/zinc/03/42/88/557034288.db2.gz	FESCBBRKEAUIIM-UHFFFAOYSA-N	-1	0	420.472	2.087	50	0		HEAARM
Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCC(C(N)=O)CC3)c([O-])n2n1	ZINC000022627575	557113672	/nfs/dbraw/zinc/11/36/72/557113672.db2.gz	DGZMPXFHTWWINY-CQSZACIVSA-N	-1	0	407.446	2.370	50	0		HEAARM
CCC1C(=O)N=C(SCC(=O)Nc2nc3ccc(C(=O)OC)cc3s2)N=C1[O-]	ZINC000002835287	557398503	/nfs/dbraw/zinc/39/85/03/557398503.db2.gz	SRVMMKIWYPLCJE-UHFFFAOYSA-N	-1	0	420.472	2.165	50	0		HEAARM
Cc1nn(C)c(C)c1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000002852697	557405454	/nfs/dbraw/zinc/40/54/54/557405454.db2.gz	YTTUROXNUBRUFO-UHFFFAOYSA-N	-1	0	417.520	2.437	50	0		HEAARM
CSc1nc([O-])c(C(c2ccc(F)cc2)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1	ZINC000008716677	557801854	/nfs/dbraw/zinc/80/18/54/557801854.db2.gz	LMXZZLNEEGSZHB-UHFFFAOYSA-N	-1	0	422.463	2.028	50	0		HEAARM
COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc(Cl)c1OCC(=O)[O-]	ZINC000009356401	557839006	/nfs/dbraw/zinc/83/90/06/557839006.db2.gz	VQPMCGXYTJKISY-UHFFFAOYSA-N	-1	0	422.825	2.466	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3O)cc2)nn1	ZINC000004371743	558472578	/nfs/dbraw/zinc/47/25/78/558472578.db2.gz	CEKUKBDPLSQLJL-UHFFFAOYSA-N	-1	0	400.416	2.244	50	0		HEAARM
CC(C)Cn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1N1CCOCC1	ZINC000012803562	558472737	/nfs/dbraw/zinc/47/27/37/558472737.db2.gz	GONAWRPZSSXRAH-UHFFFAOYSA-N	-1	0	406.537	2.361	50	0		HEAARM
CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c2ccccc2O1	ZINC000013077019	558512433	/nfs/dbraw/zinc/51/24/33/558512433.db2.gz	UPMXPOWTGDRDIO-QGZVFWFLSA-N	-1	0	422.434	2.006	50	0		HEAARM
COc1ccc(NC(=O)[C@H](C)n2cncn2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000024745660	558609486	/nfs/dbraw/zinc/60/94/86/558609486.db2.gz	BGUPUMUVZHVHFM-LBPRGKRZSA-N	-1	0	419.438	2.426	50	0		HEAARM
Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(S(=O)(=O)NC3CC3)ccc2O)c1	ZINC000072293462	558735864	/nfs/dbraw/zinc/73/58/64/558735864.db2.gz	KAOGNAIZCAHLHU-UHFFFAOYSA-N	-1	0	400.453	2.081	50	0		HEAARM
CCn1nnc2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)ccc21	ZINC000016024914	558768793	/nfs/dbraw/zinc/76/87/93/558768793.db2.gz	FCAKQAAFKVOSCB-UHFFFAOYSA-N	-1	0	423.458	2.294	50	0		HEAARM
CSCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002983210	558780168	/nfs/dbraw/zinc/78/01/68/558780168.db2.gz	FCZDJBFXGSPBAZ-MSOLQXFVSA-N	-1	0	400.500	2.350	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)C1	ZINC000017089280	558817919	/nfs/dbraw/zinc/81/79/19/558817919.db2.gz	KALWCNXWNQMLDY-CABCVRRESA-N	-1	0	412.533	2.028	50	0		HEAARM
COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-n2ccc(-c3ccsc3)n2)c1	ZINC000071748189	558908710	/nfs/dbraw/zinc/90/87/10/558908710.db2.gz	LKBQHQZCYBADEG-UHFFFAOYSA-N	-1	0	407.473	2.224	50	0		HEAARM
CCS(=O)(=O)Nc1ccc(N2CCN(c3ccccc3OC)CC2)c(C(=O)[O-])c1	ZINC000033253070	558921237	/nfs/dbraw/zinc/92/12/37/558921237.db2.gz	HUSSWIWBWDQQRD-UHFFFAOYSA-N	-1	0	419.503	2.482	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ncccc2O)CC3)no1	ZINC000077341466	559001758	/nfs/dbraw/zinc/00/17/58/559001758.db2.gz	ZJPIURVIMBJHPO-UHFFFAOYSA-N	-1	0	414.443	2.083	50	0		HEAARM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC(O)CC2)cc1OC	ZINC000023157083	559022072	/nfs/dbraw/zinc/02/20/72/559022072.db2.gz	NCTQIXGQTVJHEG-MRXNPFEDSA-N	-1	0	404.492	2.368	50	0		HEAARM
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(=O)nc2ccccn2c1[O-]	ZINC000205949063	559177963	/nfs/dbraw/zinc/17/79/63/559177963.db2.gz	JUHLNHSUWNUIFC-CYBMUJFWSA-N	-1	0	414.414	2.121	50	0		HEAARM
CCCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(C)c1=O	ZINC000100551385	559225521	/nfs/dbraw/zinc/22/55/21/559225521.db2.gz	FVGHBWBYHITQJE-UHFFFAOYSA-N	-1	0	404.426	2.290	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000005022183	559229394	/nfs/dbraw/zinc/22/93/94/559229394.db2.gz	ONTWLJTVVSVKPA-MJGOQNOKSA-N	-1	0	407.426	2.301	50	0		HEAARM
O=C([O-])CCCCCNC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O	ZINC000061717535	559292687	/nfs/dbraw/zinc/29/26/87/559292687.db2.gz	BUJCXGIAKJQVFN-UHFFFAOYSA-N	-1	0	422.279	2.434	50	0		HEAARM
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100909609	560762561	/nfs/dbraw/zinc/76/25/61/560762561.db2.gz	ASMIFBZETFUJDX-DOTOQJQBSA-N	-1	0	413.817	2.256	50	0		HEAARM
CCc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2	ZINC000101169083	560787675	/nfs/dbraw/zinc/78/76/75/560787675.db2.gz	MRFKEYXVYQGCCO-ROUUACIJSA-N	-1	0	413.384	2.459	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cccc(Cl)c1	ZINC000101387942	560793880	/nfs/dbraw/zinc/79/38/80/560793880.db2.gz	IHZJRGWYGHJROO-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1F	ZINC000101388879	560794018	/nfs/dbraw/zinc/79/40/18/560794018.db2.gz	IOYFDTFIIJHGHW-IRXDYDNUSA-N	-1	0	417.347	2.344	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1	ZINC000101416418	560794586	/nfs/dbraw/zinc/79/45/86/560794586.db2.gz	SXYCKERZUGOHDE-IRXDYDNUSA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1cccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1	ZINC000085808521	560897315	/nfs/dbraw/zinc/89/73/15/560897315.db2.gz	OUQSSHWDZRNAJE-UHFFFAOYSA-N	-1	0	417.447	2.110	50	0		HEAARM
COC(=O)c1cc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(F)cc1F	ZINC000048274873	568435488	/nfs/dbraw/zinc/43/54/88/568435488.db2.gz	LLJOCPRXIRUKQQ-UHFFFAOYSA-N	-1	0	401.343	2.264	50	0		HEAARM
CSCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-]	ZINC000008191091	568493590	/nfs/dbraw/zinc/49/35/90/568493590.db2.gz	RJUUBEKMDWFHLH-HNNXBMFYSA-N	-1	0	414.549	2.106	50	0		HEAARM
COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccc(C)c(C)c3)c1=O)NCC2	ZINC000020410510	568605180	/nfs/dbraw/zinc/60/51/80/568605180.db2.gz	BLJQLNMFTUTWAG-FQEVSTJZSA-N	-1	0	423.469	2.101	50	0	biogenic	HEAARM
CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)C1CCN(c2cnccn2)CC1	ZINC000095463886	568622129	/nfs/dbraw/zinc/62/21/29/568622129.db2.gz	INSYNUWZZJDIKV-UHFFFAOYSA-N	-1	0	402.451	2.050	50	0		HEAARM
COc1cccc2c([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)nc3)c(C)cnc12	ZINC000225398605	568633965	/nfs/dbraw/zinc/63/39/65/568633965.db2.gz	VSIOPLAGRWVUKC-UHFFFAOYSA-N	-1	0	407.473	2.151	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N(CCO)CC(F)F)cc1	ZINC000225430480	568637616	/nfs/dbraw/zinc/63/76/16/568637616.db2.gz	DQBSPEBNYVVHEX-UHFFFAOYSA-N	-1	0	414.430	2.196	50	0		HEAARM
O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCCCN1CCOCC1	ZINC000020643538	568638522	/nfs/dbraw/zinc/63/85/22/568638522.db2.gz	JYDLNONZDFBGDV-UHFFFAOYSA-N	-1	0	418.563	2.458	50	0		HEAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc1	ZINC000020940489	568652558	/nfs/dbraw/zinc/65/25/58/568652558.db2.gz	UWAGCNSXSICNHJ-UHFFFAOYSA-N	-1	0	405.457	2.476	50	0		HEAARM
CCOc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc1	ZINC000021154280	568673202	/nfs/dbraw/zinc/67/32/02/568673202.db2.gz	YTXPNMGUXQCPPJ-UHFFFAOYSA-N	-1	0	421.519	2.314	50	0		HEAARM
O=C([O-])[C@@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1F	ZINC000095989723	568677461	/nfs/dbraw/zinc/67/74/61/568677461.db2.gz	LKIHSMDECQRBOG-KRWDZBQOSA-N	-1	0	421.356	2.265	50	0		HEAARM
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000096115928	568695620	/nfs/dbraw/zinc/69/56/20/568695620.db2.gz	FSSOUCRKPHWKKV-GFCCVEGCSA-N	-1	0	404.806	2.463	50	0	biogenic	HEAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1	ZINC000002634598	568791704	/nfs/dbraw/zinc/79/17/04/568791704.db2.gz	URVQITGLPIRXNO-UHFFFAOYSA-N	-1	0	419.459	2.456	50	0		HEAARM
CCN(CC)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccccc2F)c1	ZINC000005882441	568828132	/nfs/dbraw/zinc/82/81/32/568828132.db2.gz	GKIUXLTUUZCJKF-UHFFFAOYSA-N	-1	0	402.469	2.363	50	0		HEAARM
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCSc3ccccc3)cc2)[n-]1	ZINC000031652633	568837287	/nfs/dbraw/zinc/83/72/87/568837287.db2.gz	XABXUFQXGHYMMO-UHFFFAOYSA-N	-1	0	411.483	2.403	50	0		HEAARM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000003566436	568916420	/nfs/dbraw/zinc/91/64/20/568916420.db2.gz	VGDHRHYSMGDGDO-UHFFFAOYSA-N	-1	0	412.537	2.392	50	0		HEAARM
CN(C)C(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1	ZINC000031776733	568931078	/nfs/dbraw/zinc/93/10/78/568931078.db2.gz	OZQQPALDSJDNAW-UHFFFAOYSA-N	-1	0	416.908	2.246	50	0		HEAARM
CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3c4ccccc4CCN3C(C)=O)c2=O)cc1	ZINC000003984820	568931130	/nfs/dbraw/zinc/93/11/30/568931130.db2.gz	FDPXMPHMRKRXDQ-FQEVSTJZSA-N	-1	0	421.453	2.124	50	0	biogenic	HEAARM
O=C([O-])c1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	ZINC000008394115	568998833	/nfs/dbraw/zinc/99/88/33/568998833.db2.gz	WKDCAYJSYNMSHG-UHFFFAOYSA-N	-1	0	402.472	2.489	50	0		HEAARM
CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@H](C(=O)[O-])C1	ZINC000006198806	569031468	/nfs/dbraw/zinc/03/14/68/569031468.db2.gz	BDWYFOSDRCJQGA-QZTJIDSGSA-N	-1	0	424.494	2.106	50	0		HEAARM
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc4n(n3)CCCO4)cc2)c1C	ZINC000090583686	569041359	/nfs/dbraw/zinc/04/13/59/569041359.db2.gz	ZJXMKIRKGRAUSN-UHFFFAOYSA-N	-1	0	417.447	2.324	50	0		HEAARM
O=C([O-])C[C@@H](CC(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1)c1cccs1	ZINC000090607349	569041986	/nfs/dbraw/zinc/04/19/86/569041986.db2.gz	NXNRRIPKJDFURL-CQSZACIVSA-N	-1	0	414.549	2.017	50	0		HEAARM
Cc1c([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[nH]nc1-c1ccccc1	ZINC000089547775	569070127	/nfs/dbraw/zinc/07/01/27/569070127.db2.gz	UGPSNGHBEPVDLD-UHFFFAOYSA-N	-1	0	420.516	2.436	50	0		HEAARM
CC1(C)Cc2sc3c(c2CO1)n(CC(=O)[O-])c(=O)n(Cc1ccccc1)c3=O	ZINC000006764228	569114268	/nfs/dbraw/zinc/11/42/68/569114268.db2.gz	UHJGZCRUTOKCFC-UHFFFAOYSA-N	-1	0	400.456	2.209	50	0		HEAARM
Cn1cc([C@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036356983	569148616	/nfs/dbraw/zinc/14/86/16/569148616.db2.gz	CJHVNBIKHLFWKR-GOSISDBHSA-N	-1	0	409.446	2.005	50	0		HEAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CCc3ccncc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360398	569151481	/nfs/dbraw/zinc/15/14/81/569151481.db2.gz	SIRKLDMZCVAPDS-NRFANRHFSA-N	-1	0	422.485	2.258	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2onc(C(=O)N3CCOCC3)c2c1	ZINC000065115482	569179407	/nfs/dbraw/zinc/17/94/07/569179407.db2.gz	UBZNWOOGJJZQBM-UHFFFAOYSA-N	-1	0	417.443	2.110	50	0		HEAARM
Cn1c(=O)c2cc(C(=O)c3cc(F)ccc3[O-])cnc2n(Cc2ccccc2)c1=O	ZINC000006935490	569186241	/nfs/dbraw/zinc/18/62/41/569186241.db2.gz	TXEBSJDARFBEIT-UHFFFAOYSA-N	-1	0	405.385	2.219	50	0		HEAARM
CCc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)cc1	ZINC000002144758	569289527	/nfs/dbraw/zinc/28/95/27/569289527.db2.gz	WKDIUKSBTUUMNA-QGZVFWFLSA-N	-1	0	424.409	2.071	50	0	biogenic	HEAARM
Cc1c(C(=O)[O-])sc2[nH]c(SCC(=O)NCCc3ccccc3)nc(=O)c12	ZINC000007738212	569305131	/nfs/dbraw/zinc/30/51/31/569305131.db2.gz	HNFHUEKWRVYJKJ-UHFFFAOYSA-N	-1	0	403.485	2.442	50	0		HEAARM
COc1ccc(CN(C(=O)CCC(=O)[O-])[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000002248467	569324468	/nfs/dbraw/zinc/32/44/68/569324468.db2.gz	XCEPVOTXDQAVTA-GOSISDBHSA-N	-1	0	410.426	2.221	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012878888	569404486	/nfs/dbraw/zinc/40/44/86/569404486.db2.gz	PGKZDBLPSWBQQE-JVPBZIDWSA-N	-1	0	423.469	2.089	50	0	biogenic	HEAARM
COc1ccc(NC(=O)CSc2c(C)nn(-c3nnc(C)c(=O)[n-]3)c2C)cc1	ZINC000008762895	571114407	/nfs/dbraw/zinc/11/44/07/571114407.db2.gz	ZVUBAZPJESPRFS-UHFFFAOYSA-N	-1	0	400.464	2.428	50	0		HEAARM
CSCC[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(C)C)C(=O)[O-]	ZINC000008994698	571208475	/nfs/dbraw/zinc/20/84/75/571208475.db2.gz	RFXLXLCHMHWVPK-BBRMVZONSA-N	-1	0	422.507	2.151	50	0	biogenic	HEAARM
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@]3(C2)C(=O)Nc2ccccc23)cc1OC	ZINC000009184556	571234744	/nfs/dbraw/zinc/23/47/44/571234744.db2.gz	FZPQLWADJCAWEZ-JOCHJYFZSA-N	-1	0	423.425	2.353	50	0		HEAARM
CSCC[C@@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-]	ZINC000071334934	571292955	/nfs/dbraw/zinc/29/29/55/571292955.db2.gz	SQNLDTRSHVMWHY-GOSISDBHSA-N	-1	0	411.483	2.386	50	0		HEAARM
COC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)C(OC(C)=O)=S2[O-]	ZINC000004660570	132281101	/nfs/dbraw/zinc/28/11/01/132281101.db2.gz	BFNSVDFANCNQHP-WTYVLRPYSA-N	-1	0	401.440	2.325	50	0		HEAARM
COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCc3ccc4c(c3)OCO4)C2=O)cc1	ZINC000005624600	132307153	/nfs/dbraw/zinc/30/71/53/132307153.db2.gz	VFAOIZJSZIUZPY-LDADJPATSA-N	-1	0	409.398	2.071	50	0		HEAARM
CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2ccccc2F)CC1	ZINC000032962010	525214383	/nfs/dbraw/zinc/21/43/83/525214383.db2.gz	KWUMGMDIQUFSES-UHFFFAOYSA-N	-1	0	407.467	2.218	50	0		HEAARM
NC(=O)[C@@H]1CCCN1[C@@H](C(=O)[O-])c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21	ZINC000031814868	526968442	/nfs/dbraw/zinc/96/84/42/526968442.db2.gz	RXNVMHGNFOPSAE-RBUKOAKNSA-N	-1	0	406.442	2.496	50	0		HEAARM
NC(=O)c1c(SCC(=O)Nc2cc(F)ccc2F)sc2c1[nH]c(=O)cc2[O-]	ZINC000040286569	527020283	/nfs/dbraw/zinc/02/02/83/527020283.db2.gz	GQVDHTOMEXVPKL-UHFFFAOYSA-N	-1	0	411.411	2.403	50	0		HEAARM
CCC(NCc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O	ZINC000001271418	535227388	/nfs/dbraw/zinc/22/73/88/535227388.db2.gz	MYBXTHPDKLSWDR-KNTRCKAVSA-N	-1	0	423.425	2.461	50	0		HEAARM
CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(C)=O)CC2)cc1	ZINC000022627471	557113482	/nfs/dbraw/zinc/11/34/82/557113482.db2.gz	KNRNCEJFTKOHBO-QGZVFWFLSA-N	-1	0	415.519	2.457	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1	ZINC000001152211	557212084	/nfs/dbraw/zinc/21/20/84/557212084.db2.gz	UIIXGTMPTRBADI-UHFFFAOYSA-N	-1	0	411.892	2.292	50	0		HEAARM
O=C([O-])CCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1	ZINC000002272454	557333283	/nfs/dbraw/zinc/33/32/83/557333283.db2.gz	KIFRZNMGJFNNIM-JLHYYAGUSA-N	-1	0	407.220	2.404	50	0		HEAARM
CCOC(=O)N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000004756949	557594227	/nfs/dbraw/zinc/59/42/27/557594227.db2.gz	GIRZRDKAQJGQKT-UHFFFAOYSA-N	-1	0	417.487	2.402	50	0		HEAARM
C[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000004834118	557604482	/nfs/dbraw/zinc/60/44/82/557604482.db2.gz	WFTPTFUPDGULJN-QSARLWQPSA-N	-1	0	407.220	2.402	50	0		HEAARM
O=C([O-])CCNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1	ZINC000004976819	557619673	/nfs/dbraw/zinc/61/96/73/557619673.db2.gz	ZIFNUUJEQNVFJA-JLHYYAGUSA-N	-1	0	407.220	2.404	50	0		HEAARM
C[C@H](NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CCCO1	ZINC000005041627	557628539	/nfs/dbraw/zinc/62/85/39/557628539.db2.gz	SGIFMUWXDOFORS-SWLSCSKDSA-N	-1	0	407.521	2.131	50	0		HEAARM
CSCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-]	ZINC000005671404	557667964	/nfs/dbraw/zinc/66/79/64/557667964.db2.gz	PIUQWHRUBDAABM-MEDUHNTESA-N	-1	0	405.472	2.372	50	0		HEAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1	ZINC000007361543	557739734	/nfs/dbraw/zinc/73/97/34/557739734.db2.gz	ZAHQGZSFTAIONZ-UHFFFAOYSA-N	-1	0	420.487	2.285	50	0		HEAARM
COC(CNC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)OC	ZINC000002974380	557775790	/nfs/dbraw/zinc/77/57/90/557775790.db2.gz	RDWCNCBLDCURAW-UHFFFAOYSA-N	-1	0	423.491	2.083	50	0		HEAARM
COc1ccc(CCN(C(=O)CCC(=O)[O-])[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000008440524	557789643	/nfs/dbraw/zinc/78/96/43/557789643.db2.gz	SYCHNWPORKXMIS-IBGZPJMESA-N	-1	0	424.453	2.263	50	0		HEAARM
COc1cccc(C(=O)NCCc2nnc([N-]S(=O)(=O)c3ccccc3)s2)c1	ZINC000009262990	557833682	/nfs/dbraw/zinc/83/36/82/557833682.db2.gz	OCGLOGGXOBIOID-UHFFFAOYSA-N	-1	0	418.500	2.320	50	0		HEAARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2	ZINC000009689782	557848487	/nfs/dbraw/zinc/84/84/87/557848487.db2.gz	MVBHZJDVXQVWON-UHFFFAOYSA-N	-1	0	420.443	2.176	50	0		HEAARM
C[C@@H]1Oc2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)NC3CC3)cc2NC1=O	ZINC000012384892	558393978	/nfs/dbraw/zinc/39/39/78/558393978.db2.gz	RDVVOQIFLZULRR-NSHDSACASA-N	-1	0	401.444	2.099	50	0		HEAARM
CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)NC(=O)[C@H](C)O3)OCO2	ZINC000012417117	558402365	/nfs/dbraw/zinc/40/23/65/558402365.db2.gz	BPOXLMQNKZVNII-JTQLQIEISA-N	-1	0	404.400	2.138	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2nc(-c3ccncc3)no2)c1	ZINC000022100999	558463751	/nfs/dbraw/zinc/46/37/51/558463751.db2.gz	KRGGVCPYBCSUJP-UHFFFAOYSA-N	-1	0	402.432	2.202	50	0		HEAARM
COc1ccc(OC)c([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(N)=O)cnn32)c1	ZINC000013607022	558548101	/nfs/dbraw/zinc/54/81/01/558548101.db2.gz	NVHCRORSQNPPCN-HNNXBMFYSA-N	-1	0	424.413	2.080	50	0		HEAARM
CC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000018154084	558832281	/nfs/dbraw/zinc/83/22/81/558832281.db2.gz	UOQDDJOQEXQNPV-MOPGFXCFSA-N	-1	0	405.414	2.130	50	0		HEAARM
COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000018286777	558835501	/nfs/dbraw/zinc/83/55/01/558835501.db2.gz	AWCJJRJNTFVAQV-CVTTXWKISA-N	-1	0	422.437	2.039	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)c1	ZINC000060349332	558860038	/nfs/dbraw/zinc/86/00/38/558860038.db2.gz	IOXKZHNAAZELLX-SFHVURJKSA-N	-1	0	415.471	2.348	50	0		HEAARM
COc1ccc(CNC(=O)Cn2c([O-])nc3c(-c4ccccc4)c[nH]c3c2=O)cc1	ZINC000033037977	558862610	/nfs/dbraw/zinc/86/26/10/558862610.db2.gz	IJHHWQQXEYNSSB-UHFFFAOYSA-N	-1	0	404.426	2.422	50	0		HEAARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1	ZINC000023015409	558863129	/nfs/dbraw/zinc/86/31/29/558863129.db2.gz	CDVATVRQJCUZGA-UHFFFAOYSA-N	-1	0	419.411	2.398	50	0		HEAARM
COC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)cc1	ZINC000010657380	558900886	/nfs/dbraw/zinc/90/08/86/558900886.db2.gz	XEHQDISVAAAJKA-UHFFFAOYSA-N	-1	0	407.400	2.134	50	0		HEAARM
O=C([O-])c1cc(-n2cnc(-c3ccccc3)c2)cc(S(=O)(=O)N2CCOCC2)c1	ZINC000072134622	558928713	/nfs/dbraw/zinc/92/87/13/558928713.db2.gz	ZVITWOKTFAEZAW-UHFFFAOYSA-N	-1	0	413.455	2.258	50	0		HEAARM
COc1cccc(-c2nc3c([nH]c(=O)n3-c3cccc(Cl)c3)c(C(N)=O)n2)c1[O-]	ZINC000096835589	558992834	/nfs/dbraw/zinc/99/28/34/558992834.db2.gz	QAMOBLUWCHZJTF-UHFFFAOYSA-N	-1	0	411.805	2.242	50	0		HEAARM
COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCOCC2)cc(OC)c1OC	ZINC000023158007	559022551	/nfs/dbraw/zinc/02/25/51/559022551.db2.gz	SZPGIAZIAUGXKD-OAHLLOKOSA-N	-1	0	420.491	2.252	50	0		HEAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)n1	ZINC000100080842	559126909	/nfs/dbraw/zinc/12/69/09/559126909.db2.gz	VUXQBAWBTHTARM-HOTGVXAUSA-N	-1	0	400.460	2.265	50	0		HEAARM
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(F)cc4)c=3c2=O)c1	ZINC000004852091	559191351	/nfs/dbraw/zinc/19/13/51/559191351.db2.gz	CTTYRJMWZSMJCA-MOPGFXCFSA-N	-1	0	409.421	2.052	50	0		HEAARM
COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc(C)s1	ZINC000005075826	559241030	/nfs/dbraw/zinc/24/10/30/559241030.db2.gz	HIUDHYVHXPWEEF-UHFFFAOYSA-N	-1	0	402.519	2.406	50	0		HEAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C	ZINC000011858287	559263064	/nfs/dbraw/zinc/26/30/64/559263064.db2.gz	DNDFGBKNMIRCDG-UHFFFAOYSA-N	-1	0	424.500	2.179	50	0		HEAARM
CC(C)C[C@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-]	ZINC000061719837	560536229	/nfs/dbraw/zinc/53/62/29/560536229.db2.gz	ABPWINQCBKTBNR-HNNXBMFYSA-N	-1	0	422.279	2.288	50	0		HEAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1ccccc1OC(F)F	ZINC000005573494	560624185	/nfs/dbraw/zinc/62/41/85/560624185.db2.gz	TVQPVGPWICOKQW-UHFFFAOYSA-N	-1	0	414.386	2.455	50	0		HEAARM
CC(=O)N1CCc2ccccc2[C@@H]1c1c([O-])[nH]c(=O)n(-c2ccccc2Cl)c1=O	ZINC000101000666	560766542	/nfs/dbraw/zinc/76/65/42/560766542.db2.gz	BELVHYSGHZBQGY-GOSISDBHSA-N	-1	0	411.845	2.379	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000018162269	560780637	/nfs/dbraw/zinc/78/06/37/560780637.db2.gz	CMKVAKQBVKWPIB-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000101165881	560787308	/nfs/dbraw/zinc/78/73/08/560787308.db2.gz	XTGYYZWLJJFELT-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccccc1Cl	ZINC000101166572	560787412	/nfs/dbraw/zinc/78/74/12/560787412.db2.gz	UCLTYJMPXLVNGY-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000101169251	560787679	/nfs/dbraw/zinc/78/76/79/560787679.db2.gz	VPPKTOPJFKURNR-JKSUJKDBSA-N	-1	0	403.320	2.036	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000101416207	560794594	/nfs/dbraw/zinc/79/45/94/560794594.db2.gz	XDFABBKPWDMYOO-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccccc3OC)C2)c1[O-]	ZINC000101764896	560799532	/nfs/dbraw/zinc/79/95/32/560799532.db2.gz	WASZZJUVTCZGQK-HNNXBMFYSA-N	-1	0	414.462	2.139	50	0		HEAARM
CCOc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])=NN1	ZINC000101762472	560800684	/nfs/dbraw/zinc/80/06/84/560800684.db2.gz	APSXUXPLHVBPMZ-MRXNPFEDSA-N	-1	0	406.442	2.128	50	0		HEAARM
C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2ccc(C(N)=O)cc2)cc1)C(=O)[O-]	ZINC000013579272	560814709	/nfs/dbraw/zinc/81/47/09/560814709.db2.gz	LZQDDKPXEJIBLZ-BENRWUELSA-N	-1	0	413.455	2.486	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2cccc(OC)c2)cc1	ZINC000096361264	560848623	/nfs/dbraw/zinc/84/86/23/560848623.db2.gz	KVOABFZPIOJLDV-UHFFFAOYSA-N	-1	0	416.459	2.158	50	0		HEAARM
O=C(c1nnc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c[nH]2)o1)N1CCCC1	ZINC000085808648	568442225	/nfs/dbraw/zinc/44/22/25/568442225.db2.gz	MJFKJTCCSDJJPS-UHFFFAOYSA-N	-1	0	405.411	2.241	50	0		HEAARM
Cc1cc(C)nc([N-]c2nc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cs2)n1	ZINC000049032275	568445901	/nfs/dbraw/zinc/44/59/01/568445901.db2.gz	AHPWEKZDCYTTQF-UHFFFAOYSA-N	-1	0	412.475	2.485	50	0		HEAARM
COc1ccc(-c2cn(CC(=O)NCC3(CC(=O)[O-])CCCCC3)c(=O)cn2)cc1	ZINC000218254320	568476831	/nfs/dbraw/zinc/47/68/31/568476831.db2.gz	FBCITVYTATYDBK-UHFFFAOYSA-N	-1	0	413.474	2.460	50	0		HEAARM
NC(=O)NCCC[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)[O-]	ZINC000094992890	568593507	/nfs/dbraw/zinc/59/35/07/568593507.db2.gz	AGWVHKSDNPBEQM-ZDUSSCGKSA-N	-1	0	410.883	2.024	50	0		HEAARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)CNC(=O)c2ccc(C)s2)cc1OC	ZINC000095393700	568604387	/nfs/dbraw/zinc/60/43/87/568604387.db2.gz	DPDLJCOLXIJWPV-CYBMUJFWSA-N	-1	0	406.460	2.136	50	0		HEAARM
Cc1nc(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)nn1-c1ccc(F)cc1	ZINC000095425584	568607952	/nfs/dbraw/zinc/60/79/52/568607952.db2.gz	ARQKFLVHBASNNL-UHFFFAOYSA-N	-1	0	418.406	2.069	50	0		HEAARM
C[C@H]1Oc2ccccc2N(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2F)C1=O	ZINC000095464022	568622290	/nfs/dbraw/zinc/62/22/90/568622290.db2.gz	WKRRIVBBSNHCNY-ADLMAVQZSA-N	-1	0	404.369	2.411	50	0		HEAARM
CCc1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@@]23C(=O)[O-])cc1	ZINC000095469561	568625768	/nfs/dbraw/zinc/62/57/68/568625768.db2.gz	MQIWIRGCLOPCFU-JOCHJYFZSA-N	-1	0	402.410	2.413	50	0		HEAARM
CCC(CC)(CNC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C(=O)[O-]	ZINC000095989894	568677809	/nfs/dbraw/zinc/67/78/09/568677809.db2.gz	ZAUXTSOHWDIJBB-UHFFFAOYSA-N	-1	0	406.888	2.143	50	0		HEAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000096286299	568719262	/nfs/dbraw/zinc/71/92/62/568719262.db2.gz	DWUSSCJDRQGPEF-DLBZAZTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccccc2F)cc1	ZINC000096361266	568739348	/nfs/dbraw/zinc/73/93/48/568739348.db2.gz	OHDJVALDJQCRJY-UHFFFAOYSA-N	-1	0	404.423	2.288	50	0		HEAARM
CC(C)C(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccoc3C(=O)[O-])CC2)cc1	ZINC000097165180	568769607	/nfs/dbraw/zinc/76/96/07/568769607.db2.gz	HRFZIXMTAIEGRQ-UHFFFAOYSA-N	-1	0	420.487	2.323	50	0		HEAARM
CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCN(C)CC3)c([O-])n2n1	ZINC000022577955	568770089	/nfs/dbraw/zinc/77/00/89/568770089.db2.gz	IEIKADSIFMKZSW-QGZVFWFLSA-N	-1	0	417.535	2.413	50	0		HEAARM
CCOC(=O)N1CCN(C(=O)CCCn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000004014255	568933585	/nfs/dbraw/zinc/93/35/85/568933585.db2.gz	MPVGYXJYKOELHH-UHFFFAOYSA-N	-1	0	404.492	2.140	50	0		HEAARM
COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(N2CCOC2=O)cc1	ZINC000084774053	568959101	/nfs/dbraw/zinc/95/91/01/568959101.db2.gz	UWPHRXJQYGANNT-UHFFFAOYSA-N	-1	0	405.432	2.411	50	0		HEAARM
CSCC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-]	ZINC000008191182	568981257	/nfs/dbraw/zinc/98/12/57/568981257.db2.gz	HZNUAEWXEBVGGR-CYBMUJFWSA-N	-1	0	420.940	2.061	50	0		HEAARM
COc1cccc(CNC(=O)CC[C@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)c1	ZINC000008210343	568982750	/nfs/dbraw/zinc/98/27/50/568982750.db2.gz	METHDHWPHKGSJL-QGZVFWFLSA-N	-1	0	408.483	2.460	50	0		HEAARM
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N[C@H](C)C(=O)[O-]	ZINC000008436865	569003072	/nfs/dbraw/zinc/00/30/72/569003072.db2.gz	DDLWYJYOMDGBEN-LLVKDONJSA-N	-1	0	417.892	2.233	50	0		HEAARM
CN(C)S(=O)(=O)c1ccc(OCCSc2nc(CC(=O)[O-])cs2)cc1	ZINC000012848677	569010275	/nfs/dbraw/zinc/01/02/75/569010275.db2.gz	ZGHMGQFYLXEZMV-UHFFFAOYSA-N	-1	0	402.519	2.192	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)c(OC)c1	ZINC000015865687	569016677	/nfs/dbraw/zinc/01/66/77/569016677.db2.gz	RCCSXABBNSBXPJ-UHFFFAOYSA-N	-1	0	411.867	2.348	50	0		HEAARM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000241139438	569054683	/nfs/dbraw/zinc/05/46/83/569054683.db2.gz	JQWDRBZTONGFEP-URBCHYCLSA-N	-1	0	407.410	2.453	50	0		HEAARM
CCCc1cc(=O)oc2c3c(cc(OCC(=O)NCC(=O)[O-])c12)OC(C)(C)CC3	ZINC000006624274	569075529	/nfs/dbraw/zinc/07/55/29/569075529.db2.gz	XYPFTIGVOKQGCB-UHFFFAOYSA-N	-1	0	403.431	2.429	50	0	biogenic	HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1	ZINC000006770129	569116115	/nfs/dbraw/zinc/11/61/15/569116115.db2.gz	UXFKMSQYXUGKLD-MOPGFXCFSA-N	-1	0	407.430	2.244	50	0		HEAARM
O=CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036357489	569148964	/nfs/dbraw/zinc/14/89/64/569148964.db2.gz	DBNWNJUUXRFVCY-OAQYLSRUSA-N	-1	0	421.453	2.288	50	0		HEAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357962	569149413	/nfs/dbraw/zinc/14/94/13/569149413.db2.gz	LQQHNDROHIFTEC-HXUWFJFHSA-N	-1	0	408.458	2.215	50	0		HEAARM
Cc1cc(NC(=O)Cc2c(C(=O)[O-])nnn2-c2ccc(Br)cc2)no1	ZINC000006880733	569167611	/nfs/dbraw/zinc/16/76/11/569167611.db2.gz	SNRWIKNDPLINLW-UHFFFAOYSA-N	-1	0	406.196	2.206	50	0		HEAARM
Cc1c2c(cc(=O)n1CCc1ccc(S(N)(=O)=O)cc1)[n-]n(-c1ccccc1)c2=O	ZINC000036569727	569201040	/nfs/dbraw/zinc/20/10/40/569201040.db2.gz	XNNMBXSTJXENOI-UHFFFAOYSA-N	-1	0	424.482	2.043	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)cc1	ZINC000007453829	569239651	/nfs/dbraw/zinc/23/96/51/569239651.db2.gz	OIQBVFZAJKSWPK-UHFFFAOYSA-N	-1	0	418.471	2.242	50	0		HEAARM
Cc1nc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@H]2C)cn1C	ZINC000089709021	569263057	/nfs/dbraw/zinc/26/30/57/569263057.db2.gz	OOQJTMSOGPVBRS-PRHODGIISA-N	-1	0	419.385	2.200	50	0		HEAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)COc1ccc2ccc(=O)oc2c1	ZINC000002134917	569287608	/nfs/dbraw/zinc/28/76/08/569287608.db2.gz	OJKUBXKLEAFYTL-GOSISDBHSA-N	-1	0	422.393	2.171	50	0	biogenic	HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccnc3)cc2)no1	ZINC000002264434	569325598	/nfs/dbraw/zinc/32/55/98/569325598.db2.gz	VRXSBYWPLMFHDA-UHFFFAOYSA-N	-1	0	417.472	2.306	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2nsnc21	ZINC000002324875	569375408	/nfs/dbraw/zinc/37/54/08/569375408.db2.gz	RCAUBCUODPQDRV-AWEZNQCLSA-N	-1	0	402.457	2.147	50	0		HEAARM
CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O	ZINC000037866277	569403177	/nfs/dbraw/zinc/40/31/77/569403177.db2.gz	ZNJBULBCLWVDRA-DTQAZKPQSA-N	-1	0	411.462	2.049	50	0		HEAARM
O=C1c2cccnc2C(=O)N1CCc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000009153145	571231392	/nfs/dbraw/zinc/23/13/92/571231392.db2.gz	GFPXDTMFQQDKGT-UHFFFAOYSA-N	-1	0	408.439	2.116	50	0		HEAARM
CCCCn1c(=O)c([C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)c([O-])[nH]c1=S	ZINC000009301993	571246079	/nfs/dbraw/zinc/24/60/79/571246079.db2.gz	QBOMMHAXNJNCBX-OAHLLOKOSA-N	-1	0	419.503	2.352	50	0	biogenic	HEAARM
O=C([O-])CCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@]12C(=O)Nc1ccccc12	ZINC000009340967	571249867	/nfs/dbraw/zinc/24/98/67/571249867.db2.gz	WXWUGXAXWHZACW-NRFANRHFSA-N	-1	0	407.382	2.064	50	0		HEAARM
CN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(-c2ccc(F)cc2)c1=O	ZINC000009358985	571251396	/nfs/dbraw/zinc/25/13/96/571251396.db2.gz	RJEFVMYEMLRILS-LJQANCHMSA-N	-1	0	406.417	2.429	50	0	biogenic	HEAARM
O=C([O-])c1cc2c(cc1NC(=O)c1ccc(=O)n(Cc3ccccc3)n1)OCCCO2	ZINC000009495856	571263108	/nfs/dbraw/zinc/26/31/08/571263108.db2.gz	CYJUOEHXWZOAMT-UHFFFAOYSA-N	-1	0	421.409	2.403	50	0		HEAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O	ZINC000071280939	571290687	/nfs/dbraw/zinc/29/06/87/571290687.db2.gz	AWKYZEUOGSMYBL-SFHVURJKSA-N	-1	0	411.845	2.376	50	0		HEAARM
CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-]	ZINC000071328785	571292605	/nfs/dbraw/zinc/29/26/05/571292605.db2.gz	VBUROAZMUCPPDO-APPDUMDISA-N	-1	0	422.279	2.288	50	0		HEAARM
C[C@@H]1Cc2ccccc2N1C(=O)c1cnc([O-])n(Cc2ccc3c(c2)OCO3)c1=O	ZINC000077099870	571311093	/nfs/dbraw/zinc/31/10/93/571311093.db2.gz	SLPTYWJPAWAVHS-CYBMUJFWSA-N	-1	0	405.410	2.317	50	0		HEAARM
CCC(NCc1ccc2c(c1)OCO2)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O	ZINC000020566394	520184083	/nfs/dbraw/zinc/18/40/83/520184083.db2.gz	NZZSMFDCMCDBGI-KNTRCKAVSA-N	-1	0	407.426	2.448	50	0		HEAARM
CN(C)c1ccc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C(N)=O)cc1	ZINC000040287921	522225903	/nfs/dbraw/zinc/22/59/03/522225903.db2.gz	JMWCUIOFMLIKJY-UHFFFAOYSA-N	-1	0	418.500	2.191	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCOCC3)cs2)cc1OC	ZINC000045961687	524686944	/nfs/dbraw/zinc/68/69/44/524686944.db2.gz	LCGZLKMZWDJTKY-UHFFFAOYSA-N	-1	0	412.489	2.039	50	0		HEAARM
C[C@H]1Cc2ccccc2N1C(=O)c1cnc([O-])n(Cc2ccc3c(c2)OCO3)c1=O	ZINC000077099871	524991714	/nfs/dbraw/zinc/99/17/14/524991714.db2.gz	SLPTYWJPAWAVHS-ZDUSSCGKSA-N	-1	0	405.410	2.317	50	0		HEAARM
NC(=O)c1c(SCC(=O)NCc2ccc(Cl)cc2)sc2c1[nH]c(=O)cc2[O-]	ZINC000040287240	527020391	/nfs/dbraw/zinc/02/03/91/527020391.db2.gz	XPOYPUNESNAQLY-UHFFFAOYSA-N	-1	0	423.903	2.456	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-]	ZINC000012889661	535968656	/nfs/dbraw/zinc/96/86/56/535968656.db2.gz	UIRBMPIYOKMRML-YEWWUXTCSA-N	-1	0	418.494	2.185	50	0	biogenic	HEAARM
COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000000917279	557117849	/nfs/dbraw/zinc/11/78/49/557117849.db2.gz	LVBDFSUCRNZALE-UHFFFAOYSA-N	-1	0	420.472	2.087	50	0		HEAARM
O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1	ZINC000001177737	557228680	/nfs/dbraw/zinc/22/86/80/557228680.db2.gz	SNJVTYHHUSBQSH-INIZCTEOSA-N	-1	0	408.410	2.090	50	0		HEAARM
O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)[n-]c1=O)NCCOc1ccccc1	ZINC000034768546	557463365	/nfs/dbraw/zinc/46/33/65/557463365.db2.gz	DVUXZQFQXFJIHD-UHFFFAOYSA-N	-1	0	422.441	2.025	50	0		HEAARM
COC(=O)c1cc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc(C(=O)OC)c1	ZINC000005523182	557659591	/nfs/dbraw/zinc/65/95/91/557659591.db2.gz	KBQMINQOJNDOPK-XOBRGWDASA-N	-1	0	423.487	2.397	50	0		HEAARM
Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ncn(Cc2cccc(F)c2)n1	ZINC000002804062	557763263	/nfs/dbraw/zinc/76/32/63/557763263.db2.gz	FRXQDDLZQXFZNA-UHFFFAOYSA-N	-1	0	400.386	2.475	50	0		HEAARM
CCn1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)Nc1cnn(C)c1C	ZINC000002809602	557767706	/nfs/dbraw/zinc/76/77/06/557767706.db2.gz	DGLIKVRSYUSBIE-OLZOCXBDSA-N	-1	0	402.455	2.027	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(Cl)cc2-n2cnnn2)c1	ZINC000020426981	558362524	/nfs/dbraw/zinc/36/25/24/558362524.db2.gz	VBWDFXPHGZVSSV-UHFFFAOYSA-N	-1	0	407.839	2.067	50	0		HEAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)n1	ZINC000012463196	558419683	/nfs/dbraw/zinc/41/96/83/558419683.db2.gz	VUXQBAWBTHTARM-HZPDHXFCSA-N	-1	0	400.460	2.265	50	0		HEAARM
CN(Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCO2)Cc1n[nH]c(=O)[n-]1	ZINC000012583057	558433155	/nfs/dbraw/zinc/43/31/55/558433155.db2.gz	MPEPYIVENXLPDN-UHFFFAOYSA-N	-1	0	418.457	2.371	50	0		HEAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000022021562	558458375	/nfs/dbraw/zinc/45/83/75/558458375.db2.gz	UIECGJNBLRBCRF-GFCCVEGCSA-N	-1	0	424.500	2.244	50	0		HEAARM
O=C(c1ccccc1O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1	ZINC000012906356	558484117	/nfs/dbraw/zinc/48/41/17/558484117.db2.gz	CYDTZTNCTHJEMN-UHFFFAOYSA-N	-1	0	400.500	2.418	50	0		HEAARM
Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000013032941	558505404	/nfs/dbraw/zinc/50/54/04/558505404.db2.gz	QDWZYSNJRAADEQ-IBGZPJMESA-N	-1	0	404.488	2.045	50	0		HEAARM
Cc1ccc(CNC(=O)CNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000013235216	558527718	/nfs/dbraw/zinc/52/77/18/558527718.db2.gz	BRLADWRKEFROCA-LJQANCHMSA-N	-1	0	408.458	2.088	50	0		HEAARM
CCNc1nnc(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1	ZINC000013405883	558531736	/nfs/dbraw/zinc/53/17/36/558531736.db2.gz	YUCVHKYMKSWHQW-CYBMUJFWSA-N	-1	0	405.505	2.355	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)N[C@@H](C)CO)cc3s2)cc1	ZINC000013691448	558573303	/nfs/dbraw/zinc/57/33/03/558573303.db2.gz	OOFLCGMUKXZLDT-NSHDSACASA-N	-1	0	421.500	2.216	50	0		HEAARM
O=S(=O)([N-]c1cccc2cccnc21)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000026228253	558657556	/nfs/dbraw/zinc/65/75/56/558657556.db2.gz	JGFKZFUISVFUSO-UHFFFAOYSA-N	-1	0	403.485	2.476	50	0		HEAARM
C[C@@H]1CN(C(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C[C@H](C)O1	ZINC000016346734	558787067	/nfs/dbraw/zinc/78/70/67/558787067.db2.gz	LLIVUENUKHJEGG-BETUJISGSA-N	-1	0	407.521	2.083	50	0		HEAARM
O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc21	ZINC000017081843	558813671	/nfs/dbraw/zinc/81/36/71/558813671.db2.gz	OLUQOMNJKBXIFQ-INCPQMAJSA-N	-1	0	400.435	2.135	50	0		HEAARM
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)n1	ZINC000071335214	558896979	/nfs/dbraw/zinc/89/69/79/558896979.db2.gz	JEJZJPSKSGJMMO-FQEVSTJZSA-N	-1	0	411.389	2.000	50	0		HEAARM
COc1ccc(F)cc1C(=O)N1CCC2(C[C@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1	ZINC000072432524	558979437	/nfs/dbraw/zinc/97/94/37/558979437.db2.gz	QRMVGADTWYRSCC-MRXNPFEDSA-N	-1	0	404.438	2.152	50	0		HEAARM
CC(C)Cn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O	ZINC000100483080	559135581	/nfs/dbraw/zinc/13/55/81/559135581.db2.gz	MLWAJOFPYWTUTE-UHFFFAOYSA-N	-1	0	415.471	2.263	50	0	aggregator	HEAARM
COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1C	ZINC000005075830	559241056	/nfs/dbraw/zinc/24/10/56/559241056.db2.gz	VHTSRHXYOOAMHA-UHFFFAOYSA-N	-1	0	414.480	2.483	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100934929	560763274	/nfs/dbraw/zinc/76/32/74/560763274.db2.gz	ONTWLJTVVSVKPA-IEBWSBKVSA-N	-1	0	407.426	2.301	50	0		HEAARM
COc1cccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)c1	ZINC000097940944	560849912	/nfs/dbraw/zinc/84/99/12/560849912.db2.gz	VQKFUNPBFIMVPZ-UHFFFAOYSA-N	-1	0	404.448	2.489	50	0		HEAARM
Cn1ccnc1[C@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1ccc(F)cc1	ZINC000046743763	560853503	/nfs/dbraw/zinc/85/35/03/560853503.db2.gz	BNUHMIGMJCVCCZ-LJQANCHMSA-N	-1	0	421.432	2.271	50	0		HEAARM
COc1ccc(N2C(=O)[C@H](C)NC2=S)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000015570597	560855461	/nfs/dbraw/zinc/85/54/61/560855461.db2.gz	HEDNSXOXZHJJBD-JTQLQIEISA-N	-1	0	409.464	2.245	50	0		HEAARM
O=C(c1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c[nH]2)o1)N1CCCC1	ZINC000085808916	568442434	/nfs/dbraw/zinc/44/24/34/568442434.db2.gz	YGLHWCNYHVWBFC-UHFFFAOYSA-N	-1	0	423.401	2.380	50	0		HEAARM
CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1	ZINC000008130217	568491076	/nfs/dbraw/zinc/49/10/76/568491076.db2.gz	LWWUQTQCTGKGHL-UHFFFAOYSA-N	-1	0	416.499	2.196	50	0		HEAARM
Cc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c(C)c1	ZINC000095349952	568600725	/nfs/dbraw/zinc/60/07/25/568600725.db2.gz	GHPFEYVXUNRXRT-AWEZNQCLSA-N	-1	0	410.517	2.366	50	0		HEAARM
O=C([O-])c1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)s1	ZINC000095349998	568600756	/nfs/dbraw/zinc/60/07/56/568600756.db2.gz	KUFUWOKYDSHTSU-UHFFFAOYSA-N	-1	0	412.464	2.169	50	0		HEAARM
CS(=O)(=O)Nc1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1F	ZINC000095424598	568607776	/nfs/dbraw/zinc/60/77/76/568607776.db2.gz	MUZAWMQQKIQGMU-KRWDZBQOSA-N	-1	0	419.434	2.104	50	0		HEAARM
CCc1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@]23C(=O)[O-])cc1	ZINC000095469560	568625784	/nfs/dbraw/zinc/62/57/84/568625784.db2.gz	MQIWIRGCLOPCFU-QFIPXVFZSA-N	-1	0	402.410	2.413	50	0		HEAARM
C[C@@H](Sc1nccn1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000020979125	568654125	/nfs/dbraw/zinc/65/41/25/568654125.db2.gz	OIBPNFMOFNHRQG-GFCCVEGCSA-N	-1	0	418.504	2.130	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2c(c1)NC(=O)CC2	ZINC000096221163	568704868	/nfs/dbraw/zinc/70/48/68/568704868.db2.gz	AWGLNHXEYZKGJA-IBGZPJMESA-N	-1	0	407.426	2.244	50	0	biogenic	HEAARM
O=C(Nc1ccc2c(c1)OCCO2)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000096361192	568739139	/nfs/dbraw/zinc/73/91/39/568739139.db2.gz	RWNLKYCWSBRYBB-UHFFFAOYSA-N	-1	0	418.406	2.373	50	0		HEAARM
CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578214	568770497	/nfs/dbraw/zinc/77/04/97/568770497.db2.gz	YJWOSGBZJMXQHQ-INIZCTEOSA-N	-1	0	421.954	2.412	50	0		HEAARM
CC(C)C[C@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002949540	568820689	/nfs/dbraw/zinc/82/06/89/568820689.db2.gz	HJCORYKWVGYNRM-MZLJFPOFSA-N	-1	0	414.414	2.395	50	0		HEAARM
Cc1cc2cc(NS(=O)(=O)c3ccc4c(c3)N(CC(=O)[O-])C(=O)CO4)ccc2[nH]1	ZINC000031721839	568929753	/nfs/dbraw/zinc/92/97/53/568929753.db2.gz	HCHRPTCTVKKDCC-UHFFFAOYSA-N	-1	0	415.427	2.087	50	0		HEAARM
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281919	568959079	/nfs/dbraw/zinc/95/90/79/568959079.db2.gz	QAVKCTBJJVXIIA-WBVHZDCISA-N	-1	0	413.817	2.256	50	0		HEAARM
Cc1cccnc1[N-]S(=O)(=O)c1ccc(CN2C(=O)c3cccnc3C2=O)s1	ZINC000015720712	568976329	/nfs/dbraw/zinc/97/63/29/568976329.db2.gz	XPBGIDWAKBSWTI-UHFFFAOYSA-N	-1	0	414.468	2.444	50	0		HEAARM
Cc1nc2nc(SCC(=O)N(C)Cc3ccsc3)nn2c(C)c1CC(=O)[O-]	ZINC000012895493	569020573	/nfs/dbraw/zinc/02/05/73/569020573.db2.gz	JVRHGIQCBOZWLW-UHFFFAOYSA-N	-1	0	405.505	2.180	50	0		HEAARM
COc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)[O-])c3ccc(C)cc3)CC2)cc1	ZINC000012926686	569023853	/nfs/dbraw/zinc/02/38/53/569023853.db2.gz	IMCRPGDESWORBF-IBGZPJMESA-N	-1	0	404.488	2.136	50	0		HEAARM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1	ZINC000016123179	569029137	/nfs/dbraw/zinc/02/91/37/569029137.db2.gz	KZSCHIWQZANBEX-UHFFFAOYSA-N	-1	0	405.295	2.158	50	0		HEAARM
Cc1c(Br)c(C(F)F)nn1CC(=O)N1NC=C[C@]1(O)C(F)(F)F	ZINC000006526789	569063138	/nfs/dbraw/zinc/06/31/38/569063138.db2.gz	DHUPJYXASHNQIN-JTQLQIEISA-N	-1	0	405.121	2.361	50	0		HEAARM
CCCCNC(=O)CN1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589813	569069031	/nfs/dbraw/zinc/06/90/31/569069031.db2.gz	PNRXNZTVOQEPHA-UHFFFAOYSA-N	-1	0	418.538	2.408	50	0		HEAARM
CCCCC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)C)CC2)cc1C(=O)[O-]	ZINC000064589753	569069077	/nfs/dbraw/zinc/06/90/77/569069077.db2.gz	SIWUZFGTBACXPA-UHFFFAOYSA-N	-1	0	404.511	2.160	50	0		HEAARM
COc1ccc(CCNS(=O)(=O)[N-]C(=O)c2c(C)[nH]c3ccccc32)cc1OC	ZINC000006670405	569086758	/nfs/dbraw/zinc/08/67/58/569086758.db2.gz	VJEASFZLPXFYNS-UHFFFAOYSA-N	-1	0	417.487	2.300	50	0		HEAARM
Cc1noc(C)c1CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000006800775	569128853	/nfs/dbraw/zinc/12/88/53/569128853.db2.gz	JGNDNXWVUVAZPC-UHFFFAOYSA-N	-1	0	401.448	2.454	50	0		HEAARM
C[C@H](C(=O)[O-])N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S	ZINC000001748997	569145294	/nfs/dbraw/zinc/14/52/94/569145294.db2.gz	PENCVLQJAJOEOA-XKYLQKELSA-N	-1	0	413.274	2.446	50	0		HEAARM
CC(C)(C)OC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036352554	569147437	/nfs/dbraw/zinc/14/74/37/569147437.db2.gz	XFRJSUWKTPUSQU-GOSISDBHSA-N	-1	0	417.462	2.404	50	0		HEAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c2ccccc21	ZINC000036354091	569147953	/nfs/dbraw/zinc/14/79/53/569147953.db2.gz	HNVVHLUGGRBPLV-OAQYLSRUSA-N	-1	0	408.458	2.064	50	0		HEAARM
Cn1cc([C@@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036356982	569148554	/nfs/dbraw/zinc/14/85/54/569148554.db2.gz	CJHVNBIKHLFWKR-SFHVURJKSA-N	-1	0	409.446	2.005	50	0		HEAARM
COc1ccc(OC)c([C@@H]2c3nc[nH]c3CCN2C(=O)N[C@H](C(=O)[O-])C(C)C)c1	ZINC000036369912	569153741	/nfs/dbraw/zinc/15/37/41/569153741.db2.gz	PFJIICOIIFTXSU-FUHWJXTLSA-N	-1	0	402.451	2.193	50	0	biogenic	HEAARM
COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)n2)c(F)c1	ZINC000238882040	569227470	/nfs/dbraw/zinc/22/74/70/569227470.db2.gz	BXRNJIOTNGNJFI-HDJSIYSDSA-N	-1	0	417.437	2.065	50	0		HEAARM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cccc(-n2cnc(N(C)C)n2)c1	ZINC000170617349	569248052	/nfs/dbraw/zinc/24/80/52/569248052.db2.gz	ROWHOJCOHWODTH-UHFFFAOYSA-N	-1	0	419.463	2.131	50	0		HEAARM
CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-]	ZINC000009883909	569251544	/nfs/dbraw/zinc/25/15/44/569251544.db2.gz	FHUOIRKDJNZVMW-XHDPSFHLSA-N	-1	0	402.900	2.354	50	0		HEAARM
Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(=O)n(-c2ccccc2)n1C	ZINC000007708088	569301539	/nfs/dbraw/zinc/30/15/39/569301539.db2.gz	HRXHJBYQDHOADX-UHFFFAOYSA-N	-1	0	401.444	2.292	50	0		HEAARM
CCOC(=O)CSc1n[nH]c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1	ZINC000013143102	569409994	/nfs/dbraw/zinc/40/99/94/569409994.db2.gz	BAMUJDLVRPUFHS-UHFFFAOYSA-N	-1	0	410.399	2.280	50	0		HEAARM
Cc1c([N-]S(=O)(=O)c2ccc(Br)cc2C)c(-n2cnnc2)nn1C	ZINC000013365654	569412227	/nfs/dbraw/zinc/41/22/27/569412227.db2.gz	FQVLUZZWIVMVAJ-UHFFFAOYSA-N	-1	0	411.285	2.181	50	0		HEAARM
CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2nnc(CCC(=O)OC)s2)cc1	ZINC000079061491	569426253	/nfs/dbraw/zinc/42/62/53/569426253.db2.gz	ZIUYLGMNENQKSL-UHFFFAOYSA-N	-1	0	413.477	2.011	50	0		HEAARM
O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1ccc2c(c1)OCO2	ZINC000008695444	571102514	/nfs/dbraw/zinc/10/25/14/571102514.db2.gz	VBSJTKKSKXYAHT-XMSQKQJNSA-N	-1	0	421.409	2.286	50	0		HEAARM
CCCCCCn1c(=O)[nH]c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1=O	ZINC000008743190	571111071	/nfs/dbraw/zinc/11/10/71/571111071.db2.gz	PKCLLYZKWMXFRS-HUUCEWRRSA-N	-1	0	404.419	2.395	50	0	biogenic	HEAARM
O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCN1C(=O)c2ccccc2C1=O	ZINC000008867288	571129317	/nfs/dbraw/zinc/12/93/17/571129317.db2.gz	HAJIDBIINNOEFT-IBGZPJMESA-N	-1	0	424.453	2.361	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000008972253	571197628	/nfs/dbraw/zinc/19/76/28/571197628.db2.gz	YPHAYFLTWWLPTN-MJEQTWJJSA-N	-1	0	402.451	2.295	50	0	biogenic	HEAARM
CSCC[C@@H](NC(=O)[C@H](CC(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008994055	571208200	/nfs/dbraw/zinc/20/82/00/571208200.db2.gz	DRGFQQPMFAXLQF-CABCVRRESA-N	-1	0	407.492	2.012	50	0	biogenic	HEAARM
CCOC(=O)c1ccc2nc([N-][C@@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1	ZINC000009090070	571220302	/nfs/dbraw/zinc/22/03/02/571220302.db2.gz	OZAYYZSYGMTCBX-HNNXBMFYSA-N	-1	0	419.381	2.453	50	0		HEAARM
CCn1c2ccc(S(N)(=O)=O)cc2nc1SCc1nc(=O)c2sccc2[n-]1	ZINC000009317733	571247666	/nfs/dbraw/zinc/24/76/66/571247666.db2.gz	NXRNHVNSLVDEHV-UHFFFAOYSA-N	-1	0	421.529	2.294	50	0		HEAARM
O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(Br)ccc3OC(=O)[C@@H]12	ZINC000009973255	571293429	/nfs/dbraw/zinc/29/34/29/571293429.db2.gz	YADKFDAQGLEUEA-NQMVMOMDSA-N	-1	0	414.258	2.425	50	0		HEAARM
CCOC(=O)Cc1csc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1	ZINC000030952788	571307940	/nfs/dbraw/zinc/30/79/40/571307940.db2.gz	JQSSQYFZZLDKHL-GTNSWQLSSA-N	-1	0	400.522	2.386	50	0		HEAARM
O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1	ZINC000000821732	132233832	/nfs/dbraw/zinc/23/38/32/132233832.db2.gz	FUYYDZCSDYUXEJ-GOSISDBHSA-N	-1	0	413.861	2.492	50	0		HEAARM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)NCCN1CCN(c2ccccc2F)CC1	ZINC000002461807	132254976	/nfs/dbraw/zinc/25/49/76/132254976.db2.gz	JRQAHKUEDMWKRQ-UHFFFAOYSA-N	-1	0	424.476	2.486	50	0		HEAARM
COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cccc(-c2nnnn2C2CC2)c1	ZINC000032833848	521757526	/nfs/dbraw/zinc/75/75/26/521757526.db2.gz	LGKPQZPTFMNDCO-UHFFFAOYSA-N	-1	0	417.447	2.472	50	0		HEAARM
COc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(Br)s2)cc1	ZINC000042253504	524934445	/nfs/dbraw/zinc/93/44/45/524934445.db2.gz	FAFWCJAIJDFBIC-UHFFFAOYSA-N	-1	0	406.279	2.403	50	0		HEAARM
Cc1ccc(OCC(=O)N2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)cc1	ZINC000072438193	525381134	/nfs/dbraw/zinc/38/11/34/525381134.db2.gz	GJYAKGCEFVYIDN-GOSISDBHSA-N	-1	0	400.475	2.078	50	0		HEAARM
COc1cccc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C(N)=O)c1	ZINC000040286836	526180910	/nfs/dbraw/zinc/18/09/10/526180910.db2.gz	LMGMMEZKKYQSJK-UHFFFAOYSA-N	-1	0	405.457	2.134	50	0		HEAARM
O=C(Nc1cccnc1)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000032904763	527443826	/nfs/dbraw/zinc/44/38/26/527443826.db2.gz	YAAOAMBSOZPCFG-UHFFFAOYSA-N	-1	0	409.427	2.304	50	0		HEAARM
COC(=O)c1cc(OC)c(OC)cc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000000985238	557131866	/nfs/dbraw/zinc/13/18/66/557131866.db2.gz	LWSCKPLKVDNUCG-UHFFFAOYSA-N	-1	0	408.432	2.309	50	0		HEAARM
O=C([O-])c1nccnc1C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1	ZINC000001029185	557146233	/nfs/dbraw/zinc/14/62/33/557146233.db2.gz	WVGJFPUNTSZWLN-UHFFFAOYSA-N	-1	0	403.851	2.400	50	0		HEAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(F)cc2F)cc1	ZINC000002856722	557407302	/nfs/dbraw/zinc/40/73/02/557407302.db2.gz	RCJMOYJTBOHVSN-UHFFFAOYSA-N	-1	0	400.432	2.103	50	0		HEAARM
CCOC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1	ZINC000003220767	557458987	/nfs/dbraw/zinc/45/89/87/557458987.db2.gz	FZBLZLPXFQDIJV-UHFFFAOYSA-N	-1	0	411.263	2.154	50	0		HEAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2ccncc2)C3=O)cc1	ZINC000004455999	557556009	/nfs/dbraw/zinc/55/60/09/557556009.db2.gz	UYKPICCNVBZOQR-UHFFFAOYSA-N	-1	0	408.391	2.413	50	0		HEAARM
C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000004755685	557593764	/nfs/dbraw/zinc/59/37/64/557593764.db2.gz	KOFDFWBHYYWRPW-RSYJBZMQSA-N	-1	0	407.220	2.402	50	0		HEAARM
C[C@@H]1CN(C(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C[C@@H](C)O1	ZINC000005041577	557628659	/nfs/dbraw/zinc/62/86/59/557628659.db2.gz	LLIVUENUKHJEGG-CHWSQXEVSA-N	-1	0	407.521	2.083	50	0		HEAARM
COC(=O)c1cc([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc(C(=O)OC)c1	ZINC000005523158	557659630	/nfs/dbraw/zinc/65/96/30/557659630.db2.gz	KBQMINQOJNDOPK-JLTOFOAXSA-N	-1	0	423.487	2.397	50	0		HEAARM
CCOC(=O)c1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)[O-])C2=O)cc1	ZINC000019880990	558300877	/nfs/dbraw/zinc/30/08/77/558300877.db2.gz	QGHHCXAATQGDQG-CQSZACIVSA-N	-1	0	400.412	2.381	50	0		HEAARM
Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1	ZINC000020428571	558362726	/nfs/dbraw/zinc/36/27/26/558362726.db2.gz	ICBIYLDUBDLUEV-UHFFFAOYSA-N	-1	0	419.850	2.381	50	0		HEAARM
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CC3(C(=O)[O-])CCCC3)cc2)C[C@H](C)O1	ZINC000013251409	558527921	/nfs/dbraw/zinc/52/79/21/558527921.db2.gz	JNRZYHCNMTZCLF-GASCZTMLSA-N	-1	0	424.519	2.458	50	0		HEAARM
O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(Br)ccc3OC(=O)[C@H]12	ZINC000013639093	558555248	/nfs/dbraw/zinc/55/52/48/558555248.db2.gz	YADKFDAQGLEUEA-OYNCUSHFSA-N	-1	0	414.258	2.425	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccccc1F	ZINC000004483986	558603307	/nfs/dbraw/zinc/60/33/07/558603307.db2.gz	IXXYABAZZBPDFU-HZPDHXFCSA-N	-1	0	403.320	2.036	50	0		HEAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(-c2nnnn2C2CC2)c1	ZINC000014205298	558637576	/nfs/dbraw/zinc/63/75/76/558637576.db2.gz	RRJHCKYHXOIRIO-UHFFFAOYSA-N	-1	0	405.461	2.324	50	0		HEAARM
O=S(=O)([N-]c1cccc2c[nH]nc21)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000025463841	558641876	/nfs/dbraw/zinc/64/18/76/558641876.db2.gz	PJJBVJBIXLZLLP-UHFFFAOYSA-N	-1	0	406.489	2.148	50	0		HEAARM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(NC(=O)c2ccco2)cc1	ZINC000015862603	558758680	/nfs/dbraw/zinc/75/86/80/558758680.db2.gz	NCUVLZISHYLLQL-UHFFFAOYSA-N	-1	0	404.404	2.233	50	0		HEAARM
CSc1nc([O-])c(C(c2ccc(C)cc2)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1	ZINC000016225220	558779450	/nfs/dbraw/zinc/77/94/50/558779450.db2.gz	RNYBYGQYCNNBES-UHFFFAOYSA-N	-1	0	418.500	2.197	50	0		HEAARM
COCCCN1C(=O)[N-]C(=O)C(=C2C[C@H](c3ccc(Cl)cc3)N(C(C)=O)N2)C1=O	ZINC000017028573	558812428	/nfs/dbraw/zinc/81/24/28/558812428.db2.gz	JPMAFFJEMGNVKR-VZHUHSAUSA-N	-1	0	420.853	2.347	50	0		HEAARM
COC(=O)c1c(NC(=O)COCC(=O)[O-])sc2c1-c1ccc(OC)cc1CC2	ZINC000017083149	558815585	/nfs/dbraw/zinc/81/55/85/558815585.db2.gz	BYDQPOFZUKGXPN-UHFFFAOYSA-N	-1	0	405.428	2.349	50	0		HEAARM
CC(=O)NCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000004657965	558872200	/nfs/dbraw/zinc/87/22/00/558872200.db2.gz	DVPNPHISMAZXAN-UHFFFAOYSA-N	-1	0	402.520	2.118	50	0		HEAARM
COc1ccc(C)cc1[C@H](C(=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1	ZINC000055271944	558878384	/nfs/dbraw/zinc/87/83/84/558878384.db2.gz	LXQNVNDNEXNHKD-OAQYLSRUSA-N	-1	0	412.442	2.202	50	0		HEAARM
O=C1CCC(=O)N1Cc1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1	ZINC000058014645	558895248	/nfs/dbraw/zinc/89/52/48/558895248.db2.gz	MDZYIZUFHYLVIT-UHFFFAOYSA-N	-1	0	410.455	2.322	50	0		HEAARM
COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)C2CCOCC2)C3)cc1	ZINC000071279040	558896695	/nfs/dbraw/zinc/89/66/95/558896695.db2.gz	XBMWXQIEMFUJEY-UHFFFAOYSA-N	-1	0	413.474	2.144	50	0		HEAARM
COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)n2)c(F)c1	ZINC000071333637	558896861	/nfs/dbraw/zinc/89/68/61/558896861.db2.gz	HNFSRYQBHONPDV-FQEVSTJZSA-N	-1	0	411.389	2.000	50	0		HEAARM
O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000058174230	558908809	/nfs/dbraw/zinc/90/88/09/558908809.db2.gz	IZGBBYKTQSHYDG-CYBMUJFWSA-N	-1	0	422.397	2.205	50	0		HEAARM
O=C(c1n[nH]c2c1CCCC2)N1CCc2c(nc3cc(-c4ccccc4)[n-]n3c2=O)C1	ZINC000097088098	558991201	/nfs/dbraw/zinc/99/12/01/558991201.db2.gz	SLILVPYLWFGELN-UHFFFAOYSA-N	-1	0	414.469	2.490	50	0		HEAARM
COC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000098086506	559065154	/nfs/dbraw/zinc/06/51/54/559065154.db2.gz	TUGCYTRPHADGOM-VZUCSPMQSA-N	-1	0	415.807	2.021	50	0		HEAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1	ZINC000100033119	559128838	/nfs/dbraw/zinc/12/88/38/559128838.db2.gz	LMBICMXQWVASQA-IRXDYDNUSA-N	-1	0	413.821	2.281	50	0		HEAARM
COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100117711	559155706	/nfs/dbraw/zinc/15/57/06/559155706.db2.gz	DSGRLFQRBDLZQS-RDJZCZTQSA-N	-1	0	413.817	2.256	50	0		HEAARM
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000005023829	559229920	/nfs/dbraw/zinc/22/99/20/559229920.db2.gz	OIXQBWWUZLQPJW-WBVHZDCISA-N	-1	0	413.817	2.256	50	0		HEAARM
O=S(=O)([N-]c1cc(-c2ccco2)nn1[C@H]1CCS(=O)(=O)C1)c1ccccc1	ZINC000011795951	559259783	/nfs/dbraw/zinc/25/97/83/559259783.db2.gz	IBZPQLIWLLANJM-ZDUSSCGKSA-N	-1	0	407.473	2.304	50	0		HEAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(C)c1C	ZINC000011858329	559263051	/nfs/dbraw/zinc/26/30/51/559263051.db2.gz	RJIJLFHEENTPNB-UHFFFAOYSA-N	-1	0	424.500	2.179	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccccc1F	ZINC000101165877	560787299	/nfs/dbraw/zinc/78/72/99/560787299.db2.gz	DKVRTVNPDGWUTK-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000101165883	560787302	/nfs/dbraw/zinc/78/73/02/560787302.db2.gz	XTGYYZWLJJFELT-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(C)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2	ZINC000101166626	560787414	/nfs/dbraw/zinc/78/74/14/560787414.db2.gz	WOYULJCIKSXXKA-QZTJIDSGSA-N	-1	0	411.393	2.075	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1	ZINC000101166251	560787417	/nfs/dbraw/zinc/78/74/17/560787417.db2.gz	QXFRYCSISLLAOD-MSOLQXFVSA-N	-1	0	411.393	2.156	50	0		HEAARM
CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1	ZINC000101169283	560787738	/nfs/dbraw/zinc/78/77/38/560787738.db2.gz	NKLGIGMVMOMDQC-ROUUACIJSA-N	-1	0	413.384	2.459	50	0		HEAARM
COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2	ZINC000101416157	560794591	/nfs/dbraw/zinc/79/45/91/560794591.db2.gz	SWZGJZOFSOIGSX-IRXDYDNUSA-N	-1	0	413.821	2.281	50	0		HEAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@H]1c1cccnc1	ZINC000101765069	560799475	/nfs/dbraw/zinc/79/94/75/560799475.db2.gz	MERFCWDAIGFVFZ-INIZCTEOSA-N	-1	0	411.462	2.230	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccc(C)s3)C2)c1[O-]	ZINC000101764926	560799573	/nfs/dbraw/zinc/79/95/73/560799573.db2.gz	ZERGBUUGCGSYBO-ZDUSSCGKSA-N	-1	0	404.492	2.500	50	0		HEAARM
CCOc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1	ZINC000101762282	560800404	/nfs/dbraw/zinc/80/04/04/560800404.db2.gz	UJBKOUSEBQUZEF-KRWDZBQOSA-N	-1	0	406.442	2.128	50	0		HEAARM
O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCc2c(=O)n3[n-]ccc3nc2C1	ZINC000102990189	560836023	/nfs/dbraw/zinc/83/60/23/560836023.db2.gz	FRZIOVLOKDEQGE-UHFFFAOYSA-N	-1	0	407.352	2.189	50	0		HEAARM
Cc1cc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)CCC(=O)[O-])cc3)C2=O)no1	ZINC000113564188	568453182	/nfs/dbraw/zinc/45/31/82/568453182.db2.gz	HZUSOIMKRWTVEW-CYBMUJFWSA-N	-1	0	403.416	2.211	50	0		HEAARM
Cc1ccc(N2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c(C)c1	ZINC000220572029	568506941	/nfs/dbraw/zinc/50/69/41/568506941.db2.gz	QYCIRPSYIWZQIX-QFIPXVFZSA-N	-1	0	401.507	2.246	50	0		HEAARM
CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)[O-])cc1	ZINC000033007394	568510324	/nfs/dbraw/zinc/51/03/24/568510324.db2.gz	HMVGAZMCUHWZKL-UHFFFAOYSA-N	-1	0	406.460	2.421	50	0		HEAARM
C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2F)C1=O	ZINC000095464021	568622336	/nfs/dbraw/zinc/62/23/36/568622336.db2.gz	WKRRIVBBSNHCNY-VOJFVSQTSA-N	-1	0	404.369	2.411	50	0		HEAARM
COC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2)ccc1I	ZINC000095466395	568624364	/nfs/dbraw/zinc/62/43/64/568624364.db2.gz	FFKPXFVDWNEMHZ-UHFFFAOYSA-N	-1	0	418.212	2.274	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1	ZINC000095481487	568633723	/nfs/dbraw/zinc/63/37/23/568633723.db2.gz	BWHGNSYALJOVLF-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(Nc1ccc(F)cc1)c1nc2c(nnn2Cc2ccc3c(c2)OCCO3)c(=O)[n-]1	ZINC000020807541	568644055	/nfs/dbraw/zinc/64/40/55/568644055.db2.gz	AJVAOYMQWZZPEL-UHFFFAOYSA-N	-1	0	422.376	2.138	50	0		HEAARM
C[C@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000095955761	568669248	/nfs/dbraw/zinc/66/92/48/568669248.db2.gz	XHGNVPLRQMVULN-GFCCVEGCSA-N	-1	0	402.900	2.498	50	0		HEAARM
CC(C)Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC000226847855	568698419	/nfs/dbraw/zinc/69/84/19/568698419.db2.gz	NOZBLDRCIXGNFA-QGZVFWFLSA-N	-1	0	410.478	2.173	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000096286304	568719258	/nfs/dbraw/zinc/71/92/58/568719258.db2.gz	IJLOHBORACZXQN-DLBZAZTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000000942837	568753704	/nfs/dbraw/zinc/75/37/04/568753704.db2.gz	HJDRIMRDLVGUBH-UHFFFAOYSA-N	-1	0	414.443	2.304	50	0		HEAARM
O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000003209307	568861812	/nfs/dbraw/zinc/86/18/12/568861812.db2.gz	GSJWPTHDJLLGTO-UHFFFAOYSA-N	-1	0	402.407	2.434	50	0		HEAARM
COc1ccc2c(cc(C(=O)N[C@H](C(=O)N[C@H](C(=O)[O-])C(C)C)C(C)C)n2C)c1	ZINC000004000385	568932222	/nfs/dbraw/zinc/93/22/22/568932222.db2.gz	CYXOOPGUIBKWAZ-ROUUACIJSA-N	-1	0	403.479	2.167	50	0	biogenic	HEAARM
CC(C)[C@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-]	ZINC000004090555	568941992	/nfs/dbraw/zinc/94/19/92/568941992.db2.gz	QKEGZGRWAZVUOL-HKUYNNGSSA-N	-1	0	415.490	2.161	50	0	biogenic	HEAARM
COc1cccc([C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)c2nccn2C)c1	ZINC000012785037	568959485	/nfs/dbraw/zinc/95/94/85/568959485.db2.gz	OSOXZLYUKQLTNH-OAHLLOKOSA-N	-1	0	407.473	2.256	50	0		HEAARM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21	ZINC000015973889	569025164	/nfs/dbraw/zinc/02/51/64/569025164.db2.gz	HDACQVRGBOVJII-XZEJUNMKSA-N	-1	0	416.518	2.383	50	0		HEAARM
CC(C)CC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)C)CC2)cc1C(=O)[O-]	ZINC000064589808	569069046	/nfs/dbraw/zinc/06/90/46/569069046.db2.gz	WWHISMVKNKGIOP-UHFFFAOYSA-N	-1	0	404.511	2.016	50	0		HEAARM
CCN(CC)C(=O)CN1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589992	569069112	/nfs/dbraw/zinc/06/91/12/569069112.db2.gz	LKZWCKGCYIPUPD-UHFFFAOYSA-N	-1	0	418.538	2.360	50	0		HEAARM
CC(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1C(=O)[O-]	ZINC000064590015	569069148	/nfs/dbraw/zinc/06/91/48/569069148.db2.gz	JCAZMYRVGFLHEC-UHFFFAOYSA-N	-1	0	410.474	2.412	50	0		HEAARM
CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000006624059	569075434	/nfs/dbraw/zinc/07/54/34/569075434.db2.gz	DPLKMBRSWBOWJM-DOTOQJQBSA-N	-1	0	413.478	2.056	50	0	biogenic	HEAARM
CC(C)[C@@H](NC(=O)CCCCCNC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-]	ZINC000006624179	569075501	/nfs/dbraw/zinc/07/55/01/569075501.db2.gz	ZXYBFPKQCVGTGC-GOSISDBHSA-N	-1	0	415.494	2.352	50	0	biogenic	HEAARM
CC[C@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000006624253	569075510	/nfs/dbraw/zinc/07/55/10/569075510.db2.gz	BSXPESPJBOPAOJ-JQFCIGGWSA-N	-1	0	415.494	2.206	50	0	biogenic	HEAARM
O=CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036365097	569152172	/nfs/dbraw/zinc/15/21/72/569152172.db2.gz	UZLSUEPIASZWJX-OAQYLSRUSA-N	-1	0	421.453	2.288	50	0		HEAARM
COc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1NC(C)=O	ZINC000007325542	569233695	/nfs/dbraw/zinc/23/36/95/569233695.db2.gz	VRMXOHMZILHVTA-UHFFFAOYSA-N	-1	0	403.460	2.347	50	0		HEAARM
CN(Cc1ccc(Br)s1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O	ZINC000007327809	569233716	/nfs/dbraw/zinc/23/37/16/569233716.db2.gz	JCGANVHYVVDWND-UHFFFAOYSA-N	-1	0	408.277	2.172	50	0		HEAARM
CCOc1cc(C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)ccc1OC	ZINC000065566187	569234376	/nfs/dbraw/zinc/23/43/76/569234376.db2.gz	QVPUDJPRKFIHHE-UHFFFAOYSA-N	-1	0	415.265	2.370	50	0		HEAARM
COCn1nc(C)c(S(=O)(=O)[N-]c2cc(C(C)C)nn2-c2ncccn2)c1C	ZINC000170609260	569244899	/nfs/dbraw/zinc/24/48/99/569244899.db2.gz	WDTLMAZYXPNDKH-UHFFFAOYSA-N	-1	0	405.484	2.004	50	0		HEAARM
O=C(CC[C@@H]1Cc2ccccc2NC1=O)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000170621928	569248506	/nfs/dbraw/zinc/24/85/06/569248506.db2.gz	DOPNTXZXSNOHQP-QGZVFWFLSA-N	-1	0	413.499	2.391	50	0		HEAARM
O=C([O-])CCCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000013737262	569257548	/nfs/dbraw/zinc/25/75/48/569257548.db2.gz	MUPLJVRIGJQOIH-UHFFFAOYSA-N	-1	0	409.291	2.081	50	0		HEAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1	ZINC000007728408	569303698	/nfs/dbraw/zinc/30/36/98/569303698.db2.gz	JSKZERHGZKYZOX-MRXNPFEDSA-N	-1	0	417.487	2.355	50	0		HEAARM
O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCOC[C@@H]32)C(=O)N1c1ccc2c(c1)OCO2	ZINC000008695445	571102629	/nfs/dbraw/zinc/10/26/29/571102629.db2.gz	VBSJTKKSKXYAHT-GCJKJVERSA-N	-1	0	421.409	2.286	50	0		HEAARM
COc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](C)C(=O)[O-])n2C)c1	ZINC000008790230	571119795	/nfs/dbraw/zinc/11/97/95/571119795.db2.gz	KDCUBXPGNPTILS-KSSFIOAISA-N	-1	0	423.469	2.117	50	0	biogenic	HEAARM
CS(=O)(=O)[N-]c1ccsc1C(=O)N1CCC(C(=O)NCc2ccccc2)CC1	ZINC000040135209	571188378	/nfs/dbraw/zinc/18/83/78/571188378.db2.gz	TYIJSYHFXZELMM-UHFFFAOYSA-N	-1	0	421.544	2.288	50	0		HEAARM
CCOc1ccc(C(=O)[N-]S(=O)(=O)c2cncc(Br)c2)cc1OC	ZINC000069527889	571228722	/nfs/dbraw/zinc/22/87/22/571228722.db2.gz	LXDIRANUEAMBCQ-UHFFFAOYSA-N	-1	0	415.265	2.370	50	0		HEAARM
O=C(Cn1nnc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000009157169	571231893	/nfs/dbraw/zinc/23/18/93/571231893.db2.gz	YKODDDSXKIDWGQ-UHFFFAOYSA-N	-1	0	414.472	2.327	50	0		HEAARM
COc1ccccc1-n1c(=O)[nH]c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2C)c1=O	ZINC000009332633	571248742	/nfs/dbraw/zinc/24/87/42/571248742.db2.gz	OUQZQSNNIGHABI-FQEVSTJZSA-N	-1	0	418.453	2.299	50	0	biogenic	HEAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000009355980	571251121	/nfs/dbraw/zinc/25/11/21/571251121.db2.gz	ANZHLYQGTMJWAP-UHFFFAOYSA-N	-1	0	423.516	2.095	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)cc1	ZINC000009835870	571287826	/nfs/dbraw/zinc/28/78/26/571287826.db2.gz	LNARJVUSSGFAFN-MOPGFXCFSA-N	-1	0	423.429	2.026	50	0		HEAARM
CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3cccc(C(=O)[O-])c3)cc2)C1=O	ZINC000041182041	520512163	/nfs/dbraw/zinc/51/21/63/520512163.db2.gz	SLGWOUWMIOYBAN-UHFFFAOYSA-N	-1	0	402.428	2.340	50	0		HEAARM
Cc1nc(-c2cccc(Cl)c2Cl)sc1C(=O)NCC(=O)NCC(=O)[O-]	ZINC000040283662	526583835	/nfs/dbraw/zinc/58/38/35/526583835.db2.gz	HBNIFRNAFMUBRB-UHFFFAOYSA-N	-1	0	402.259	2.356	50	0		HEAARM
COc1ccc(CCNS(=O)(=O)c2cc(/C=C/C(=O)[O-])ccc2OC)cc1OC	ZINC000001183893	557232569	/nfs/dbraw/zinc/23/25/69/557232569.db2.gz	SWNGSRZOYHUZLY-RMKNXTFCSA-N	-1	0	421.471	2.331	50	0		HEAARM
O=C([O-])CN1C(=O)[C@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21	ZINC000002068308	557306451	/nfs/dbraw/zinc/30/64/51/557306451.db2.gz	KYRBALUEXUYLGH-RXCRORICSA-N	-1	0	412.239	2.470	50	0		HEAARM
Cc1ccccc1N1C(=O)C[C@@H](N(CCc2ccccc2)C(=O)C=CC(=O)[O-])C1=O	ZINC000034736596	557446773	/nfs/dbraw/zinc/44/67/73/557446773.db2.gz	DZXISOKREVUKBD-YAINUAMHSA-N	-1	0	406.438	2.339	50	0		HEAARM
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000003342473	557478125	/nfs/dbraw/zinc/47/81/25/557478125.db2.gz	MRKCLHFFMFMRNU-UHFFFAOYSA-N	-1	0	413.249	2.064	50	0		HEAARM
O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1	ZINC000006171750	557692640	/nfs/dbraw/zinc/69/26/40/557692640.db2.gz	HVKXSQRQLRKEGS-UHFFFAOYSA-N	-1	0	424.862	2.311	50	0		HEAARM
CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c(=O)c2cc3c(cc21)OCO3	ZINC000006645562	557711850	/nfs/dbraw/zinc/71/18/50/557711850.db2.gz	GMUVKSIPHPNWJE-INIZCTEOSA-N	-1	0	408.410	2.176	50	0	biogenic	HEAARM
COc1ccc(C(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)cc1	ZINC000002712576	557742293	/nfs/dbraw/zinc/74/22/93/557742293.db2.gz	RIHNNKMFHFBGFV-UHFFFAOYSA-N	-1	0	400.416	2.181	50	0		HEAARM
Cc1c(Br)c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCC4)nn1C	ZINC000002774974	557760643	/nfs/dbraw/zinc/76/06/43/557760643.db2.gz	PLIGIYRHJHVFKS-UHFFFAOYSA-N	-1	0	422.308	2.443	50	0		HEAARM
CCOC(=O)c1c2c(sc1NC(=O)CSc1nc(=O)c(C)n[n-]1)CCCC2	ZINC000012729953	558457226	/nfs/dbraw/zinc/45/72/26/558457226.db2.gz	PJQWEJMGPXYCRG-UHFFFAOYSA-N	-1	0	408.505	2.321	50	0		HEAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)N1CCc2ccccc2C1	ZINC000013235794	558527724	/nfs/dbraw/zinc/52/77/24/558527724.db2.gz	MSLKESFZVMNMLL-HXUWFJFHSA-N	-1	0	420.469	2.048	50	0		HEAARM
CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[N-]OCc1ccccc1	ZINC000023040128	558531186	/nfs/dbraw/zinc/53/11/86/558531186.db2.gz	DCGGXPWFBIDCKX-INIZCTEOSA-N	-1	0	420.516	2.242	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2cccc(OC)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000013659099	558559296	/nfs/dbraw/zinc/55/92/96/558559296.db2.gz	WTZGRCIZQMWTLS-HKUYNNGSSA-N	-1	0	423.425	2.001	50	0		HEAARM
C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cncc(Br)c2)C1=O	ZINC000023946676	558582207	/nfs/dbraw/zinc/58/22/07/558582207.db2.gz	QVYWSQABAQJHTO-SFHVURJKSA-N	-1	0	417.263	2.432	50	0		HEAARM
COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc2c(c1)OCO2	ZINC000004554641	558722646	/nfs/dbraw/zinc/72/26/46/558722646.db2.gz	GMVHVIPCXLCLQP-SJKOYZFVSA-N	-1	0	403.412	2.431	50	0		HEAARM
C[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2ccco2)C1	ZINC000017087318	558816220	/nfs/dbraw/zinc/81/62/20/558816220.db2.gz	SYPSIPRSPXNOHM-LLVKDONJSA-N	-1	0	406.460	2.436	50	0		HEAARM
COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-n2ccc(-c3cccs3)n2)c1	ZINC000071759721	558910040	/nfs/dbraw/zinc/91/00/40/558910040.db2.gz	NCRYUGXCYZEUIV-UHFFFAOYSA-N	-1	0	407.473	2.224	50	0		HEAARM
COc1ccc(C(=O)N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c(C)c1	ZINC000072419813	558978364	/nfs/dbraw/zinc/97/83/64/558978364.db2.gz	CEBMEZXLEKQKJC-SFHVURJKSA-N	-1	0	400.475	2.322	50	0		HEAARM
COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)c2[nH]cnc2C)C3)cc1	ZINC000067881322	558994352	/nfs/dbraw/zinc/99/43/52/558994352.db2.gz	UGFOVNRKWRSRTM-UHFFFAOYSA-N	-1	0	409.446	2.063	50	0		HEAARM
O=c1c2c(nc3cc(-c4ccccc4)[n-]n31)CN(S(=O)(=O)c1cccs1)CC2	ZINC000097122948	558995755	/nfs/dbraw/zinc/99/57/55/558995755.db2.gz	YJMROQSLZGNRHT-UHFFFAOYSA-N	-1	0	412.496	2.498	50	0		HEAARM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(C(N)=O)cc1	ZINC000033279658	559043433	/nfs/dbraw/zinc/04/34/33/559043433.db2.gz	QOIJUYWGDATQAN-UHFFFAOYSA-N	-1	0	413.459	2.179	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000100033175	559128920	/nfs/dbraw/zinc/12/89/20/559128920.db2.gz	RFQJJVFEDIUGBY-RBUKOAKNSA-N	-1	0	407.430	2.326	50	0		HEAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C)c(C)c1	ZINC000011858327	559263152	/nfs/dbraw/zinc/26/31/52/559263152.db2.gz	MIABGFLTXCIPQB-UHFFFAOYSA-N	-1	0	424.500	2.179	50	0		HEAARM
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)C(C)C)cc1	ZINC000248114325	559263861	/nfs/dbraw/zinc/26/38/61/559263861.db2.gz	ZITLVGFYPDXJQG-BQFCYCMXSA-N	-1	0	410.536	2.305	50	0	biogenic	HEAARM
Cn1c2ccccc2nc1[C@@H](Cc1ccccc1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC000252492528	559277702	/nfs/dbraw/zinc/27/77/02/559277702.db2.gz	MOMXKDDPWRDNCT-QGZVFWFLSA-N	-1	0	418.457	2.202	50	0		HEAARM
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1	ZINC000005573205	560624083	/nfs/dbraw/zinc/62/40/83/560624083.db2.gz	WWXIXCCJJQOMBG-GFCCVEGCSA-N	-1	0	419.459	2.201	50	0		HEAARM
COc1cc2c(c3oc(=O)c(CC(=O)NCCC(=O)[O-])c(C)c13)CCC(C)(C)O2	ZINC000008765450	560638435	/nfs/dbraw/zinc/63/84/35/560638435.db2.gz	PRIZDANQCQOLKP-UHFFFAOYSA-N	-1	0	403.431	2.347	50	0	biogenic	HEAARM
O=S(=O)([N-]c1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc2c(c1)CCO2	ZINC000206847886	560749361	/nfs/dbraw/zinc/74/93/61/560749361.db2.gz	FSEDVNPCEWBHTM-MRXNPFEDSA-N	-1	0	413.455	2.459	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1	ZINC000101166255	560787437	/nfs/dbraw/zinc/78/74/37/560787437.db2.gz	QXFRYCSISLLAOD-ZWKOTPCHSA-N	-1	0	411.393	2.156	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccccc3OCC)C2)c1[O-]	ZINC000101456861	560795718	/nfs/dbraw/zinc/79/57/18/560795718.db2.gz	RXEGBNQLSVXNLO-MRXNPFEDSA-N	-1	0	414.462	2.139	50	0		HEAARM
CCOC(=O)N1CCN(C(=O)CCCn2c(=O)c3sccc3[n-]c2=S)CC1	ZINC000101611423	560797373	/nfs/dbraw/zinc/79/73/73/560797373.db2.gz	CRKJDLLXWXMZRF-UHFFFAOYSA-N	-1	0	410.521	2.201	50	0		HEAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(C3CCCCC3)c2[O-])C[C@@H]1c1cccnc1	ZINC000101765072	560799487	/nfs/dbraw/zinc/79/94/87/560799487.db2.gz	MERFCWDAIGFVFZ-MRXNPFEDSA-N	-1	0	411.462	2.230	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccccc3OC)C2)c1[O-]	ZINC000101764901	560799539	/nfs/dbraw/zinc/79/95/39/560799539.db2.gz	WASZZJUVTCZGQK-OAHLLOKOSA-N	-1	0	414.462	2.139	50	0		HEAARM
COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc1OC	ZINC000101762078	560800434	/nfs/dbraw/zinc/80/04/34/560800434.db2.gz	CLFPNYJIUJNTJW-CQSZACIVSA-N	-1	0	414.462	2.203	50	0		HEAARM
Cc1ccccc1N1C(=O)C[C@H](N(CCc2ccccc2)C(=O)C=CC(=O)[O-])C1=O	ZINC000102042527	560805897	/nfs/dbraw/zinc/80/58/97/560805897.db2.gz	DZXISOKREVUKBD-JZHDPFOFSA-N	-1	0	406.438	2.339	50	0		HEAARM
COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cc(OC)cc(OC)c4)c(=O)c2=3)c1	ZINC000101260869	560851497	/nfs/dbraw/zinc/85/14/97/560851497.db2.gz	MNSZSQFUAPDRFK-QZTJIDSGSA-N	-1	0	412.402	2.219	50	0		HEAARM
CCC(Nc1ccnn1C1CCCCC1)=C1C(=O)NC(=S)N(CCOC)C1=O	ZINC000105146357	560861803	/nfs/dbraw/zinc/86/18/03/560861803.db2.gz	JZWQBMKAWHCJEM-JQIJEIRASA-N	-1	0	405.524	2.354	50	0		HEAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](CCSC)C(=O)[O-])c(=O)oc2c1OC	ZINC000012296968	568462502	/nfs/dbraw/zinc/46/25/02/568462502.db2.gz	VENPLWBPLDPMCA-AWEZNQCLSA-N	-1	0	423.487	2.374	50	0	biogenic	HEAARM
O=S(=O)([N-]c1ncc(CN2CCC(c3ncon3)CC2)cn1)c1ccccc1	ZINC000216060834	568463149	/nfs/dbraw/zinc/46/31/49/568463149.db2.gz	AXAPJHVLGHIKSN-UHFFFAOYSA-N	-1	0	400.464	2.040	50	0		HEAARM
Cc1cccc(N2CCC(NC(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1	ZINC000222330818	568514814	/nfs/dbraw/zinc/51/48/14/568514814.db2.gz	OKEKQWNVWLIDJV-QFIPXVFZSA-N	-1	0	401.507	2.374	50	0		HEAARM
Cc1cccc(C[C@@H](CNC(=O)c2nn(-c3cccc(F)c3)ccc2=O)C(=O)[O-])c1	ZINC000095425407	568607936	/nfs/dbraw/zinc/60/79/36/568607936.db2.gz	HQKADSRDMZHBKR-INIZCTEOSA-N	-1	0	409.417	2.353	50	0		HEAARM
CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnn2CC(C)C)c(OC)c1	ZINC000095445267	568611737	/nfs/dbraw/zinc/61/17/37/568611737.db2.gz	RDUYWTOGFJOPMI-UHFFFAOYSA-N	-1	0	416.525	2.110	50	0		HEAARM
CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)nn2C)cc1F	ZINC000095448001	568612431	/nfs/dbraw/zinc/61/24/31/568612431.db2.gz	WQCMQMMWZHULAU-UHFFFAOYSA-N	-1	0	419.504	2.030	50	0		HEAARM
CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1cccc(Br)c1F	ZINC000225399964	568634327	/nfs/dbraw/zinc/63/43/27/568634327.db2.gz	FWYSQMRVFGCGHA-UHFFFAOYSA-N	-1	0	406.233	2.299	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)[C@@H](C)CC)C(=O)[O-]	ZINC000020758713	568641734	/nfs/dbraw/zinc/64/17/34/568641734.db2.gz	YIUVWIYYICLYRK-GGNLRSJOSA-N	-1	0	418.494	2.185	50	0	biogenic	HEAARM
COc1ccc(S(=O)(=O)[N-]c2cc3c(cc2OC)n(C)c(=O)n3C)cc1Cl	ZINC000020853950	568645269	/nfs/dbraw/zinc/64/52/69/568645269.db2.gz	KCFDOCNNTUSKNL-UHFFFAOYSA-N	-1	0	411.867	2.348	50	0		HEAARM
COCc1nnc(NC(=O)CCC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1	ZINC000096343656	568737107	/nfs/dbraw/zinc/73/71/07/568737107.db2.gz	VBQLWJIJANOBAP-UHFFFAOYSA-N	-1	0	413.481	2.320	50	0		HEAARM
Cc1nc2sc([C@H](c3ccccc3Cl)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022468522	568768472	/nfs/dbraw/zinc/76/84/72/568768472.db2.gz	FEZDDFWGSVBRGL-HNNXBMFYSA-N	-1	0	407.927	2.158	50	0		HEAARM
Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022468516	568768480	/nfs/dbraw/zinc/76/84/80/568768480.db2.gz	FEZDDFWGSVBRGL-OAHLLOKOSA-N	-1	0	407.927	2.158	50	0		HEAARM
CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578257	568770386	/nfs/dbraw/zinc/77/03/86/568770386.db2.gz	FSOLIEYLQCQZTP-QGZVFWFLSA-N	-1	0	401.536	2.067	50	0		HEAARM
C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)C[C@H](C)O1	ZINC000227003664	568826924	/nfs/dbraw/zinc/82/69/24/568826924.db2.gz	ULDGZRYIPQYXLY-WDMOLILDSA-N	-1	0	408.501	2.144	50	0		HEAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1	ZINC000230156757	568852980	/nfs/dbraw/zinc/85/29/80/568852980.db2.gz	OENKZWQKYICDPR-PGRDOPGGSA-N	-1	0	423.494	2.443	50	0		HEAARM
Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](CC[S@](C)=O)C(=O)[O-])c(C)c3cc12	ZINC000004081313	568939046	/nfs/dbraw/zinc/93/90/46/568939046.db2.gz	VRINVXPZWWHUEC-PEGYKEAPSA-N	-1	0	419.455	2.037	50	0	biogenic	HEAARM
COc1ccc(N2C(=O)[C@@H](C)NC2=S)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000015570598	568950729	/nfs/dbraw/zinc/95/07/29/568950729.db2.gz	HEDNSXOXZHJJBD-SNVBAGLBSA-N	-1	0	409.464	2.245	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)[C@@H](C(=O)[O-])C1	ZINC000006393553	569046500	/nfs/dbraw/zinc/04/65/00/569046500.db2.gz	SFFCNOGGECLVON-GJZGRUSLSA-N	-1	0	400.435	2.329	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)c(OC)c1	ZINC000064922039	569122173	/nfs/dbraw/zinc/12/21/73/569122173.db2.gz	JXPZHAFCROIBHY-UHFFFAOYSA-N	-1	0	407.492	2.388	50	0		HEAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357526	569148938	/nfs/dbraw/zinc/14/89/38/569148938.db2.gz	DWJXLAFMIGPCSG-FQEVSTJZSA-N	-1	0	408.458	2.215	50	0		HEAARM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccn3)CC2)c1C(=O)[O-]	ZINC000036360099	569151360	/nfs/dbraw/zinc/15/13/60/569151360.db2.gz	YONDSDIGTUWXJY-FQEVSTJZSA-N	-1	0	408.458	2.215	50	0		HEAARM
O=C(c1nc(-c2csc(S(=O)(=O)[N-]c3cccnc3)c2)no1)N1CCCC1	ZINC000065097341	569176513	/nfs/dbraw/zinc/17/65/13/569176513.db2.gz	WTMWKJOEBDRQGX-UHFFFAOYSA-N	-1	0	405.461	2.230	50	0		HEAARM
O=C([O-])[C@H](NC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1	ZINC000006909400	569178692	/nfs/dbraw/zinc/17/86/92/569178692.db2.gz	UJBMHCCYDWVSNI-LJQANCHMSA-N	-1	0	409.442	2.192	50	0		HEAARM
CSCC[C@H](NC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-]	ZINC000002126628	569286222	/nfs/dbraw/zinc/28/62/22/569286222.db2.gz	PIUQWHRUBDAABM-ZBEGNZNMSA-N	-1	0	405.472	2.372	50	0	biogenic	HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2ccc(=O)oc2c1	ZINC000002138973	569287565	/nfs/dbraw/zinc/28/75/65/569287565.db2.gz	RAVDWUJYQNJZLJ-SFHVURJKSA-N	-1	0	406.394	2.465	50	0	biogenic	HEAARM
O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000002151580	569289989	/nfs/dbraw/zinc/28/99/89/569289989.db2.gz	OWFZDADMSQYQET-IBGZPJMESA-N	-1	0	407.422	2.473	50	0	biogenic	HEAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1	ZINC000007728406	569303632	/nfs/dbraw/zinc/30/36/32/569303632.db2.gz	JSKZERHGZKYZOX-INIZCTEOSA-N	-1	0	417.487	2.355	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(=O)[nH]c(=O)n(C2CCCCC2)c1[O-]	ZINC000002293282	569369275	/nfs/dbraw/zinc/36/92/75/569369275.db2.gz	ANOXMQUCIJSCQD-HNNXBMFYSA-N	-1	0	402.403	2.024	50	0		HEAARM
O=C([O-])C1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1	ZINC000013167021	569410338	/nfs/dbraw/zinc/41/03/38/569410338.db2.gz	AIRHBJQMZMETJI-UHFFFAOYSA-N	-1	0	414.911	2.451	50	0		HEAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)c1	ZINC000008589488	571085197	/nfs/dbraw/zinc/08/51/97/571085197.db2.gz	DHJZGXIHBUFJAF-UHFFFAOYSA-N	-1	0	407.473	2.350	50	0		HEAARM
O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)c1ccc(Br)cc1	ZINC000009032778	571212741	/nfs/dbraw/zinc/21/27/41/571212741.db2.gz	JKCCPTZJWTXEPQ-UHFFFAOYSA-N	-1	0	417.215	2.291	50	0		HEAARM
COc1ccc(C2=NN(C(=O)/C=C/C(=O)[O-])[C@]3(C2)C(=O)Nc2ccccc23)cc1OC	ZINC000009183974	571234536	/nfs/dbraw/zinc/23/45/36/571234536.db2.gz	ZDXMWDWQHWRABJ-CZQLGGELSA-N	-1	0	421.409	2.129	50	0		HEAARM
COc1ccc(OC)c([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(N)=O)cnn32)c1	ZINC000009409670	571255735	/nfs/dbraw/zinc/25/57/35/571255735.db2.gz	NVHCRORSQNPPCN-OAHLLOKOSA-N	-1	0	424.413	2.080	50	0		HEAARM
Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)s2)c1C	ZINC000009686702	571279994	/nfs/dbraw/zinc/27/99/94/571279994.db2.gz	NYXWVLMKEOGZDC-UHFFFAOYSA-N	-1	0	412.518	2.203	50	0		HEAARM
CC(C)C[C@@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-]	ZINC000071334035	571292805	/nfs/dbraw/zinc/29/28/05/571292805.db2.gz	ABPWINQCBKTBNR-OAHLLOKOSA-N	-1	0	422.279	2.288	50	0		HEAARM
Cc1nc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)sc1C(=O)[O-]	ZINC000014123836	571309614	/nfs/dbraw/zinc/30/96/14/571309614.db2.gz	IICSDMRKEXLKQX-ZDUSSCGKSA-N	-1	0	409.489	2.332	50	0		HEAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1	ZINC000008694624	132332228	/nfs/dbraw/zinc/33/22/28/132332228.db2.gz	OENKZWQKYICDPR-GCJKJVERSA-N	-1	0	423.494	2.443	50	0		HEAARM
COCC(=O)Nc1ccc(N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1C(=O)[O-]	ZINC000045967703	522785188	/nfs/dbraw/zinc/78/51/88/522785188.db2.gz	XUKCBQXEFHEISV-UHFFFAOYSA-N	-1	0	411.458	2.499	50	0		HEAARM
Cc1nc(-c2ccc(Cl)cc2Cl)sc1C(=O)NCC(=O)NCC(=O)[O-]	ZINC000040268607	526572900	/nfs/dbraw/zinc/57/29/00/526572900.db2.gz	PBRFTGMMHCYHKA-UHFFFAOYSA-N	-1	0	402.259	2.356	50	0		HEAARM
CS(=O)(=O)c1cc(I)c([O-])c(I)c1	ZINC000004099396	557513460	/nfs/dbraw/zinc/51/34/60/557513460.db2.gz	FTIFVUFZYLYABI-UHFFFAOYSA-N	-1	0	423.997	2.005	50	0		HEAARM
CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[S@@](=O)c1ccccc1C(=O)[O-]	ZINC000004375731	557548719	/nfs/dbraw/zinc/54/87/19/557548719.db2.gz	PINDQHQXJFMBBT-RUZDIDTESA-N	-1	0	407.391	2.478	50	0		HEAARM
CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)cc1	ZINC000004483391	557558782	/nfs/dbraw/zinc/55/87/82/557558782.db2.gz	DYBRMLFAAJODQR-MOPGFXCFSA-N	-1	0	407.430	2.190	50	0		HEAARM
CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000004969766	557618493	/nfs/dbraw/zinc/61/84/93/557618493.db2.gz	AEHFUSUKUVVNSP-IAGOWNOFSA-N	-1	0	413.434	2.480	50	0		HEAARM
CNS(=O)(=O)c1cc(Br)ccc1[S@](=O)c1ccccc1C(=O)[O-]	ZINC000006161594	557692195	/nfs/dbraw/zinc/69/21/95/557692195.db2.gz	RKQQOWLIGPREBW-QFIPXVFZSA-N	-1	0	418.290	2.222	50	0		HEAARM
Cc1nc(NC(=O)c2c(C(=O)[O-])cnn2C)sc1-n1ccc(C(F)(F)F)n1	ZINC000020615321	558392307	/nfs/dbraw/zinc/39/23/07/558392307.db2.gz	RHQFKPIRMGEEAD-UHFFFAOYSA-N	-1	0	400.342	2.340	50	0		HEAARM
COc1ccc(CNC(=O)CCC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1OC	ZINC000012415204	558402166	/nfs/dbraw/zinc/40/21/66/558402166.db2.gz	SSCDIVLGBRUACB-UHFFFAOYSA-N	-1	0	403.460	2.122	50	0		HEAARM
COc1cc(OC)cc([C@H]([N-]S(=O)(=O)c2c(C)noc2C)c2nccn2C)c1	ZINC000010748589	558436353	/nfs/dbraw/zinc/43/63/53/558436353.db2.gz	ZTAOLLYKYCAWLH-INIZCTEOSA-N	-1	0	406.464	2.110	50	0		HEAARM
O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1	ZINC000022822977	558514869	/nfs/dbraw/zinc/51/48/69/558514869.db2.gz	WSZCJFBUDYTMJR-HXRGIAOBSA-N	-1	0	419.481	2.348	50	0		HEAARM
O=C([O-])CNC(=O)c1ccc(NC(=O)CSc2ccc3c(c2)OCCO3)cc1	ZINC000013258375	558527947	/nfs/dbraw/zinc/52/79/47/558527947.db2.gz	PNVZEJHCMGAEAM-UHFFFAOYSA-N	-1	0	402.428	2.003	50	0		HEAARM
CS(=O)(=O)Cc1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1	ZINC000013260084	558528179	/nfs/dbraw/zinc/52/81/79/558528179.db2.gz	BILIIGOTQIGHKW-SFHVURJKSA-N	-1	0	400.456	2.138	50	0		HEAARM
COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000013626258	558551197	/nfs/dbraw/zinc/55/11/97/558551197.db2.gz	QEBXVPKENSJLIU-QFIPXVFZSA-N	-1	0	423.425	2.353	50	0		HEAARM
CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-]	ZINC000023701940	558568792	/nfs/dbraw/zinc/56/87/92/558568792.db2.gz	GQRJHHYSFUQMEK-AWEZNQCLSA-N	-1	0	402.900	2.354	50	0		HEAARM
Cc1nn(-c2ccccc2)nc1C(=O)[N-]N1C(=O)N[C@](C)(CCc2ccccc2)C1=O	ZINC000023945798	558582128	/nfs/dbraw/zinc/58/21/28/558582128.db2.gz	AABVYXCXNPCDHJ-JOCHJYFZSA-N	-1	0	418.457	2.164	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(F)cc1	ZINC000004483212	558602830	/nfs/dbraw/zinc/60/28/30/558602830.db2.gz	ZDQTVERLMUXYAC-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(c1cc(S(=O)(=O)[N-]c2ccccc2N2CCCC2=O)c[nH]1)N1CCCC1	ZINC000026535508	558662683	/nfs/dbraw/zinc/66/26/83/558662683.db2.gz	ACHOUMMZUWQORM-UHFFFAOYSA-N	-1	0	402.476	2.178	50	0		HEAARM
COc1c(N2CCN(C(C)=O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000030819405	558738839	/nfs/dbraw/zinc/73/88/39/558738839.db2.gz	CBEJXCSPOSIEGW-LLVKDONJSA-N	-1	0	417.437	2.239	50	0		HEAARM
COc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)nc(-c2ccco2)n1	ZINC000022204870	558779278	/nfs/dbraw/zinc/77/92/78/558779278.db2.gz	FCQXDQMDPLQKPV-UHFFFAOYSA-N	-1	0	409.811	2.304	50	0		HEAARM
O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc21	ZINC000017081842	558813667	/nfs/dbraw/zinc/81/36/67/558813667.db2.gz	OLUQOMNJKBXIFQ-UQZDFYISSA-N	-1	0	400.435	2.135	50	0		HEAARM
Cc1nc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCCCC3)ccc2C)cn1C	ZINC000058191337	558910691	/nfs/dbraw/zinc/91/06/91/558910691.db2.gz	GDAMOJLDGKWVQD-UHFFFAOYSA-N	-1	0	412.537	2.012	50	0		HEAARM
Cc1ccc([N-]S(=O)(=O)c2ccc(-c3n[nH]cc3C(=O)N3CCOCC3)o2)cc1	ZINC000097940827	558946812	/nfs/dbraw/zinc/94/68/12/558946812.db2.gz	FKFVRFXUFXCCAN-UHFFFAOYSA-N	-1	0	416.459	2.251	50	0		HEAARM
CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)cc1	ZINC000100036861	559129096	/nfs/dbraw/zinc/12/90/96/559129096.db2.gz	DYBRMLFAAJODQR-RTBURBONSA-N	-1	0	407.430	2.190	50	0		HEAARM
COCCNC(=O)CCCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S	ZINC000004951508	559215854	/nfs/dbraw/zinc/21/58/54/559215854.db2.gz	KKHZRBGPGMMKLH-UHFFFAOYSA-N	-1	0	404.492	2.482	50	0		HEAARM
COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2	ZINC000004992465	559224975	/nfs/dbraw/zinc/22/49/75/559224975.db2.gz	SWZGJZOFSOIGSX-IAGOWNOFSA-N	-1	0	413.821	2.281	50	0		HEAARM
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c(C(=O)OC)c1C	ZINC000005075038	559240780	/nfs/dbraw/zinc/24/07/80/559240780.db2.gz	RIXGSICHSOBYKB-UHFFFAOYSA-N	-1	0	409.445	2.307	50	0		HEAARM
COc1ccc(C2=NO[C@@](CC(=O)[O-])(C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1	ZINC000005483279	560596448	/nfs/dbraw/zinc/59/64/48/560596448.db2.gz	RDPBTHBEJXITCT-NRFANRHFSA-N	-1	0	412.398	2.443	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100934933	560763294	/nfs/dbraw/zinc/76/32/94/560763294.db2.gz	ONTWLJTVVSVKPA-HKUYNNGSSA-N	-1	0	407.426	2.301	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100935199	560763303	/nfs/dbraw/zinc/76/33/03/560763303.db2.gz	GTCNFIYRHSJUQB-IEBWSBKVSA-N	-1	0	423.425	2.001	50	0		HEAARM
CC(C)(C)OC(=O)N[C@@H](Cc1cn(CC(=O)OCc2ccccc2)cn1)C(=O)[O-]	ZINC000169677404	560765307	/nfs/dbraw/zinc/76/53/07/560765307.db2.gz	CZFPZZIWTZEDMJ-INIZCTEOSA-N	-1	0	403.435	2.147	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)cc(C)c4)c=3c2=O)cc1	ZINC000101166104	560787394	/nfs/dbraw/zinc/78/73/94/560787394.db2.gz	OAFSITVQLFRLMJ-RTBURBONSA-N	-1	0	407.430	2.244	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000101169258	560787726	/nfs/dbraw/zinc/78/77/26/560787726.db2.gz	VPPKTOPJFKURNR-HZPDHXFCSA-N	-1	0	403.320	2.036	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccccc1F	ZINC000101416198	560794579	/nfs/dbraw/zinc/79/45/79/560794579.db2.gz	APKCQLUOHNWCRU-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1	ZINC000101416424	560794606	/nfs/dbraw/zinc/79/46/06/560794606.db2.gz	SXYCKERZUGOHDE-SJORKVTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2	ZINC000101416161	560794607	/nfs/dbraw/zinc/79/46/07/560794607.db2.gz	SWZGJZOFSOIGSX-SJORKVTESA-N	-1	0	413.821	2.281	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1	ZINC000101416652	560794654	/nfs/dbraw/zinc/79/46/54/560794654.db2.gz	OIUYCDNZMISOEJ-RBUKOAKNSA-N	-1	0	407.430	2.190	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4OC)c=3c2=O)cc1	ZINC000101416637	560794666	/nfs/dbraw/zinc/79/46/66/560794666.db2.gz	KMMJPLMKHQTANL-OALUTQOASA-N	-1	0	407.430	2.190	50	0		HEAARM
COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1	ZINC000101417442	560794799	/nfs/dbraw/zinc/79/47/99/560794799.db2.gz	MYMBCQBDNXPZPV-ROUUACIJSA-N	-1	0	408.414	2.284	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OCC)cc3)C2)c1[O-]	ZINC000101456329	560795465	/nfs/dbraw/zinc/79/54/65/560795465.db2.gz	TYQHMFIKIMCMHJ-QGZVFWFLSA-N	-1	0	414.462	2.139	50	0		HEAARM
CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1cccs1	ZINC000101456560	560795517	/nfs/dbraw/zinc/79/55/17/560795517.db2.gz	LOMTWPUOSOQPDM-HNNXBMFYSA-N	-1	0	410.455	2.050	50	0		HEAARM
COc1ccc(-c2nn3c([n-]2)nc(CN2CCN(c4ccccc4)CC2)cc3=O)cc1	ZINC000101747597	560800171	/nfs/dbraw/zinc/80/01/71/560800171.db2.gz	LKCUPNQGXWBWFA-UHFFFAOYSA-N	-1	0	416.485	2.415	50	0		HEAARM
O=c1[nH]c([O-])c(C2=NN[C@@H](c3ccc(F)cc3)C2)c(=O)n1-c1cccc(Cl)c1	ZINC000101763247	560801108	/nfs/dbraw/zinc/80/11/08/560801108.db2.gz	VBBDGSWCLOFTNP-CQSZACIVSA-N	-1	0	400.797	2.463	50	0		HEAARM
O=C(NCc1cccnc1Oc1cccc(F)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000048288063	568434651	/nfs/dbraw/zinc/43/46/51/568434651.db2.gz	DLNPUWXROGYNER-UHFFFAOYSA-N	-1	0	407.361	2.280	50	0		HEAARM
CON(C)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1	ZINC000024454641	568511819	/nfs/dbraw/zinc/51/18/19/568511819.db2.gz	CZYJTRFFYACQCO-HNNXBMFYSA-N	-1	0	404.492	2.133	50	0		HEAARM
CCc1ccccc1N1CCN(C(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)CC1	ZINC000222380204	568514991	/nfs/dbraw/zinc/51/49/91/568514991.db2.gz	OFPYVRIPEHGIFY-JOCHJYFZSA-N	-1	0	401.507	2.191	50	0		HEAARM
C[C@@H]1Oc2ccccc2N(CCC(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2F)C1=O	ZINC000095464023	568622352	/nfs/dbraw/zinc/62/23/52/568622352.db2.gz	WKRRIVBBSNHCNY-BBATYDOGSA-N	-1	0	404.369	2.411	50	0		HEAARM
Cc1cc(S(=O)(=O)CCO)ccc1[N-]S(=O)(=O)c1c(F)cccc1Cl	ZINC000225588915	568655007	/nfs/dbraw/zinc/65/50/07/568655007.db2.gz	KCILBOXFEXIWPD-UHFFFAOYSA-N	-1	0	407.872	2.354	50	0		HEAARM
O=C([O-])[C@]12CCC(=O)N1c1cc(F)ccc1-c1nc(=O)c(-c3ccc(F)cc3)nn12	ZINC000095944221	568663123	/nfs/dbraw/zinc/66/31/23/568663123.db2.gz	YHCHNSNYRRLLGV-HXUWFJFHSA-N	-1	0	410.336	2.128	50	0		HEAARM
CCOc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCOCC1	ZINC000021154348	568673187	/nfs/dbraw/zinc/67/31/87/568673187.db2.gz	AHBPBJQSMJRKOX-UHFFFAOYSA-N	-1	0	421.519	2.314	50	0		HEAARM
Cc1nnc(NC(=O)CSc2nc(-c3ccccc3F)nc3cc(=O)[n-]n32)s1	ZINC000021537236	568712474	/nfs/dbraw/zinc/71/24/74/568712474.db2.gz	ROJPLUSBBKYSGH-UHFFFAOYSA-N	-1	0	417.451	2.114	50	0		HEAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000096286302	568719302	/nfs/dbraw/zinc/71/93/02/568719302.db2.gz	DWUSSCJDRQGPEF-SJORKVTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(OC)cc2)cc1	ZINC000096361143	568738921	/nfs/dbraw/zinc/73/89/21/568738921.db2.gz	SPIRQAOOFAMERG-UHFFFAOYSA-N	-1	0	402.432	2.480	50	0		HEAARM
Cc1ccccc1N1CCN(C(=O)c2snc3c2nc([O-])n(C2CC2)c3=O)CC1	ZINC000096396715	568745317	/nfs/dbraw/zinc/74/53/17/568745317.db2.gz	LKJNSPIYAYVSAB-UHFFFAOYSA-N	-1	0	411.487	2.164	50	0		HEAARM
CCOC(=O)c1sc(-n2[n-]c(=O)c3ccccc3c2=O)c(C(=O)OCC)c1C	ZINC000000943183	568753505	/nfs/dbraw/zinc/75/35/05/568753505.db2.gz	PCYFJBQUNVNISO-UHFFFAOYSA-N	-1	0	402.428	2.402	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1	ZINC000096458335	568754053	/nfs/dbraw/zinc/75/40/53/568754053.db2.gz	GXYWQZAFFAMHHE-RBUKOAKNSA-N	-1	0	407.430	2.244	50	0		HEAARM
CC(=O)O[C@@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C(=O)[O-])[C@]1(C)CC[C@@H]34	ZINC000254570834	568756521	/nfs/dbraw/zinc/75/65/21/568756521.db2.gz	LHUPEQRPYAACKK-NFHNQDQDSA-N	-1	0	406.475	2.436	50	0		HEAARM
CC(=O)O[C@@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C(=O)[O-])[C@@]1(C)CC[C@@H]34	ZINC000254570658	568756610	/nfs/dbraw/zinc/75/66/10/568756610.db2.gz	LHUPEQRPYAACKK-IIVCUQBRSA-N	-1	0	406.475	2.436	50	0		HEAARM
Cc1ccc(N(CC(N)=O)[C@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000001018916	568762632	/nfs/dbraw/zinc/76/26/32/568762632.db2.gz	ZMEXYPHYNNHILJ-SFHVURJKSA-N	-1	0	413.455	2.207	50	0		HEAARM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)cc1OC	ZINC000022458852	568768115	/nfs/dbraw/zinc/76/81/15/568768115.db2.gz	LOLUNQRCYQWQHN-MRXNPFEDSA-N	-1	0	403.508	2.159	50	0		HEAARM
CCc1nc2sc([C@H](c3ccc(CC)cc3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578279	568770477	/nfs/dbraw/zinc/77/04/77/568770477.db2.gz	ZBWQBANDIHKVIJ-SFHVURJKSA-N	-1	0	415.563	2.321	50	0		HEAARM
Cn1cc(S(=O)(=O)[N-]c2ccccc2SCc2ccccc2)c(=O)n(C)c1=O	ZINC000012584258	568865813	/nfs/dbraw/zinc/86/58/13/568865813.db2.gz	UFEQJYAWVXCRSC-UHFFFAOYSA-N	-1	0	417.512	2.177	50	0		HEAARM
Cc1ccc(-n2nnnc2SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c(C)c1	ZINC000003298211	568875585	/nfs/dbraw/zinc/87/55/85/568875585.db2.gz	SCGNXWZOKCQNPO-GOSISDBHSA-N	-1	0	423.498	2.409	50	0		HEAARM
Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](CC[S@](C)=O)C(=O)[O-])c(C)c3cc12	ZINC000004081315	568938970	/nfs/dbraw/zinc/93/89/70/568938970.db2.gz	VRINVXPZWWHUEC-MHTXLSKPSA-N	-1	0	419.455	2.037	50	0	biogenic	HEAARM
Cc1c(Cl)cccc1S(=O)(=O)Nc1cnc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000035397704	569034980	/nfs/dbraw/zinc/03/49/80/569034980.db2.gz	AQHCVSKCFPJDKR-UHFFFAOYSA-N	-1	0	411.867	2.379	50	0		HEAARM
CC(C)[C@H](NC(=O)CCCCCNC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-]	ZINC000006623959	569075354	/nfs/dbraw/zinc/07/53/54/569075354.db2.gz	ZXYBFPKQCVGTGC-SFHVURJKSA-N	-1	0	415.494	2.352	50	0	biogenic	HEAARM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(CCc3ccccn3)CC2)c1C(=O)[O-]	ZINC000036359687	569151634	/nfs/dbraw/zinc/15/16/34/569151634.db2.gz	VMBOGOSWPKRASZ-NRFANRHFSA-N	-1	0	422.485	2.258	50	0		HEAARM
Cc1ccc(NC(=O)CSCC(=O)[O-])cc1S(=O)(=O)N1CCCCCC1	ZINC000006939592	569185469	/nfs/dbraw/zinc/18/54/69/569185469.db2.gz	UCLGTIGLFYUPGX-UHFFFAOYSA-N	-1	0	400.522	2.316	50	0		HEAARM
O=S(=O)([N-]c1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccs1	ZINC000007054784	569214382	/nfs/dbraw/zinc/21/43/82/569214382.db2.gz	HQOSDLNWVHGWGX-UHFFFAOYSA-N	-1	0	409.533	2.222	50	0		HEAARM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O	ZINC000170596615	569241694	/nfs/dbraw/zinc/24/16/94/569241694.db2.gz	HNJVAAHOPRVDCX-AAEUAGOBSA-N	-1	0	405.804	2.265	50	0		HEAARM
CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008876285	571130777	/nfs/dbraw/zinc/13/07/77/571130777.db2.gz	XDWSCOYZQNIZKJ-RBUKOAKNSA-N	-1	0	423.469	2.089	50	0	biogenic	HEAARM
CN(C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)[C@H]1CCS(=O)(=O)C1	ZINC000040016174	571138793	/nfs/dbraw/zinc/13/87/93/571138793.db2.gz	BGJCOYNXTUJUHT-AWEZNQCLSA-N	-1	0	423.560	2.265	50	0		HEAARM
CC(=O)N1CCc2ccccc2[C@@H]1c1c([O-])[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O	ZINC000008914187	571150233	/nfs/dbraw/zinc/15/02/33/571150233.db2.gz	NDFYIIARXUWNHJ-HXUWFJFHSA-N	-1	0	405.454	2.342	50	0		HEAARM
C[C@@H](Cn1ccnc1)NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000040154174	571201467	/nfs/dbraw/zinc/20/14/67/571201467.db2.gz	DZKODCNDIRXWTJ-AWEZNQCLSA-N	-1	0	404.517	2.493	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(=O)[nH]c(=O)n([C@H](C)c2ccccc2)c1[O-]	ZINC000009130100	571227548	/nfs/dbraw/zinc/22/75/48/571227548.db2.gz	LGLPYAVKDHVDSW-PIGZYNQJSA-N	-1	0	424.409	2.129	50	0		HEAARM
O=C(CCNC(=O)OCc1ccccc1)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000069416421	571227739	/nfs/dbraw/zinc/22/77/39/571227739.db2.gz	QCONIGJGTSBYJA-UHFFFAOYSA-N	-1	0	417.487	2.117	50	0		HEAARM
COc1ccc(C)cc1[C@H](C)NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2	ZINC000069515416	571228681	/nfs/dbraw/zinc/22/86/81/571228681.db2.gz	AGXYCLSVGYXCFE-LBPRGKRZSA-N	-1	0	413.459	2.190	50	0		HEAARM
Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000009250874	571242174	/nfs/dbraw/zinc/24/21/74/571242174.db2.gz	WKHDOFODNXHNTA-UHFFFAOYSA-N	-1	0	404.477	2.306	50	0		HEAARM
COc1cccc(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c1	ZINC000009348210	571250347	/nfs/dbraw/zinc/25/03/47/571250347.db2.gz	NCDUTPBHGOQXTD-HXUWFJFHSA-N	-1	0	418.453	2.299	50	0	biogenic	HEAARM
Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(C)n1C	ZINC000009684785	571279532	/nfs/dbraw/zinc/27/95/32/571279532.db2.gz	YRMMCCZGCKOXFX-UHFFFAOYSA-N	-1	0	405.476	2.407	50	0		HEAARM
Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2ccc(F)cc2C)c(C)n1C	ZINC000009685241	571279848	/nfs/dbraw/zinc/27/98/48/571279848.db2.gz	RYGHERUVKIXHHQ-UHFFFAOYSA-N	-1	0	409.483	2.363	50	0		HEAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3ccc(=O)n(C)n3)c2)c1	ZINC000010324755	571300363	/nfs/dbraw/zinc/30/03/63/571300363.db2.gz	ZDIBKWRVJVAHAU-UHFFFAOYSA-N	-1	0	401.444	2.265	50	0		HEAARM
CC(C)NC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2)CC1	ZINC000032947011	519707357	/nfs/dbraw/zinc/70/73/57/519707357.db2.gz	CLMSAKHAYNACDP-UHFFFAOYSA-N	-1	0	424.501	2.284	50	0		HEAARM
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3F)cc2)C1	ZINC000032081563	526316825	/nfs/dbraw/zinc/31/68/25/526316825.db2.gz	PZNJRFCSXWKAPH-VIFPVBQESA-N	-1	0	414.361	2.342	50	0		HEAARM
O=C([O-])[C@H]1C[C@H](C(=O)NCc2ccccn2)CN(C(=O)c2ccccc2Cl)C1	ZINC000072148094	526333683	/nfs/dbraw/zinc/33/36/83/526333683.db2.gz	JULRZIURWWNYII-KBPBESRZSA-N	-1	0	401.850	2.214	50	0		HEAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)nc(OC)n1	ZINC000001056530	557161872	/nfs/dbraw/zinc/16/18/72/557161872.db2.gz	UELDXUWFOSLWEZ-UHFFFAOYSA-N	-1	0	418.431	2.448	50	0		HEAARM
O=C([O-])c1c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)sc2c1CCCC2	ZINC000002847101	557403065	/nfs/dbraw/zinc/40/30/65/557403065.db2.gz	OJIPYKKUNJFVGH-UHFFFAOYSA-N	-1	0	420.468	2.108	50	0		HEAARM
O=C([O-])CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1	ZINC000004755618	557593478	/nfs/dbraw/zinc/59/34/78/557593478.db2.gz	ZUSKCMDCNVDSMJ-GXDHUFHOSA-N	-1	0	407.220	2.404	50	0		HEAARM
CC(C)[C@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-]	ZINC000005522692	557659587	/nfs/dbraw/zinc/65/95/87/557659587.db2.gz	YEARSOVZWZNBTD-YJJOXIQCSA-N	-1	0	400.387	2.005	50	0		HEAARM
O=C([N-]N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cn2ccccc2n1	ZINC000008746633	557805196	/nfs/dbraw/zinc/80/51/96/557805196.db2.gz	IOJPIRPHAFPQCX-UHFFFAOYSA-N	-1	0	411.421	2.475	50	0		HEAARM
CCc1nc2sc([C@@H](c3cccc(F)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855112	557842227	/nfs/dbraw/zinc/84/22/27/557842227.db2.gz	PXYFFTKDTTVFKS-MRXNPFEDSA-N	-1	0	403.483	2.451	50	0		HEAARM
CCc1nc2sc([C@H](c3ccc(OC)cc3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855139	557842285	/nfs/dbraw/zinc/84/22/85/557842285.db2.gz	HIAPSBABNFPNJU-KRWDZBQOSA-N	-1	0	415.519	2.321	50	0		HEAARM
CCc1nc2sc([C@@H](c3ccc(F)cc3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855115	557842309	/nfs/dbraw/zinc/84/23/09/557842309.db2.gz	BXVPEMWZTPACOD-MRXNPFEDSA-N	-1	0	403.483	2.451	50	0		HEAARM
O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000020728679	558405654	/nfs/dbraw/zinc/40/56/54/558405654.db2.gz	NGUUMEWCJNNBDN-LJQANCHMSA-N	-1	0	417.462	2.439	50	0		HEAARM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1	ZINC000013013144	558503656	/nfs/dbraw/zinc/50/36/56/558503656.db2.gz	NQBLCUQIGVIPJN-HNNXBMFYSA-N	-1	0	412.471	2.374	50	0		HEAARM
COc1ccc(NC(=O)[C@H](C)NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000022699932	558505513	/nfs/dbraw/zinc/50/55/13/558505513.db2.gz	LXUWCVPPYXXGEP-NSHDSACASA-N	-1	0	409.439	2.098	50	0		HEAARM
C[C@H]1Cc2ccccc2N1C(=O)CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013235779	558527686	/nfs/dbraw/zinc/52/76/86/558527686.db2.gz	YAXPWEZKMKXWAW-IFXJQAMLSA-N	-1	0	420.469	2.441	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1	ZINC000004483257	558602887	/nfs/dbraw/zinc/60/28/87/558602887.db2.gz	JDIVWEUQJGVXAT-IAGOWNOFSA-N	-1	0	413.821	2.281	50	0		HEAARM
CCN(CC)C(=O)CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000028480342	558701704	/nfs/dbraw/zinc/70/17/04/558701704.db2.gz	RIYBYMIDLVCPMT-UHFFFAOYSA-N	-1	0	409.533	2.489	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H](C(=O)[O-])C1	ZINC000000915946	558835928	/nfs/dbraw/zinc/83/59/28/558835928.db2.gz	KIANNQQHPVDFSC-ROUUACIJSA-N	-1	0	422.503	2.093	50	0		HEAARM
CCn1cc(C(=O)N2CCc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3C2)cn1	ZINC000077344063	559002013	/nfs/dbraw/zinc/00/20/13/559002013.db2.gz	XMUDWVWODYIGNM-UHFFFAOYSA-N	-1	0	411.487	2.297	50	0		HEAARM
Cc1cnc(C(=O)N2CCc3ccc(S(=O)(=O)[N-]c4cccnc4)cc3C2)cn1	ZINC000077377890	559002847	/nfs/dbraw/zinc/00/28/47/559002847.db2.gz	YIPQNZNOPDMEAS-UHFFFAOYSA-N	-1	0	409.471	2.179	50	0		HEAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1	ZINC000100033120	559128830	/nfs/dbraw/zinc/12/88/30/559128830.db2.gz	LMBICMXQWVASQA-IAGOWNOFSA-N	-1	0	413.821	2.281	50	0		HEAARM
O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1	ZINC000100328041	559134133	/nfs/dbraw/zinc/13/41/33/559134133.db2.gz	WSZCJFBUDYTMJR-XBGMYJNYSA-N	-1	0	419.481	2.348	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100932729	559141963	/nfs/dbraw/zinc/14/19/63/559141963.db2.gz	OUDGQSGPULAIOQ-MJGOQNOKSA-N	-1	0	407.426	2.301	50	0		HEAARM
COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000100356191	559196287	/nfs/dbraw/zinc/19/62/87/559196287.db2.gz	AWCJJRJNTFVAQV-YAINUAMHSA-N	-1	0	422.437	2.039	50	0		HEAARM
CS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21	ZINC000005136872	559249876	/nfs/dbraw/zinc/24/98/76/559249876.db2.gz	NKWHIIXTAYCARG-UHFFFAOYSA-N	-1	0	402.444	2.478	50	0		HEAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C	ZINC000011858285	559263073	/nfs/dbraw/zinc/26/30/73/559263073.db2.gz	OZYAHHSEXQRQKU-UHFFFAOYSA-N	-1	0	424.500	2.261	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2c(C)nc(N3CCOCC3)nc2C)cc1Cl	ZINC000206719173	560733273	/nfs/dbraw/zinc/73/32/73/560733273.db2.gz	OJUGMNCNKYRPMB-UHFFFAOYSA-N	-1	0	412.899	2.393	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2cccc(OC)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100945018	560763467	/nfs/dbraw/zinc/76/34/67/560763467.db2.gz	WTZGRCIZQMWTLS-PKOBYXMFSA-N	-1	0	423.425	2.001	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942446	560763491	/nfs/dbraw/zinc/76/34/91/560763491.db2.gz	QVJBNCUQBNXYME-HKUYNNGSSA-N	-1	0	423.425	2.001	50	0		HEAARM
CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=O)n(-c2ccccc2Cl)c1=O	ZINC000101000669	560766530	/nfs/dbraw/zinc/76/65/30/560766530.db2.gz	BELVHYSGHZBQGY-SFHVURJKSA-N	-1	0	411.845	2.379	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)cc(C)c4)c=3c2=O)cc1	ZINC000101166101	560787316	/nfs/dbraw/zinc/78/73/16/560787316.db2.gz	OAFSITVQLFRLMJ-RBUKOAKNSA-N	-1	0	407.430	2.244	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1Cl	ZINC000101168767	560787665	/nfs/dbraw/zinc/78/76/65/560787665.db2.gz	XZGQDOCVWOBSFK-IAGOWNOFSA-N	-1	0	413.821	2.281	50	0		HEAARM
CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1	ZINC000101169281	560787746	/nfs/dbraw/zinc/78/77/46/560787746.db2.gz	NKLGIGMVMOMDQC-ZWKOTPCHSA-N	-1	0	413.384	2.459	50	0		HEAARM
CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1cccs1	ZINC000101456563	560795481	/nfs/dbraw/zinc/79/54/81/560795481.db2.gz	LOMTWPUOSOQPDM-OAHLLOKOSA-N	-1	0	410.455	2.050	50	0		HEAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccccc1	ZINC000101765078	560799519	/nfs/dbraw/zinc/79/95/19/560799519.db2.gz	VWAONCYTGBOEBL-SFHVURJKSA-N	-1	0	418.453	2.378	50	0		HEAARM
O=C(CSc1nc(=O)cc([O-])n1C1CCCC1)NCc1ccc2c(c1)OCO2	ZINC000102796624	560827978	/nfs/dbraw/zinc/82/79/78/560827978.db2.gz	WJIKDNRDMHZDCT-UHFFFAOYSA-N	-1	0	403.460	2.201	50	0		HEAARM
COC(=O)c1ccc(COc2c(OC)cc([C@H]3N[C@@H](C(=O)[O-])CS3)cc2OC)o1	ZINC000020606359	560885808	/nfs/dbraw/zinc/88/58/08/560885808.db2.gz	HOSCMJLFLVHKFN-PXAZEXFGSA-N	-1	0	423.443	2.451	50	0		HEAARM
COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1	ZINC000012201307	560891752	/nfs/dbraw/zinc/89/17/52/560891752.db2.gz	JOVCOLMHENBCHX-UHFFFAOYSA-N	-1	0	402.428	2.352	50	0		HEAARM
COc1ccc(-c2ccc(=O)n(CC(=O)NCC3(CC(=O)[O-])CCCCC3)n2)cc1	ZINC000049546474	568451502	/nfs/dbraw/zinc/45/15/02/568451502.db2.gz	YGQKFJZRZVSHIF-UHFFFAOYSA-N	-1	0	413.474	2.460	50	0		HEAARM
COc1ccc(C)cc1CN1CCN(S(=O)(=O)c2ccc(CC(=O)[O-])s2)CC1	ZINC000049592571	568452453	/nfs/dbraw/zinc/45/24/53/568452453.db2.gz	PMPZCIQBXCOXDE-UHFFFAOYSA-N	-1	0	424.544	2.199	50	0		HEAARM
CCc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3NCCc4cc(OC)c(OC)cc43)c2=O)cc1	ZINC000020410452	568605150	/nfs/dbraw/zinc/60/51/50/568605150.db2.gz	WRVFUZUNWYBQFO-HXUWFJFHSA-N	-1	0	423.469	2.046	50	0	biogenic	HEAARM
COc1cnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc2)nc1	ZINC000095440787	568610598	/nfs/dbraw/zinc/61/05/98/568610598.db2.gz	HLGHSMDBGLZLIE-GFCCVEGCSA-N	-1	0	417.274	2.418	50	0		HEAARM
CNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1	ZINC000095464058	568622368	/nfs/dbraw/zinc/62/23/68/568622368.db2.gz	AIWJKEPXAGBXCQ-HNNXBMFYSA-N	-1	0	414.842	2.333	50	0		HEAARM
Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@@]23C(=O)[O-])cc1C	ZINC000095469538	568625507	/nfs/dbraw/zinc/62/55/07/568625507.db2.gz	AWMITMGFHRFZEU-JOCHJYFZSA-N	-1	0	402.410	2.467	50	0		HEAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCOCC1	ZINC000021154357	568673208	/nfs/dbraw/zinc/67/32/08/568673208.db2.gz	SPTNRBMYZKUKAE-UHFFFAOYSA-N	-1	0	421.519	2.232	50	0		HEAARM
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)[N-]S(=O)(=O)c1c(C)onc1N	ZINC000225856949	568681221	/nfs/dbraw/zinc/68/12/21/568681221.db2.gz	LXZKKSMDHPANKR-UHFFFAOYSA-N	-1	0	423.882	2.199	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c1	ZINC000096012192	568684620	/nfs/dbraw/zinc/68/46/20/568684620.db2.gz	YAALHNAHCFSVLY-PGGUUEOZSA-N	-1	0	424.544	2.335	50	0		HEAARM
COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c([O-])nc2ccccn2c1=O	ZINC000096113860	568693448	/nfs/dbraw/zinc/69/34/48/568693448.db2.gz	RKOXKXWZKXKORZ-CYBMUJFWSA-N	-1	0	422.393	2.210	50	0	biogenic	HEAARM
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000000913157	568750232	/nfs/dbraw/zinc/75/02/32/568750232.db2.gz	YRLBWBBZHKVXBY-UHFFFAOYSA-N	-1	0	414.443	2.304	50	0		HEAARM
Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022458847	568768105	/nfs/dbraw/zinc/76/81/05/568768105.db2.gz	TWPHBJIXOWXEHU-HNNXBMFYSA-N	-1	0	407.927	2.158	50	0		HEAARM
CCOC(=O)N1CCN([C@H](c2sc3ncnn3c2[O-])c2ccc(OC)cc2)CC1	ZINC000022609455	568771596	/nfs/dbraw/zinc/77/15/96/568771596.db2.gz	OYOBYNHGVWVCJJ-HNNXBMFYSA-N	-1	0	417.491	2.369	50	0		HEAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2cccnc2)C3=O)cc1	ZINC000001123779	568772875	/nfs/dbraw/zinc/77/28/75/568772875.db2.gz	QITFQZQKCZGBDU-UHFFFAOYSA-N	-1	0	408.391	2.413	50	0		HEAARM
O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccc2c(c1)OCO2	ZINC000002966760	568830936	/nfs/dbraw/zinc/83/09/36/568830936.db2.gz	PUFLXHVWRZHCOI-HNNXBMFYSA-N	-1	0	422.466	2.180	50	0		HEAARM
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)[n-]1	ZINC000031652216	568837283	/nfs/dbraw/zinc/83/72/83/568837283.db2.gz	NQJLZLZPERLKCQ-UHFFFAOYSA-N	-1	0	418.453	2.335	50	0		HEAARM
Cc1ccc(-n2nnnc2SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cc1	ZINC000003298213	568875493	/nfs/dbraw/zinc/87/54/93/568875493.db2.gz	HCQNXDQJOBIKJE-KRWDZBQOSA-N	-1	0	409.471	2.101	50	0		HEAARM
COC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217598470	568896533	/nfs/dbraw/zinc/89/65/33/568896533.db2.gz	XULYYOTYXWZBLS-INIZCTEOSA-N	-1	0	403.431	2.429	50	0	biogenic	HEAARM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H]2CCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000059191484	568945412	/nfs/dbraw/zinc/94/54/12/568945412.db2.gz	HDACQVRGBOVJII-XCZFOBESSA-N	-1	0	416.518	2.383	50	0		HEAARM
CON(C)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1	ZINC000012773863	568952965	/nfs/dbraw/zinc/95/29/65/568952965.db2.gz	UKEQHSOLGUESKW-UHFFFAOYSA-N	-1	0	408.860	2.462	50	0		HEAARM
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)cc1	ZINC000012816213	568989734	/nfs/dbraw/zinc/98/97/34/568989734.db2.gz	ILNLQBCUYJHQAV-UHFFFAOYSA-N	-1	0	418.518	2.024	50	0		HEAARM
CN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000089382753	569058806	/nfs/dbraw/zinc/05/88/06/569058806.db2.gz	ALYAVETZLOBSKM-UHFFFAOYSA-N	-1	0	401.467	2.322	50	0		HEAARM
CCOC(=O)CCCc1ccc(C(C)=NN=C2NC(=O)[C@H](CC(=O)[O-])S2)cc1	ZINC000252637853	569061128	/nfs/dbraw/zinc/06/11/28/569061128.db2.gz	XXMOIKDORPMYBC-HNNXBMFYSA-N	-1	0	405.476	2.359	50	0		HEAARM
CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(=O)[O-])cc1	ZINC000064461975	569063163	/nfs/dbraw/zinc/06/31/63/569063163.db2.gz	YMPZZWPTLPPTNB-UHFFFAOYSA-N	-1	0	419.503	2.336	50	0		HEAARM
Cc1cccc(C(=O)Nc2ccc(N3CCN(CC(=O)N(C)C)CC3)cc2C(=O)[O-])c1	ZINC000064589663	569069020	/nfs/dbraw/zinc/06/90/20/569069020.db2.gz	DRKULZIOCHEMQD-UHFFFAOYSA-N	-1	0	424.501	2.156	50	0		HEAARM
CC(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C(=O)[O-]	ZINC000064590030	569069095	/nfs/dbraw/zinc/06/90/95/569069095.db2.gz	WSILVIIFEQIHNO-UHFFFAOYSA-N	-1	0	414.437	2.243	50	0		HEAARM
COc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCC[C@@H]2C(=O)[O-])C1=O	ZINC000006660392	569083124	/nfs/dbraw/zinc/08/31/24/569083124.db2.gz	XYEHUNGCLLCFRQ-NWFCWYBLSA-N	-1	0	404.444	2.197	50	0		HEAARM
O=C(Cn1nnc2c1c(=O)[nH][n-]c2=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1	ZINC000006829668	569143364	/nfs/dbraw/zinc/14/33/64/569143364.db2.gz	FJJQQAPQJGILPD-MRXNPFEDSA-N	-1	0	415.413	2.010	50	0		HEAARM
COc1ccc(CCN2C(=O)C[C@H](Nc3cc(C(=O)[O-])ccc3C)C2=O)cc1OC	ZINC000006831547	569147656	/nfs/dbraw/zinc/14/76/56/569147656.db2.gz	AFMPTKINLLINON-KRWDZBQOSA-N	-1	0	412.442	2.493	50	0		HEAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccccn3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359377	569150623	/nfs/dbraw/zinc/15/06/23/569150623.db2.gz	CABFWLVJSFKPGD-HXUWFJFHSA-N	-1	0	408.458	2.215	50	0		HEAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3n(c2)CCN(C(C)C)C3=O)cc1	ZINC000065254749	569207393	/nfs/dbraw/zinc/20/73/93/569207393.db2.gz	GTXGUYGNYUGEOA-UHFFFAOYSA-N	-1	0	405.476	2.330	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1cc(=O)oc2cc(O)ccc12	ZINC000002098175	569281044	/nfs/dbraw/zinc/28/10/44/569281044.db2.gz	FAHZZVDBRSXCPZ-SFHVURJKSA-N	-1	0	406.394	2.335	50	0	biogenic	HEAARM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CCn2c3ccccc3nc21)C(C)C)C(=O)[O-]	ZINC000012664444	569402707	/nfs/dbraw/zinc/40/27/07/569402707.db2.gz	CQDIFMNXDMRGBC-JQFCIGGWSA-N	-1	0	415.494	2.206	50	0	biogenic	HEAARM
CC[C@@H]1CCCCN1C(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[n-]1	ZINC000008584031	571083080	/nfs/dbraw/zinc/08/30/80/571083080.db2.gz	WPBYALHMNOIMKE-LLVKDONJSA-N	-1	0	405.480	2.081	50	0		HEAARM
CCS(=O)(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2C1	ZINC000008840376	571123390	/nfs/dbraw/zinc/12/33/90/571123390.db2.gz	FCAGJNFNVZLKBA-UHFFFAOYSA-N	-1	0	416.471	2.473	50	0		HEAARM
O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@H]2c3cc(Br)ccc3OC(=O)[C@@H]12	ZINC000009075414	571218588	/nfs/dbraw/zinc/21/85/88/571218588.db2.gz	YADKFDAQGLEUEA-QXFUBDJGSA-N	-1	0	414.258	2.425	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(=O)[nH]c(=O)n([C@@H](C)c2ccccc2)c1[O-]	ZINC000009130099	571227569	/nfs/dbraw/zinc/22/75/69/571227569.db2.gz	LGLPYAVKDHVDSW-APPDUMDISA-N	-1	0	424.409	2.129	50	0		HEAARM
O=C([O-])CCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@]12C(=O)Nc1ccccc12	ZINC000009340968	571249843	/nfs/dbraw/zinc/24/98/43/571249843.db2.gz	WXWUGXAXWHZACW-OAQYLSRUSA-N	-1	0	407.382	2.064	50	0		HEAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)NCc1ccncc1	ZINC000009818251	571286170	/nfs/dbraw/zinc/28/61/70/571286170.db2.gz	XMBINUQNPHGRPW-UHFFFAOYSA-N	-1	0	406.464	2.337	50	0		HEAARM
CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000009058912	132227933	/nfs/dbraw/zinc/22/79/33/132227933.db2.gz	LVCIHWDSZSUXFR-YOEHRIQHSA-N	-1	0	404.467	2.444	50	0	biogenic	HEAARM
COc1ccc([C@H]2C/C(=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2)cc1	ZINC000009318333	132338632	/nfs/dbraw/zinc/33/86/32/132338632.db2.gz	RJOQYTJEKMNMNX-XNSRXUQDSA-N	-1	0	412.833	2.425	50	0		HEAARM
CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)N(C(C)=O)CCO3)OCO2	ZINC000009405475	132339314	/nfs/dbraw/zinc/33/93/14/132339314.db2.gz	VTQQAWJLNYKWOI-UHFFFAOYSA-N	-1	0	418.427	2.164	50	0		HEAARM
O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1cc(Br)ccc1F	ZINC000042267193	526852329	/nfs/dbraw/zinc/85/23/29/526852329.db2.gz	YXQJQZKAKCLXGN-UHFFFAOYSA-N	-1	0	416.224	2.478	50	0		HEAARM
NC(=O)c1c(SCC(=O)NCc2cccc(Cl)c2)sc2c1[nH]c(=O)cc2[O-]	ZINC000040284438	527019612	/nfs/dbraw/zinc/01/96/12/527019612.db2.gz	HWNZSOBBTOBISA-UHFFFAOYSA-N	-1	0	423.903	2.456	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c(OC)c1	ZINC000001109100	557181678	/nfs/dbraw/zinc/18/16/78/557181678.db2.gz	ZQPGYKMXBKZJBE-UHFFFAOYSA-N	-1	0	414.867	2.331	50	0		HEAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)n1	ZINC000002137043	557317558	/nfs/dbraw/zinc/31/75/58/557317558.db2.gz	PLORBEBBDBRJME-UHFFFAOYSA-N	-1	0	407.521	2.363	50	0		HEAARM
CCc1nc2sc([C@@H](c3ccccc3F)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855108	557842190	/nfs/dbraw/zinc/84/21/90/557842190.db2.gz	OVCXRCVCKVAVKJ-MRXNPFEDSA-N	-1	0	403.483	2.451	50	0		HEAARM
COc1cc(OC)cc([C@@H]([N-]S(=O)(=O)c2c(C)noc2C)c2nccn2C)c1	ZINC000010748601	558436235	/nfs/dbraw/zinc/43/62/35/558436235.db2.gz	ZTAOLLYKYCAWLH-MRXNPFEDSA-N	-1	0	406.464	2.110	50	0		HEAARM
O=C([O-])C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1	ZINC000012794425	558467478	/nfs/dbraw/zinc/46/74/78/558467478.db2.gz	AHVMTEUPZNBGEW-UHFFFAOYSA-N	-1	0	414.911	2.451	50	0		HEAARM
O=C([O-])c1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1	ZINC000013442594	558532901	/nfs/dbraw/zinc/53/29/01/558532901.db2.gz	YHPKHZUEUQZADN-UHFFFAOYSA-N	-1	0	402.472	2.142	50	0		HEAARM
CS(=O)(=O)c1ccc(F)c(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1	ZINC000023075496	558533264	/nfs/dbraw/zinc/53/32/64/558533264.db2.gz	WWNGUSNIAHAARE-UHFFFAOYSA-N	-1	0	401.437	2.047	50	0		HEAARM
COc1cccc(-c2cc(C(=O)[O-])c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)c1	ZINC000026421275	558660639	/nfs/dbraw/zinc/66/06/39/558660639.db2.gz	QOTUFZGGFFEPFC-ZDUSSCGKSA-N	-1	0	401.444	2.473	50	0		HEAARM
O=C(c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2-n2cncn2)c[nH]1)N1CCCC1	ZINC000026534940	558662762	/nfs/dbraw/zinc/66/27/62/558662762.db2.gz	AWEWASGRJMGLAM-UHFFFAOYSA-N	-1	0	420.882	2.286	50	0		HEAARM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H]2CCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000033359806	558767949	/nfs/dbraw/zinc/76/79/49/558767949.db2.gz	HDACQVRGBOVJII-ZMHJYQQXSA-N	-1	0	416.518	2.383	50	0	in-vitro	HEAARM
CC1=C(C)C[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)[C@H](C(=O)[O-])C1	ZINC000017089282	558817925	/nfs/dbraw/zinc/81/79/25/558817925.db2.gz	KALWCNXWNQMLDY-HUUCEWRRSA-N	-1	0	412.533	2.028	50	0		HEAARM
COc1cc(OC)cc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)c1	ZINC000071614683	558905931	/nfs/dbraw/zinc/90/59/31/558905931.db2.gz	BLMOZNRSPGHWAK-UHFFFAOYSA-N	-1	0	407.444	2.090	50	0		HEAARM
COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)[C@H]2CC2(F)F)C3)cc1	ZINC000067473210	558986952	/nfs/dbraw/zinc/98/69/52/558986952.db2.gz	ZZMWPTHSDGTSLR-OAHLLOKOSA-N	-1	0	405.401	2.373	50	0		HEAARM
Cn1nc2cccc(S(=O)(=O)N3CCC[C@@H](c4cccc(C(=O)[O-])c4)C3)c2n1	ZINC000095389126	559080833	/nfs/dbraw/zinc/08/08/33/559080833.db2.gz	BKLIBOYYTWLRRM-OAHLLOKOSA-N	-1	0	400.460	2.235	50	0		HEAARM
COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000100356194	559196307	/nfs/dbraw/zinc/19/63/07/559196307.db2.gz	AWCJJRJNTFVAQV-JZHDPFOFSA-N	-1	0	422.437	2.039	50	0		HEAARM
O=C([O-])CCNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccco1	ZINC000004891601	559198552	/nfs/dbraw/zinc/19/85/52/559198552.db2.gz	KIFRZNMGJFNNIM-RAXLEYEMSA-N	-1	0	407.220	2.404	50	0		HEAARM
COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc(C)c(C)c3)c(C(N)=O)n2)c1[O-]	ZINC000005143571	559252148	/nfs/dbraw/zinc/25/21/48/559252148.db2.gz	HLCHCLOQWTUZAR-UHFFFAOYSA-N	-1	0	405.414	2.206	50	0		HEAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1	ZINC000011858195	559262778	/nfs/dbraw/zinc/26/27/78/559262778.db2.gz	JOIYTYVLDIHEDE-ZDUSSCGKSA-N	-1	0	424.500	2.199	50	0		HEAARM
CCc1ccccc1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC	ZINC000011858330	559263069	/nfs/dbraw/zinc/26/30/69/559263069.db2.gz	UFXVURDKNAYMAU-UHFFFAOYSA-N	-1	0	424.500	2.125	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1S(=O)(=O)N(C)C	ZINC000005602479	560629264	/nfs/dbraw/zinc/62/92/64/560629264.db2.gz	AFGNQSKIRYCOGM-UHFFFAOYSA-N	-1	0	404.897	2.400	50	0		HEAARM
Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000101083570	560773110	/nfs/dbraw/zinc/77/31/10/560773110.db2.gz	ZAEVOYHFMFTLEO-UXHICEINSA-N	-1	0	405.458	2.221	50	0		HEAARM
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(F)cc4)c=3c2=O)c1	ZINC000101083573	560773174	/nfs/dbraw/zinc/77/31/74/560773174.db2.gz	CTTYRJMWZSMJCA-OALUTQOASA-N	-1	0	409.421	2.052	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CCC(=O)Oc2ccc(C)cc2)cc1	ZINC000005683289	560781435	/nfs/dbraw/zinc/78/14/35/560781435.db2.gz	JHWDXXKDLRFZCK-UHFFFAOYSA-N	-1	0	404.444	2.144	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1	ZINC000101166246	560787432	/nfs/dbraw/zinc/78/74/32/560787432.db2.gz	QXFRYCSISLLAOD-ROUUACIJSA-N	-1	0	411.393	2.156	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000101387965	560793926	/nfs/dbraw/zinc/79/39/26/560793926.db2.gz	PYUKAKKPFJUNRD-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)cc4)c=3c2=O)cc1	ZINC000101416663	560794682	/nfs/dbraw/zinc/79/46/82/560794682.db2.gz	MYHKIHCHFKDSCS-RBUKOAKNSA-N	-1	0	407.430	2.190	50	0		HEAARM
COC(=O)CNC(=O)Cc1c(C)[n-]n(-c2nc(-c3ccc(Cl)cc3)cs2)c1=O	ZINC000101505307	560796734	/nfs/dbraw/zinc/79/67/34/560796734.db2.gz	LTRUEXDXEBBZPR-UHFFFAOYSA-N	-1	0	420.878	2.495	50	0		HEAARM
COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)cc1	ZINC000101762955	560800838	/nfs/dbraw/zinc/80/08/38/560800838.db2.gz	VZRWHYCLDUUEMP-QGZVFWFLSA-N	-1	0	406.442	2.296	50	0		HEAARM
CCOc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccccc3C)c2=O)=NN1	ZINC000101762937	560800907	/nfs/dbraw/zinc/80/09/07/560800907.db2.gz	PWTHJFLENMOTIR-OAHLLOKOSA-N	-1	0	406.442	2.377	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1	ZINC000085808971	568442446	/nfs/dbraw/zinc/44/24/46/568442446.db2.gz	GKZCBBZHXJTMEU-UHFFFAOYSA-N	-1	0	417.447	2.110	50	0		HEAARM
Cc1cccc([N-]S(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1	ZINC000085808967	568442495	/nfs/dbraw/zinc/44/24/95/568442495.db2.gz	DPBOYVQIRFMTGN-UHFFFAOYSA-N	-1	0	401.448	2.410	50	0		HEAARM
CCc1ccccc1N1CCN(C(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)CC1	ZINC000222380262	568515059	/nfs/dbraw/zinc/51/50/59/568515059.db2.gz	OFPYVRIPEHGIFY-QFIPXVFZSA-N	-1	0	401.507	2.191	50	0		HEAARM
O=C([O-])C1(NC(=O)CN2C(=O)COc3cc(Br)ccc32)CCCCC1	ZINC000095350261	568600761	/nfs/dbraw/zinc/60/07/61/568600761.db2.gz	YQIUGXNMYRLTNC-UHFFFAOYSA-N	-1	0	411.252	2.078	50	0		HEAARM
Cc1ccc(S(=O)(=O)NCCC(=O)N[C@H](CC(=O)[O-])c2cccs2)c(C)c1	ZINC000095349953	568600771	/nfs/dbraw/zinc/60/07/71/568600771.db2.gz	GHPFEYVXUNRXRT-CQSZACIVSA-N	-1	0	410.517	2.366	50	0		HEAARM
CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N([C@@H](C)C1CC1)C1CC1	ZINC000095445226	568611668	/nfs/dbraw/zinc/61/16/68/568611668.db2.gz	QOBWYTAAOXKNJX-LBPRGKRZSA-N	-1	0	402.538	2.408	50	0		HEAARM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1	ZINC000095989850	568677767	/nfs/dbraw/zinc/67/77/67/568677767.db2.gz	YRJMWZRQTVQXIV-WCJKSRRJSA-N	-1	0	420.506	2.465	50	0		HEAARM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1	ZINC000095989851	568677770	/nfs/dbraw/zinc/67/77/70/568677770.db2.gz	YRJMWZRQTVQXIV-MCFFVMPBSA-N	-1	0	420.506	2.465	50	0		HEAARM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(F)cc2)c1C(=O)Nc1ccc(C(N)=O)cc1	ZINC000096326950	568734894	/nfs/dbraw/zinc/73/48/94/568734894.db2.gz	GNDRJNCPUTYFGR-UHFFFAOYSA-N	-1	0	417.422	2.009	50	0		HEAARM
COc1ccccc1CNC(=O)CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O	ZINC000002966857	568830920	/nfs/dbraw/zinc/83/09/20/568830920.db2.gz	QSGQTNIEWBFHLB-INIZCTEOSA-N	-1	0	408.483	2.460	50	0		HEAARM
COc1ccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)cc1	ZINC000002966756	568830982	/nfs/dbraw/zinc/83/09/82/568830982.db2.gz	DPIJXKHLDTZUJR-KRWDZBQOSA-N	-1	0	408.483	2.460	50	0		HEAARM
O=C([O-])[C@H]1CCCN1C(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	ZINC000002993166	568836507	/nfs/dbraw/zinc/83/65/07/568836507.db2.gz	USDFRWGXLQCRDH-ABPVARSCSA-N	-1	0	408.410	2.262	50	0		HEAARM
CCOC(=O)N1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)CC1	ZINC000012521344	568841920	/nfs/dbraw/zinc/84/19/20/568841920.db2.gz	IUMIYWUJNYCDGY-UHFFFAOYSA-N	-1	0	423.516	2.463	50	0		HEAARM
CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1	ZINC000012525816	568842796	/nfs/dbraw/zinc/84/27/96/568842796.db2.gz	ADSSYJNLKIVPFG-UHFFFAOYSA-N	-1	0	424.422	2.462	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC3)ccc2OC)c(OC)c1	ZINC000012526306	568843245	/nfs/dbraw/zinc/84/32/45/568843245.db2.gz	WLUADFRVCHMCQA-UHFFFAOYSA-N	-1	0	406.460	2.359	50	0		HEAARM
CCOC(=O)N1CCC(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000012551031	568853130	/nfs/dbraw/zinc/85/31/30/568853130.db2.gz	AWZAUVYOCKRJCW-UHFFFAOYSA-N	-1	0	404.492	2.186	50	0		HEAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)cc1	ZINC000003202189	568861495	/nfs/dbraw/zinc/86/14/95/568861495.db2.gz	GPAOJILOQKOBDM-PXNSSMCTSA-N	-1	0	417.531	2.445	50	0		HEAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1	ZINC000003202193	568861512	/nfs/dbraw/zinc/86/15/12/568861512.db2.gz	GPAOJILOQKOBDM-FXAWDEMLSA-N	-1	0	417.531	2.445	50	0		HEAARM
CN1CCc2c3ccccc3[nH]c2[C@H]1c1c(=O)[nH]c(=O)n(Cc2ccccc2)c1[O-]	ZINC000003985161	568931321	/nfs/dbraw/zinc/93/13/21/568931321.db2.gz	NGKSGHOITBEMOT-HXUWFJFHSA-N	-1	0	402.454	2.349	50	0	biogenic	HEAARM
COC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1	ZINC000004306514	568960686	/nfs/dbraw/zinc/96/06/86/568960686.db2.gz	IRVOOLNXRQKXCU-UHFFFAOYSA-N	-1	0	405.457	2.315	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1	ZINC000006198808	569031492	/nfs/dbraw/zinc/03/14/92/569031492.db2.gz	BDWYFOSDRCJQGA-MSOLQXFVSA-N	-1	0	424.494	2.106	50	0		HEAARM
C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C(=O)[O-])CC1	ZINC000064491167	569064399	/nfs/dbraw/zinc/06/43/99/569064399.db2.gz	VSANUZBTAHIAAK-UHFFFAOYSA-N	-1	0	411.430	2.216	50	0		HEAARM
CCCC(=O)Nc1ccc(N2CCN(CC(=O)N(CC)CC)CC2)cc1C(=O)[O-]	ZINC000064589377	569068983	/nfs/dbraw/zinc/06/89/83/569068983.db2.gz	PVBJVNMRBFSERK-UHFFFAOYSA-N	-1	0	404.511	2.114	50	0		HEAARM
C[C@H](NC(=O)COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2)C(=O)[O-]	ZINC000006624068	569075444	/nfs/dbraw/zinc/07/54/44/569075444.db2.gz	KCEPQUNGBKBVEH-NSHDSACASA-N	-1	0	415.442	2.353	50	0	biogenic	HEAARM
CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000006624082	569075477	/nfs/dbraw/zinc/07/54/77/569075477.db2.gz	AKWYEFSAEVMHJA-DOTOQJQBSA-N	-1	0	415.494	2.206	50	0	biogenic	HEAARM
CC(C)C[C@H](NC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000006658472	569083395	/nfs/dbraw/zinc/08/33/95/569083395.db2.gz	RCISSNOGVFMDHK-JMLCCBQJSA-N	-1	0	415.490	2.112	50	0		HEAARM
COc1cccc(/C=C2\SC(=O)N(CCC(=O)N3CCC(C(=O)[O-])CC3)C2=O)c1	ZINC000006660965	569085066	/nfs/dbraw/zinc/08/50/66/569085066.db2.gz	IQZSRGATADCKTM-VBKFSLOCSA-N	-1	0	418.471	2.445	50	0		HEAARM
COc1ccc(CCNS(=O)(=O)[N-]C(=O)c2cn(C)c3ccccc23)cc1OC	ZINC000006668886	569086127	/nfs/dbraw/zinc/08/61/27/569086127.db2.gz	RIHPERWNNOMAHL-UHFFFAOYSA-N	-1	0	417.487	2.002	50	0		HEAARM
CCN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036366459	569152583	/nfs/dbraw/zinc/15/25/83/569152583.db2.gz	FAHVMVNDKDNCLQ-KRWDZBQOSA-N	-1	0	424.295	2.252	50	0		HEAARM
CC(C)[C@@H](NC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1)C(=O)[O-]	ZINC000036580018	569203039	/nfs/dbraw/zinc/20/30/39/569203039.db2.gz	VTCPAVSQPNVJLB-LJQANCHMSA-N	-1	0	400.479	2.064	50	0		HEAARM
CS(=O)(=O)c1cc(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)ccc1Cl	ZINC000065589403	569236507	/nfs/dbraw/zinc/23/65/07/569236507.db2.gz	SLFHGCMSNYYEBC-UHFFFAOYSA-N	-1	0	405.856	2.142	50	0		HEAARM
COc1ccc(CCNC(=O)c2ccsc2NC(=O)/C=C/C(=O)[O-])cc1OC	ZINC000013324003	569254888	/nfs/dbraw/zinc/25/48/88/569254888.db2.gz	HYPBGPHLOBKRBP-AATRIKPKSA-N	-1	0	404.444	2.317	50	0		HEAARM
CSCC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-]	ZINC000002091430	569280323	/nfs/dbraw/zinc/28/03/23/569280323.db2.gz	UUKASYBOHBOLLK-HNNXBMFYSA-N	-1	0	405.472	2.291	50	0	biogenic	HEAARM
CC(C)[C@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002949999	569322551	/nfs/dbraw/zinc/32/25/51/569322551.db2.gz	YEARSOVZWZNBTD-OLXGIWCBSA-N	-1	0	400.387	2.005	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012888425	569404540	/nfs/dbraw/zinc/40/45/40/569404540.db2.gz	PGKZDBLPSWBQQE-KYNGSXCRSA-N	-1	0	423.469	2.089	50	0	biogenic	HEAARM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1C)n(C)c(=O)c(=O)n2C	ZINC000013364518	569412088	/nfs/dbraw/zinc/41/20/88/569412088.db2.gz	IERFJFSHBRUFLG-UHFFFAOYSA-N	-1	0	423.878	2.008	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000008481092	571055221	/nfs/dbraw/zinc/05/52/21/571055221.db2.gz	XPFJVRRUJNMMRX-HKLFFYFNSA-N	-1	0	400.479	2.213	50	0		HEAARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=C1C[C@@H](c2ccc3c(c2)OCO3)NN1	ZINC000009046036	571215585	/nfs/dbraw/zinc/21/55/85/571215585.db2.gz	XDHSIQHFKXEIJH-JZYMCLRRSA-N	-1	0	406.398	2.327	50	0		HEAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cnn(-c2ccccc2)n1	ZINC000009222892	571238467	/nfs/dbraw/zinc/23/84/67/571238467.db2.gz	QAWRAINPSHQXCO-UHFFFAOYSA-N	-1	0	421.442	2.110	50	0		HEAARM
CS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21	ZINC000005136863	132303024	/nfs/dbraw/zinc/30/30/24/132303024.db2.gz	XJKSFRULRMFMDO-UHFFFAOYSA-N	-1	0	402.444	2.478	50	0		HEAARM
CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000009045854	132335279	/nfs/dbraw/zinc/33/52/79/132335279.db2.gz	SURKMFHLWKXZKM-KRWDZBQOSA-N	-1	0	402.451	2.152	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cn2cc(C(C)=O)c3ccccc32)cc1	ZINC000040267968	519679134	/nfs/dbraw/zinc/67/91/34/519679134.db2.gz	KUMRQKUIOSSRKT-UHFFFAOYSA-N	-1	0	413.455	2.307	50	0		HEAARM
NC(=O)c1c(SCC(=O)Nc2ccc(F)cc2F)sc2c1[nH]c(=O)cc2[O-]	ZINC000040287866	527020264	/nfs/dbraw/zinc/02/02/64/527020264.db2.gz	DRXNUFQUCOFIHN-UHFFFAOYSA-N	-1	0	411.411	2.403	50	0		HEAARM
O=C([O-])CCNS(=O)(=O)c1ccc(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1	ZINC000096765975	527593170	/nfs/dbraw/zinc/59/31/70/527593170.db2.gz	YWMMNDLEUUKVKI-WTKPLQERSA-N	-1	0	404.400	2.244	50	0		HEAARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000001027479	557145729	/nfs/dbraw/zinc/14/57/29/557145729.db2.gz	FVTMYTDTIHUTKV-UHFFFAOYSA-N	-1	0	411.432	2.308	50	0		HEAARM
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1	ZINC000001138823	557202725	/nfs/dbraw/zinc/20/27/25/557202725.db2.gz	ZKTASZQYOZUBEB-UHFFFAOYSA-N	-1	0	401.448	2.372	50	0		HEAARM
COc1cc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)[O-])cc(OC)c1OC	ZINC000002027272	557299742	/nfs/dbraw/zinc/29/97/42/557299742.db2.gz	CFPOFJWYQABITJ-AWNIVKPZSA-N	-1	0	401.371	2.297	50	0		HEAARM
COc1ccc(Cc2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[n-]2)cc1OC	ZINC000034768397	557463012	/nfs/dbraw/zinc/46/30/12/557463012.db2.gz	RDAIFEGYWSLTNX-UHFFFAOYSA-N	-1	0	400.479	2.376	50	0		HEAARM
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000004321884	557540916	/nfs/dbraw/zinc/54/09/16/557540916.db2.gz	YPLGNDYBRBVBCT-RBUKOAKNSA-N	-1	0	414.458	2.455	50	0		HEAARM
O=C([O-])c1ccc(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1	ZINC000002706947	557744135	/nfs/dbraw/zinc/74/41/35/557744135.db2.gz	QNKQVUJYOUZGGE-JTQLQIEISA-N	-1	0	402.662	2.453	50	0		HEAARM
Cn1c2cc(S(=O)(=O)[N-]c3ccccc3C(=O)NC(C)(C)C)ccc2oc1=O	ZINC000008783090	557808627	/nfs/dbraw/zinc/80/86/27/557808627.db2.gz	XTYFRDPFXOVMDD-UHFFFAOYSA-N	-1	0	403.460	2.461	50	0		HEAARM
COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1I	ZINC000009323271	557837071	/nfs/dbraw/zinc/83/70/71/557837071.db2.gz	KWKWWGFUYCNYHT-BJMVGYQFSA-N	-1	0	419.196	2.421	50	0		HEAARM
Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c(=O)oc2c1	ZINC000020412609	558360929	/nfs/dbraw/zinc/36/09/29/558360929.db2.gz	FSJULAQQWFCXPN-INIZCTEOSA-N	-1	0	411.410	2.176	50	0	biogenic	HEAARM
NC(=O)NCCC[C@@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)[O-]	ZINC000020718672	558402264	/nfs/dbraw/zinc/40/22/64/558402264.db2.gz	AGWVHKSDNPBEQM-CYBMUJFWSA-N	-1	0	410.883	2.024	50	0		HEAARM
C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013235206	558527702	/nfs/dbraw/zinc/52/77/02/558527702.db2.gz	IYARUPHWSPUIMO-QBIMZIAESA-N	-1	0	400.479	2.158	50	0		HEAARM
O=C([O-])CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl	ZINC000004503297	558615742	/nfs/dbraw/zinc/61/57/42/558615742.db2.gz	BJRAGOBDGIWCDB-DHDCSXOGSA-N	-1	0	416.817	2.431	50	0		HEAARM
O=C([O-])CCCCCNC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1	ZINC000584906340	558834293	/nfs/dbraw/zinc/83/42/93/558834293.db2.gz	GKNMEKMEKJKKRI-WKILWMFISA-N	-1	0	400.479	2.359	50	0		HEAARM
CC(C)c1nc(-c2ccccc2[N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)n[nH]1	ZINC000058170984	558908164	/nfs/dbraw/zinc/90/81/64/558908164.db2.gz	ZNTSZNIGUSJEHY-UHFFFAOYSA-N	-1	0	421.504	2.043	50	0		HEAARM
COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc(-n3cccn3)cc2)c1	ZINC000071754680	558909632	/nfs/dbraw/zinc/90/96/32/558909632.db2.gz	WPEASFGQAHCDLN-UHFFFAOYSA-N	-1	0	401.444	2.162	50	0		HEAARM
O=C([O-])c1cc(-n2ncc3ccccc32)cc(S(=O)(=O)N2CCSCC2)c1	ZINC000071760938	558910046	/nfs/dbraw/zinc/91/00/46/558910046.db2.gz	MIXTXCVEMRGTGY-UHFFFAOYSA-N	-1	0	403.485	2.461	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]cc3C(=O)N(C)C)oc2C)cc1	ZINC000097940945	558945811	/nfs/dbraw/zinc/94/58/11/558945811.db2.gz	ADYNAZCHAJZRJM-UHFFFAOYSA-N	-1	0	404.448	2.489	50	0		HEAARM
CSCCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1	ZINC000077357892	559002424	/nfs/dbraw/zinc/00/24/24/559002424.db2.gz	VUFUJKLBDWOZGY-UHFFFAOYSA-N	-1	0	412.562	2.285	50	0		HEAARM
COc1ccc(OCCn2c3ccccc3n3nc(CCC(=O)[O-])c(=O)nc23)cc1	ZINC000004748590	559048699	/nfs/dbraw/zinc/04/86/99/559048699.db2.gz	QXPWZRSSGIMKGA-UHFFFAOYSA-N	-1	0	408.414	2.149	50	0		HEAARM
COc1cc([C@@H](C2=C([O-])COC2=O)c2cc3c(cc2O)OCO3)cc(OC)c1O	ZINC000100695856	559137977	/nfs/dbraw/zinc/13/79/77/559137977.db2.gz	CAILQCQSVWLBGY-QGZVFWFLSA-N	-1	0	402.355	2.345	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1	ZINC000004969722	559219487	/nfs/dbraw/zinc/21/94/87/559219487.db2.gz	VFVUSHZNFRDCSW-IAGOWNOFSA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1	ZINC000005075831	559241053	/nfs/dbraw/zinc/24/10/53/559241053.db2.gz	LQQLPFZVTJWLHY-UHFFFAOYSA-N	-1	0	414.480	2.483	50	0		HEAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(S(C)(=O)=O)CCC2	ZINC000005136856	559249907	/nfs/dbraw/zinc/24/99/07/559249907.db2.gz	MZPGIZPFWLCXJC-UHFFFAOYSA-N	-1	0	414.480	2.347	50	0		HEAARM
O=S(=O)([N-]c1cc(-c2ccco2)nn1[C@@H]1CCS(=O)(=O)C1)c1ccccc1	ZINC000011795950	559259773	/nfs/dbraw/zinc/25/97/73/559259773.db2.gz	IBZPQLIWLLANJM-CYBMUJFWSA-N	-1	0	407.473	2.304	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(-c2ccccc2C)c1=O	ZINC000100792121	559267263	/nfs/dbraw/zinc/26/72/63/559267263.db2.gz	NOCKKTWDROTOSL-HOTGVXAUSA-N	-1	0	410.382	2.123	50	0	biogenic	HEAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(-c2ccccc2C)c1=O	ZINC000100792122	559267299	/nfs/dbraw/zinc/26/72/99/559267299.db2.gz	NOCKKTWDROTOSL-HZPDHXFCSA-N	-1	0	410.382	2.123	50	0	biogenic	HEAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cc(Cl)c(OC)c(OC)c1	ZINC000005429759	560586597	/nfs/dbraw/zinc/58/65/97/560586597.db2.gz	FECLRBCGGOLTDS-UHFFFAOYSA-N	-1	0	407.806	2.479	50	0		HEAARM
Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000101083562	560773182	/nfs/dbraw/zinc/77/31/82/560773182.db2.gz	ZAEVOYHFMFTLEO-VQTJNVASSA-N	-1	0	405.458	2.221	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(F)cc1	ZINC000101165618	560787306	/nfs/dbraw/zinc/78/73/06/560787306.db2.gz	ZDQTVERLMUXYAC-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)cc1	ZINC000101165947	560787323	/nfs/dbraw/zinc/78/73/23/560787323.db2.gz	LNARJVUSSGFAFN-RTBURBONSA-N	-1	0	423.429	2.026	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1	ZINC000101174412	560787991	/nfs/dbraw/zinc/78/79/91/560787991.db2.gz	IGPGRHVPHDSXCR-ROUUACIJSA-N	-1	0	411.393	2.156	50	0		HEAARM
COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cc(OC)cc(OC)c4)c(=O)c2=3)c1	ZINC000101260866	560789952	/nfs/dbraw/zinc/78/99/52/560789952.db2.gz	MNSZSQFUAPDRFK-ROUUACIJSA-N	-1	0	412.402	2.219	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccccc1F	ZINC000101416194	560794597	/nfs/dbraw/zinc/79/45/97/560794597.db2.gz	APKCQLUOHNWCRU-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1	ZINC000101417446	560794801	/nfs/dbraw/zinc/79/48/01/560794801.db2.gz	MYMBCQBDNXPZPV-MSOLQXFVSA-N	-1	0	408.414	2.284	50	0		HEAARM
CCCCn1c([O-])c(C2=NN[C@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=O	ZINC000101761940	560800518	/nfs/dbraw/zinc/80/05/18/560800518.db2.gz	UMYGACTYEVHKFO-LBPRGKRZSA-N	-1	0	407.268	2.244	50	0		HEAARM
CCOc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccccc3OC)c2=O)=NN1	ZINC000101762852	560800896	/nfs/dbraw/zinc/80/08/96/560800896.db2.gz	IGLMVHDQEAYAMY-CQSZACIVSA-N	-1	0	422.441	2.077	50	0		HEAARM
Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=NN[C@@H](c4ccc5c(c4)OCO5)C3)c2=O)c1	ZINC000101763023	560800923	/nfs/dbraw/zinc/80/09/23/560800923.db2.gz	XGAILSNNALYUJT-OAHLLOKOSA-N	-1	0	420.425	2.016	50	0		HEAARM
Cc1cccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)S(=O)(=O)c2ccccc2)c1	ZINC000101802322	560802088	/nfs/dbraw/zinc/80/20/88/560802088.db2.gz	YBRVMHWZCKKCJL-UHFFFAOYSA-N	-1	0	409.471	2.430	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccccc1F	ZINC000101165873	560851130	/nfs/dbraw/zinc/85/11/30/560851130.db2.gz	DKVRTVNPDGWUTK-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1	ZINC000101174414	560851229	/nfs/dbraw/zinc/85/12/29/560851229.db2.gz	IGPGRHVPHDSXCR-MSOLQXFVSA-N	-1	0	411.393	2.156	50	0		HEAARM
CSCC[C@H](NC(=O)Cn1nc(-c2ccc3ccccc3c2)ccc1=O)C(=O)[O-]	ZINC000049547428	568451613	/nfs/dbraw/zinc/45/16/13/568451613.db2.gz	SQNLDTRSHVMWHY-SFHVURJKSA-N	-1	0	411.483	2.386	50	0		HEAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1	ZINC000000706278	568463548	/nfs/dbraw/zinc/46/35/48/568463548.db2.gz	VBJWCIUIMUOSNN-UHFFFAOYSA-N	-1	0	422.418	2.409	50	0		HEAARM
O=C([O-])[C@@H](NC(=O)CSc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1	ZINC000218489777	568480953	/nfs/dbraw/zinc/48/09/53/568480953.db2.gz	ZCLBBSJGTCGKOV-ZDUSSCGKSA-N	-1	0	411.365	2.177	50	0		HEAARM
Cc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)NCCCC(=O)[O-])cc1	ZINC000020035263	568586463	/nfs/dbraw/zinc/58/64/63/568586463.db2.gz	MFFXOOXTHVWALD-BOPFTXTBSA-N	-1	0	410.426	2.476	50	0		HEAARM
O=C([O-])CNC(=O)Cc1ccc(NC(=O)Cc2ccccc2Br)cc1	ZINC000095425114	568607748	/nfs/dbraw/zinc/60/77/48/568607748.db2.gz	RLRAOEOBRXZEJC-UHFFFAOYSA-N	-1	0	405.248	2.374	50	0		HEAARM
Cc1cccc(C[C@H](CNC(=O)c2nn(-c3cccc(F)c3)ccc2=O)C(=O)[O-])c1	ZINC000095425408	568607945	/nfs/dbraw/zinc/60/79/45/568607945.db2.gz	HQKADSRDMZHBKR-MRXNPFEDSA-N	-1	0	409.417	2.353	50	0		HEAARM
COC(=O)N1CCN(c2ccncc2[N-]S(=O)(=O)c2ccc(C)c(F)c2)CC1	ZINC000225743658	568670421	/nfs/dbraw/zinc/67/04/21/568670421.db2.gz	VADJJPWUBBNAEX-UHFFFAOYSA-N	-1	0	408.455	2.218	50	0		HEAARM
CC(C)N(CCC(=O)[O-])C(=O)CCNC(=O)c1cc(F)ccc1Br	ZINC000095970063	568671366	/nfs/dbraw/zinc/67/13/66/568671366.db2.gz	XCVXTGXZWFOZLH-UHFFFAOYSA-N	-1	0	403.248	2.420	50	0		HEAARM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)CCc1cccc(Br)c1	ZINC000095970571	568671546	/nfs/dbraw/zinc/67/15/46/568671546.db2.gz	MHEGJKGOTWWJGC-UHFFFAOYSA-N	-1	0	411.296	2.163	50	0		HEAARM
O=C([O-])[C@H](NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(F)cc1F	ZINC000095989724	568677593	/nfs/dbraw/zinc/67/75/93/568677593.db2.gz	LKIHSMDECQRBOG-QGZVFWFLSA-N	-1	0	421.356	2.265	50	0		HEAARM
O=C(NCCCCn1ccnn1)c1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000096007964	568683111	/nfs/dbraw/zinc/68/31/11/568683111.db2.gz	BWGUJYDNHZYSJW-UHFFFAOYSA-N	-1	0	405.505	2.351	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c1	ZINC000096012195	568684587	/nfs/dbraw/zinc/68/45/87/568684587.db2.gz	YAALHNAHCFSVLY-ASHKIFAZSA-N	-1	0	424.544	2.335	50	0		HEAARM
COC(=O)C[C@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])nc2ccc(C)cn2c1=O	ZINC000096115538	568695078	/nfs/dbraw/zinc/69/50/78/568695078.db2.gz	CPSONUGYLGOFFQ-CYBMUJFWSA-N	-1	0	414.414	2.126	50	0	biogenic	HEAARM
O=c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cn2)cc1	ZINC000239672620	568729863	/nfs/dbraw/zinc/72/98/63/568729863.db2.gz	BUFPFYOCJSACHE-UHFFFAOYSA-N	-1	0	410.455	2.308	50	0		HEAARM
CCOC(=O)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2cccc(OC)c2)CC1	ZINC000022609891	568771872	/nfs/dbraw/zinc/77/18/72/568771872.db2.gz	NLRHBTMLRUMJBH-OAHLLOKOSA-N	-1	0	417.491	2.369	50	0		HEAARM
NC(=O)c1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc(C(N)=O)c1	ZINC000002638329	568792808	/nfs/dbraw/zinc/79/28/08/568792808.db2.gz	ODGPBQRHMUDNLF-UHFFFAOYSA-N	-1	0	421.784	2.357	50	0		HEAARM
CCn1nc(C)c([N-]S(=O)(=O)c2cc(-c3nnnn3CC)ccc2OC)c1C	ZINC000057279435	568825647	/nfs/dbraw/zinc/82/56/47/568825647.db2.gz	VKKAMAQTGAZATD-UHFFFAOYSA-N	-1	0	405.484	2.003	50	0		HEAARM
COc1ccc(CNC(=O)CC[C@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)cc1	ZINC000002966758	568830912	/nfs/dbraw/zinc/83/09/12/568830912.db2.gz	DPIJXKHLDTZUJR-QGZVFWFLSA-N	-1	0	408.483	2.460	50	0		HEAARM
CCOc1cc2[n-]c(=S)n(CCCC(=O)NCCOC)c(=O)c2cc1OCC	ZINC000003010249	568837665	/nfs/dbraw/zinc/83/76/65/568837665.db2.gz	VDWLCRJXDABNHP-UHFFFAOYSA-N	-1	0	409.508	2.399	50	0		HEAARM
Cc1nc2n(n1)-c1nnc(SCC(=O)[O-])n1-c1sc3c(c1-2)CC(C)(C)OC3	ZINC000001901322	568840078	/nfs/dbraw/zinc/84/00/78/568840078.db2.gz	SYPLDMBGCCJMMU-UHFFFAOYSA-N	-1	0	404.477	2.226	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c1	ZINC000012525863	568842802	/nfs/dbraw/zinc/84/28/02/568842802.db2.gz	ZAPCAXQTRHPMMA-UHFFFAOYSA-N	-1	0	412.489	2.118	50	0		HEAARM
COc1ccccc1N1CCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000003043751	568848127	/nfs/dbraw/zinc/84/81/27/568848127.db2.gz	OGPZYOTUTBKMLS-UHFFFAOYSA-N	-1	0	410.499	2.416	50	0		HEAARM
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000001423270	568938724	/nfs/dbraw/zinc/93/87/24/568938724.db2.gz	MQDIUYQLALOXSL-INIZCTEOSA-N	-1	0	402.428	2.012	50	0		HEAARM
O=C([O-])C1(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCCCC1	ZINC000084451682	568949279	/nfs/dbraw/zinc/94/92/79/568949279.db2.gz	OBISQOVDHBCRQQ-UHFFFAOYSA-N	-1	0	423.263	2.339	50	0		HEAARM
CN(C)S(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])ccc1Cl	ZINC000008313876	568989387	/nfs/dbraw/zinc/98/93/87/568989387.db2.gz	CYJKUTREIMBXCX-HNNXBMFYSA-N	-1	0	410.879	2.016	50	0		HEAARM
CC(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)[O-]	ZINC000008429583	569002828	/nfs/dbraw/zinc/00/28/28/569002828.db2.gz	QHKKKYBRYFLWBY-INIZCTEOSA-N	-1	0	416.927	2.356	50	0		HEAARM
CCN(CC)C(=O)CN1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589823	569069097	/nfs/dbraw/zinc/06/90/97/569069097.db2.gz	FFXUJSCEBWEWCG-UHFFFAOYSA-N	-1	0	418.538	2.360	50	0		HEAARM
CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3Cc2ccccc2)CO1	ZINC000006669673	569086493	/nfs/dbraw/zinc/08/64/93/569086493.db2.gz	VGYGYCFKYVUSQM-UHFFFAOYSA-N	-1	0	400.456	2.209	50	0		HEAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357527	569148916	/nfs/dbraw/zinc/14/89/16/569148916.db2.gz	DWJXLAFMIGPCSG-HXUWFJFHSA-N	-1	0	408.458	2.215	50	0		HEAARM
Cn1cc([C@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036358995	569150407	/nfs/dbraw/zinc/15/04/07/569150407.db2.gz	BLYXRFRAYXNUNL-GOSISDBHSA-N	-1	0	409.446	2.005	50	0		HEAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cccnc2)s1	ZINC000006887502	569170792	/nfs/dbraw/zinc/17/07/92/569170792.db2.gz	DNRPUBKSBIXJCI-UHFFFAOYSA-N	-1	0	400.441	2.135	50	0		HEAARM
C[C@H](CC(=O)NCc1ccc2c(c1)OCO2)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000006914248	569179908	/nfs/dbraw/zinc/17/99/08/569179908.db2.gz	PANMHLLJBFGLAT-ZDUSSCGKSA-N	-1	0	415.471	2.470	50	0		HEAARM
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)n1	ZINC000238937466	569228541	/nfs/dbraw/zinc/22/85/41/569228541.db2.gz	VRQIMIRIMAJBSM-HDJSIYSDSA-N	-1	0	417.437	2.065	50	0		HEAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCN1CCN(c3ccccc3)CC1)c2=O	ZINC000016942387	569267990	/nfs/dbraw/zinc/26/79/90/569267990.db2.gz	ZGJCACXIPKJIAO-UHFFFAOYSA-N	-1	0	424.526	2.294	50	0		HEAARM
Cn1c2ccccc2nc1[C@H](Cc1ccccc1)NC(=O)CCc1n[nH]c(=O)[n-]c1=O	ZINC000252492527	569387679	/nfs/dbraw/zinc/38/76/79/569387679.db2.gz	MOMXKDDPWRDNCT-KRWDZBQOSA-N	-1	0	418.457	2.202	50	0		HEAARM
Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)Nc1cccc(S(N)(=O)=O)c1	ZINC000040051311	571145261	/nfs/dbraw/zinc/14/52/61/571145261.db2.gz	SPLLBFMVJSWNTD-UHFFFAOYSA-N	-1	0	418.447	2.024	50	0		HEAARM
CC(C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1	ZINC000040072763	571153500	/nfs/dbraw/zinc/15/35/00/571153500.db2.gz	DJDLTTMNCNYWBV-UHFFFAOYSA-N	-1	0	418.519	2.119	50	0		HEAARM
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000040074745	571154572	/nfs/dbraw/zinc/15/45/72/571154572.db2.gz	ABXLGNFWBSSVML-UKRRQHHQSA-N	-1	0	400.456	2.264	50	0		HEAARM
O=C(c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)N(Cc1ccccc1F)C1CC1	ZINC000069563660	571230022	/nfs/dbraw/zinc/23/00/22/571230022.db2.gz	WMHAWNBJDNAXND-UHFFFAOYSA-N	-1	0	413.434	2.325	50	0		HEAARM
Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)nc1	ZINC000009153245	571231422	/nfs/dbraw/zinc/23/14/22/571231422.db2.gz	ZNWNUMFIRREVJK-UHFFFAOYSA-N	-1	0	414.468	2.444	50	0		HEAARM
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@]3(C2)C(=O)Nc2ccccc23)c(OC)c1	ZINC000009305553	571246554	/nfs/dbraw/zinc/24/65/54/571246554.db2.gz	DKHQHHYRYYFQOD-JOCHJYFZSA-N	-1	0	423.425	2.353	50	0		HEAARM
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009332584	571248704	/nfs/dbraw/zinc/24/87/04/571248704.db2.gz	XDWSCOYZQNIZKJ-OALUTQOASA-N	-1	0	423.469	2.089	50	0	biogenic	HEAARM
O=C(NC(=S)N[N-]S(=O)(=O)c1ccc(Br)cc1)C1CCCCC1	ZINC000009372976	571252577	/nfs/dbraw/zinc/25/25/77/571252577.db2.gz	CTMJNNNBGXEBFB-UHFFFAOYSA-N	-1	0	420.354	2.213	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(F)cc1F	ZINC000009675225	571278875	/nfs/dbraw/zinc/27/88/75/571278875.db2.gz	JKJGGBJUVMZTIU-JKSUJKDBSA-N	-1	0	421.310	2.175	50	0		HEAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)NCc1ccccn1	ZINC000009817776	571286235	/nfs/dbraw/zinc/28/62/35/571286235.db2.gz	DCTDRFPXCYRPEX-UHFFFAOYSA-N	-1	0	406.464	2.337	50	0		HEAARM
CSCC[C@@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)C(=O)[O-]	ZINC000071334630	571292878	/nfs/dbraw/zinc/29/28/78/571292878.db2.gz	SSMMAFZXIDMHON-GOSISDBHSA-N	-1	0	411.483	2.386	50	0		HEAARM
O=C([O-])[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1	ZINC000003866373	939030633	/nfs/dbraw/zinc/03/06/33/939030633.db2.gz	BJDSFHNZLPENFW-GOSISDBHSA-N	-1	0	402.472	2.417	50	0		HEAARM
COc1ccc([C@@H]2C/C(=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)NN2)cc1	ZINC000009318329	132338466	/nfs/dbraw/zinc/33/84/66/132338466.db2.gz	RJOQYTJEKMNMNX-MWWIPNPYSA-N	-1	0	412.833	2.425	50	0		HEAARM
COc1cc(OC)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1	ZINC000001096787	522888178	/nfs/dbraw/zinc/88/81/78/522888178.db2.gz	VMROZYDRAGOKFI-UHFFFAOYSA-N	-1	0	406.342	2.023	50	0		HEAARM
Cc1ccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cc1S(N)(=O)=O	ZINC000032895518	525308111	/nfs/dbraw/zinc/30/81/11/525308111.db2.gz	HWVXIQPODXPTAJ-UHFFFAOYSA-N	-1	0	410.395	2.342	50	0		HEAARM
O=C(CSc1ccc(F)cc1F)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000042268004	527035036	/nfs/dbraw/zinc/03/50/36/527035036.db2.gz	IYMXYKWMXYKGFH-UHFFFAOYSA-N	-1	0	401.412	2.333	50	0		HEAARM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3F)cc2)C1	ZINC000032081565	527658077	/nfs/dbraw/zinc/65/80/77/527658077.db2.gz	PZNJRFCSXWKAPH-SECBINFHSA-N	-1	0	414.361	2.342	50	0		HEAARM
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CSCc2ccccc2)C(=O)[O-])cc1	ZINC000000629823	557025629	/nfs/dbraw/zinc/02/56/29/557025629.db2.gz	RLZSYHXKILFHEH-QGZVFWFLSA-N	-1	0	408.501	2.310	50	0		HEAARM
O=S(=O)([N-]c1ncccn1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	ZINC000000917288	557117788	/nfs/dbraw/zinc/11/77/88/557117788.db2.gz	SIHXBWYKQIJYKE-UHFFFAOYSA-N	-1	0	408.436	2.217	50	0		HEAARM
O=C(CC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)COCO2	ZINC000001044654	557155534	/nfs/dbraw/zinc/15/55/34/557155534.db2.gz	PTBUGUXRRPKHNB-INIZCTEOSA-N	-1	0	410.382	2.021	50	0		HEAARM
Cc1ccc(S(=O)(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000002390938	557343763	/nfs/dbraw/zinc/34/37/63/557343763.db2.gz	HSTSERPPSSLPFN-HNNXBMFYSA-N	-1	0	400.497	2.422	50	0		HEAARM
CC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000002783450	557387355	/nfs/dbraw/zinc/38/73/55/557387355.db2.gz	UOQDDJOQEXQNPV-RTBURBONSA-N	-1	0	405.414	2.130	50	0		HEAARM
CCOC(=O)[C@H]1CCCN(C(=O)CCc2nnc(-c3cccc(F)c3)[n-]c2=O)C1	ZINC000034768567	557463275	/nfs/dbraw/zinc/46/32/75/557463275.db2.gz	XEBUIWQHIUSZNM-AWEZNQCLSA-N	-1	0	402.426	2.118	50	0		HEAARM
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1ncccc1C(=O)[O-]	ZINC000003886187	557502853	/nfs/dbraw/zinc/50/28/53/557502853.db2.gz	IGPQGVJSIXBSEO-UHFFFAOYSA-N	-1	0	409.489	2.069	50	0		HEAARM
Cc1ccccc1N1C(=O)C[C@@H](N(CCc2ccccc2)C(=O)C=CC(=O)[O-])C1=O	ZINC000004652517	557576128	/nfs/dbraw/zinc/57/61/28/557576128.db2.gz	DZXISOKREVUKBD-TZZQJPOUSA-N	-1	0	406.438	2.339	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000004996064	557622702	/nfs/dbraw/zinc/62/27/02/557622702.db2.gz	OUDGQSGPULAIOQ-PKOBYXMFSA-N	-1	0	407.426	2.301	50	0		HEAARM
CC(C)[C@@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000005005377	557624513	/nfs/dbraw/zinc/62/45/13/557624513.db2.gz	WTDFSYBNEFJMNA-OUQXZNHLSA-N	-1	0	410.426	2.412	50	0		HEAARM
CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccccc2OCC(=O)[O-])NC(=S)N1	ZINC000005027740	557627425	/nfs/dbraw/zinc/62/74/25/557627425.db2.gz	ULPPGPGTIRXPOJ-LJQANCHMSA-N	-1	0	411.483	2.259	50	0		HEAARM
CSCC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000005235475	557640838	/nfs/dbraw/zinc/64/08/38/557640838.db2.gz	GGTNEIBZBJFSHM-MRXNPFEDSA-N	-1	0	405.472	2.373	50	0		HEAARM
Nc1nc(SCC(=O)NC2CCCCC2)[n-]c(=O)c1NC(=O)c1cccs1	ZINC000002712461	557746054	/nfs/dbraw/zinc/74/60/54/557746054.db2.gz	HELZHLYMYXJQNF-UHFFFAOYSA-N	-1	0	407.521	2.207	50	0		HEAARM
C[C@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000012383384	558393790	/nfs/dbraw/zinc/39/37/90/558393790.db2.gz	TXWJXHXFELLWIN-NSHDSACASA-N	-1	0	423.318	2.327	50	0		HEAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000022021560	558458365	/nfs/dbraw/zinc/45/83/65/558458365.db2.gz	UIECGJNBLRBCRF-LBPRGKRZSA-N	-1	0	424.500	2.244	50	0		HEAARM
COc1ccc(OC)c(C2=NN(C(=O)CCC(=O)[O-])[C@@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000013626255	558551231	/nfs/dbraw/zinc/55/12/31/558551231.db2.gz	QEBXVPKENSJLIU-JOCHJYFZSA-N	-1	0	423.425	2.353	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@H](C(=O)[O-])C1	ZINC000004465853	558593588	/nfs/dbraw/zinc/59/35/88/558593588.db2.gz	BDWYFOSDRCJQGA-ZWKOTPCHSA-N	-1	0	424.494	2.106	50	0		HEAARM
O=C(NCCCN1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000025330087	558638499	/nfs/dbraw/zinc/63/84/99/558638499.db2.gz	VZGSUYWNKVKWOY-UHFFFAOYSA-N	-1	0	421.494	2.079	50	0		HEAARM
COc1ccc(OCCn2c3ccccc3n3c2nnc(CCC(=O)[O-])c3=O)cc1	ZINC000015085004	558720182	/nfs/dbraw/zinc/72/01/82/558720182.db2.gz	OJBHVMUPYXJLKZ-UHFFFAOYSA-N	-1	0	408.414	2.149	50	0		HEAARM
COc1c(N2CCN(C(C)=O)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000030819403	558738890	/nfs/dbraw/zinc/73/88/90/558738890.db2.gz	CBEJXCSPOSIEGW-NSHDSACASA-N	-1	0	417.437	2.239	50	0		HEAARM
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)n1	ZINC000049550452	558850143	/nfs/dbraw/zinc/85/01/43/558850143.db2.gz	JEJZJPSKSGJMMO-HXUWFJFHSA-N	-1	0	411.389	2.000	50	0		HEAARM
CC(C)NC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1	ZINC000033078764	558868107	/nfs/dbraw/zinc/86/81/07/558868107.db2.gz	RRJFVXZKEXUYLC-UHFFFAOYSA-N	-1	0	424.501	2.284	50	0		HEAARM
CCn1cc(S(=O)(=O)[N-]c2ccc3nc(S(=O)(=O)CC)sc3c2)cn1	ZINC000033298929	559048128	/nfs/dbraw/zinc/04/81/28/559048128.db2.gz	FUAMHFRJLDJFAK-UHFFFAOYSA-N	-1	0	400.507	2.107	50	0		HEAARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100208421	559177558	/nfs/dbraw/zinc/17/75/58/559177558.db2.gz	BVYZWNAJSRGEHM-LSDHHAIUSA-N	-1	0	401.781	2.040	50	0		HEAARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100208425	559177566	/nfs/dbraw/zinc/17/75/66/559177566.db2.gz	BVYZWNAJSRGEHM-GJZGRUSLSA-N	-1	0	401.781	2.040	50	0		HEAARM
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)nc2ccccn2c1[O-]	ZINC000205946188	559177721	/nfs/dbraw/zinc/17/77/21/559177721.db2.gz	ATBAGUATCPSCAJ-CYBMUJFWSA-N	-1	0	414.414	2.121	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccccc1F	ZINC000004992477	559224992	/nfs/dbraw/zinc/22/49/92/559224992.db2.gz	APKCQLUOHNWCRU-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000005075820	559241028	/nfs/dbraw/zinc/24/10/28/559241028.db2.gz	CYNNOMISGYHFJB-UHFFFAOYSA-N	-1	0	400.453	2.175	50	0		HEAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NC45CC6CC(CC(C6)C4)C5)c=3c2=O)cc1	ZINC000018162423	560780701	/nfs/dbraw/zinc/78/07/01/560780701.db2.gz	SQICYISCEOMYRG-ZJJNMPENSA-N	-1	0	421.501	2.373	50	0		HEAARM
CCc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2	ZINC000101169087	560787621	/nfs/dbraw/zinc/78/76/21/560787621.db2.gz	MRFKEYXVYQGCCO-MSOLQXFVSA-N	-1	0	413.384	2.459	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cc(F)ccc1F	ZINC000101174308	560787967	/nfs/dbraw/zinc/78/79/67/560787967.db2.gz	GBJJQEJONKDELP-JKSUJKDBSA-N	-1	0	403.320	2.036	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1	ZINC000101387133	560793924	/nfs/dbraw/zinc/79/39/24/560793924.db2.gz	VFVUSHZNFRDCSW-IRXDYDNUSA-N	-1	0	413.821	2.281	50	0		HEAARM
COC(=O)CNC(=O)Cc1c(C)[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c1=O	ZINC000101831384	560802914	/nfs/dbraw/zinc/80/29/14/560802914.db2.gz	YRSNMNSNFNEZCV-UHFFFAOYSA-N	-1	0	400.460	2.150	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(F)ccc4F)c=3c2=O)cc1	ZINC000102906792	560835115	/nfs/dbraw/zinc/83/51/15/560835115.db2.gz	ZAGFGZFJBZAPOY-MSOLQXFVSA-N	-1	0	413.384	2.459	50	0		HEAARM
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OCC)c(OCC(=O)[O-])cc1Cl	ZINC000000804367	568486586	/nfs/dbraw/zinc/48/65/86/568486586.db2.gz	PWSLLOXPEXOHOI-MRXNPFEDSA-N	-1	0	412.826	2.393	50	0		HEAARM
CCOc1cc(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)ccc1OCC(=O)[O-]	ZINC000095424391	568607475	/nfs/dbraw/zinc/60/74/75/568607475.db2.gz	OBQGCFAKEUSJCY-UHFFFAOYSA-N	-1	0	422.441	2.463	50	0		HEAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1	ZINC000020921835	568651065	/nfs/dbraw/zinc/65/10/65/568651065.db2.gz	QEDAAHQWESINRL-UHFFFAOYSA-N	-1	0	407.473	2.350	50	0		HEAARM
CCN(CC)S(=O)(=O)c1cc(C(=O)NCCCCCC(=O)[O-])ccc1OC	ZINC000095955693	568669325	/nfs/dbraw/zinc/66/93/25/568669325.db2.gz	SBPDOLYSBQBEAY-UHFFFAOYSA-N	-1	0	400.497	2.101	50	0		HEAARM
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@](C)(CC)CC(=O)[O-])ccc1OC	ZINC000095970266	568671299	/nfs/dbraw/zinc/67/12/99/568671299.db2.gz	WVGAMAUSBVAWME-GOSISDBHSA-N	-1	0	400.497	2.099	50	0		HEAARM
CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnc(Cl)c2)c(OC)c1	ZINC000095994100	568678325	/nfs/dbraw/zinc/67/83/25/568678325.db2.gz	DBXCJYIFFRIJMV-UHFFFAOYSA-N	-1	0	405.885	2.306	50	0		HEAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000096286301	568719299	/nfs/dbraw/zinc/71/92/99/568719299.db2.gz	DWUSSCJDRQGPEF-IRXDYDNUSA-N	-1	0	413.821	2.281	50	0		HEAARM
O=C(NCc1ccc2c(c1)OCO2)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000096361293	568739322	/nfs/dbraw/zinc/73/93/22/568739322.db2.gz	YWGHKXOBAANNSK-UHFFFAOYSA-N	-1	0	418.406	2.008	50	0		HEAARM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C)CC2)cc1OC	ZINC000022458857	568768049	/nfs/dbraw/zinc/76/80/49/568768049.db2.gz	LOLUNQRCYQWQHN-INIZCTEOSA-N	-1	0	403.508	2.159	50	0		HEAARM
CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578203	568770342	/nfs/dbraw/zinc/77/03/42/568770342.db2.gz	PZKATGRBAPRZFH-INIZCTEOSA-N	-1	0	421.954	2.412	50	0		HEAARM
CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578216	568770352	/nfs/dbraw/zinc/77/03/52/568770352.db2.gz	JWQXQCLIWPVPOW-MRXNPFEDSA-N	-1	0	421.954	2.412	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(O[C@@H]3CCSC3)nc2)cc1	ZINC000225713842	568779810	/nfs/dbraw/zinc/77/98/10/568779810.db2.gz	HUBUJIPYUZLJJH-OAHLLOKOSA-N	-1	0	421.500	2.043	50	0		HEAARM
C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)C[C@H](C)O1	ZINC000215689373	568790441	/nfs/dbraw/zinc/79/04/41/568790441.db2.gz	ULDGZRYIPQYXLY-UHIISALHSA-N	-1	0	408.501	2.144	50	0		HEAARM
COCCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2[n-]c1=S	ZINC000002969760	568831414	/nfs/dbraw/zinc/83/14/14/568831414.db2.gz	QAEWJEOAMUNOTI-UHFFFAOYSA-N	-1	0	413.455	2.364	50	0		HEAARM
COc1ccc2c(cc(C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)n2C)c1	ZINC000004000442	568932405	/nfs/dbraw/zinc/93/24/05/568932405.db2.gz	KGGMUKPCMBFYJH-WMZOPIPTSA-N	-1	0	401.463	2.017	50	0	biogenic	HEAARM
CN(C(=O)CSc1nc(N)c(NC(=O)c2ccccc2)c(=O)[n-]1)c1ccccc1	ZINC000004248881	568953918	/nfs/dbraw/zinc/95/39/18/568953918.db2.gz	SCWPMQUKTHBQSQ-UHFFFAOYSA-N	-1	0	409.471	2.360	50	0		HEAARM
C[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1cccc(Br)c1)C(=O)[O-]	ZINC000038205168	568978925	/nfs/dbraw/zinc/97/89/25/568978925.db2.gz	FALTYPKSKKRQLF-GMROUXNLSA-N	-1	0	407.220	2.402	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[C@@H](C(=O)[O-])C1	ZINC000006198807	569031491	/nfs/dbraw/zinc/03/14/91/569031491.db2.gz	BDWYFOSDRCJQGA-ROUUACIJSA-N	-1	0	424.494	2.106	50	0		HEAARM
CCCCNC(=O)CN1CCN(c2ccc(NC(=O)C3CCC3)c(C(=O)[O-])c2)CC1	ZINC000064590387	569069190	/nfs/dbraw/zinc/06/91/90/569069190.db2.gz	UKJPXBOLAUPVRL-UHFFFAOYSA-N	-1	0	416.522	2.162	50	0		HEAARM
NS(=O)(=O)c1ccc(NC(=O)c2c([O-])c3c4c(sc3[nH]c2=O)CCCC4)cc1	ZINC000065150377	569184854	/nfs/dbraw/zinc/18/48/54/569184854.db2.gz	MVQJFYRZMPKNIV-UHFFFAOYSA-N	-1	0	419.484	2.074	50	0		HEAARM
COc1cc(-c2cc3n(n2)c(=O)c(CCC(=O)[O-])c(C)n3C)cc(OC)c1OC	ZINC000008595579	569185069	/nfs/dbraw/zinc/18/50/69/569185069.db2.gz	OHHWRCHEOIBOCB-UHFFFAOYSA-N	-1	0	401.419	2.051	50	0		HEAARM
O=C([O-])c1cccc(Cn2c(=O)sc(C=NNC(=O)c3ccncc3)c2Cl)c1	ZINC000254492166	569254826	/nfs/dbraw/zinc/25/48/26/569254826.db2.gz	DWTWJHITMQZRLY-UHFFFAOYSA-N	-1	0	416.846	2.469	50	0		HEAARM
Cc1cnn(-c2ccc(S(N)(=O)=O)cc2[N-]S(=O)(=O)c2ccc(C)c(C)c2)c1	ZINC000089643287	569261739	/nfs/dbraw/zinc/26/17/39/569261739.db2.gz	LSXUSUGDZNLOHC-UHFFFAOYSA-N	-1	0	420.516	2.246	50	0		HEAARM
Cc1nc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C)cn1C	ZINC000089709022	569263015	/nfs/dbraw/zinc/26/30/15/569263015.db2.gz	OOQJTMSOGPVBRS-QPUJVOFHSA-N	-1	0	419.385	2.200	50	0		HEAARM
C[C@H](CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)[S@@](C)=O	ZINC000089895522	569267942	/nfs/dbraw/zinc/26/79/42/569267942.db2.gz	CVRDEDCDLDKTJX-YYUOZPCZSA-N	-1	0	400.547	2.436	50	0		HEAARM
CSCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000002099568	569281273	/nfs/dbraw/zinc/28/12/73/569281273.db2.gz	GGTNEIBZBJFSHM-INIZCTEOSA-N	-1	0	405.472	2.373	50	0	biogenic	HEAARM
CCOC(=O)NC([N-]c1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F	ZINC000002275196	569327715	/nfs/dbraw/zinc/32/77/15/569327715.db2.gz	QKEOHIUEZWPVAX-UHFFFAOYSA-N	-1	0	409.308	2.313	50	0		HEAARM
O=S(=O)(c1cc(C(F)(F)F)ccc1[O-])N1CCN(Cc2ccccn2)CC1	ZINC000253431782	569369748	/nfs/dbraw/zinc/36/97/48/569369748.db2.gz	XLQUSEQGEYZXMN-UHFFFAOYSA-N	-1	0	401.410	2.313	50	0		HEAARM
CCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1C	ZINC000013365676	569412249	/nfs/dbraw/zinc/41/22/49/569412249.db2.gz	KYASXAIUKNDVMQ-UHFFFAOYSA-N	-1	0	411.285	2.355	50	0		HEAARM
O=C(Cc1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1)N1CCOCC1	ZINC000038709638	571068144	/nfs/dbraw/zinc/06/81/44/571068144.db2.gz	LUPYHMBFWXRZSC-UHFFFAOYSA-N	-1	0	411.483	2.437	50	0		HEAARM
COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(N)=O)cnn32)cc1OC	ZINC000009409632	571255763	/nfs/dbraw/zinc/25/57/63/571255763.db2.gz	QISJCBNONXMMBR-CQSZACIVSA-N	-1	0	424.413	2.080	50	0		HEAARM
CN(Cc1ccc(OC(F)F)cc1)C(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O	ZINC000009508821	571263921	/nfs/dbraw/zinc/26/39/21/571263921.db2.gz	HHQWQTXMCODRAA-UHFFFAOYSA-N	-1	0	417.368	2.355	50	0		HEAARM
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N1CCN(c2ncccn2)CC1	ZINC000009340976	132338810	/nfs/dbraw/zinc/33/88/10/132338810.db2.gz	RQQVGIVGRYZOTE-UHFFFAOYSA-N	-1	0	414.849	2.142	50	0		HEAARM
CC(=O)c1ccc(N2CCN(c3ccc(NS(C)(=O)=O)cc3C(=O)[O-])CC2)cc1	ZINC000032961578	518353908	/nfs/dbraw/zinc/35/39/08/518353908.db2.gz	WKOQLLYWCCMRAX-UHFFFAOYSA-N	-1	0	417.487	2.286	50	0		HEAARM
Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCC(=O)NCC(=O)[O-]	ZINC000040283322	526559832	/nfs/dbraw/zinc/55/98/32/526559832.db2.gz	YVWBLAKCDBUWLD-UHFFFAOYSA-N	-1	0	402.259	2.356	50	0		HEAARM
Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)no1	ZINC000032926293	526609599	/nfs/dbraw/zinc/60/95/99/526609599.db2.gz	RVDLSZCZPRKZQK-UHFFFAOYSA-N	-1	0	422.488	2.096	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1	ZINC000001181180	557230948	/nfs/dbraw/zinc/23/09/48/557230948.db2.gz	UEIHELAATTZHIQ-UHFFFAOYSA-N	-1	0	411.277	2.455	50	0		HEAARM
Cc1c(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000001214358	557245142	/nfs/dbraw/zinc/24/51/42/557245142.db2.gz	SVJKBWYSOVIGKV-UHFFFAOYSA-N	-1	0	405.863	2.257	50	0		HEAARM
COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)C=CC(=O)[O-])C2=O)cc1	ZINC000001995038	557298840	/nfs/dbraw/zinc/29/88/40/557298840.db2.gz	LTKZBUONMLKFLN-CVTTXWKISA-N	-1	0	422.437	2.039	50	0		HEAARM
C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(Br)c1)C(=O)[O-]	ZINC000002117314	557315692	/nfs/dbraw/zinc/31/56/92/557315692.db2.gz	FALTYPKSKKRQLF-AHEVQNHNSA-N	-1	0	407.220	2.402	50	0		HEAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)OC[C@@H]2CN(Cc3ccccc3)CCO2)cc1	ZINC000004334860	557543326	/nfs/dbraw/zinc/54/33/26/557543326.db2.gz	OWIADZOKVAYOGG-SFHVURJKSA-N	-1	0	404.488	2.311	50	0		HEAARM
CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc([C@@H]3CNC(=O)C3)cc1)OCO2	ZINC000004727366	557587493	/nfs/dbraw/zinc/58/74/93/557587493.db2.gz	IVCVYOUFDSPGHI-ZDUSSCGKSA-N	-1	0	402.428	2.022	50	0		HEAARM
CCOCCCNS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1	ZINC000004740487	557590502	/nfs/dbraw/zinc/59/05/02/557590502.db2.gz	RSJCEVOMSYBXOH-UHFFFAOYSA-N	-1	0	412.533	2.333	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2cccs2)cc(C)c1OCC(=O)N1CCOCC1	ZINC000004772617	557596663	/nfs/dbraw/zinc/59/66/63/557596663.db2.gz	RCBZBXMAAFKPKT-UHFFFAOYSA-N	-1	0	410.517	2.403	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000004996065	557622774	/nfs/dbraw/zinc/62/27/74/557622774.db2.gz	OUDGQSGPULAIOQ-HKUYNNGSSA-N	-1	0	407.426	2.301	50	0		HEAARM
Cc1cc(Cl)c(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1OCC(N)=O	ZINC000005013891	557625464	/nfs/dbraw/zinc/62/54/64/557625464.db2.gz	RGYBBGIVDBIKAQ-UHFFFAOYSA-N	-1	0	412.851	2.036	50	0		HEAARM
CNS(=O)(=O)c1cc(Br)ccc1[S@@](=O)c1ccccc1C(=O)[O-]	ZINC000006161593	557692132	/nfs/dbraw/zinc/69/21/32/557692132.db2.gz	RKQQOWLIGPREBW-JOCHJYFZSA-N	-1	0	418.290	2.222	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000002782699	557758761	/nfs/dbraw/zinc/75/87/61/557758761.db2.gz	CMKVAKQBVKWPIB-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccco2)C1	ZINC000009060557	557821209	/nfs/dbraw/zinc/82/12/09/557821209.db2.gz	PIHLUDXCLREFLL-HNNXBMFYSA-N	-1	0	405.432	2.194	50	0		HEAARM
O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br	ZINC000011851834	558289636	/nfs/dbraw/zinc/28/96/36/558289636.db2.gz	VACHCVAPPILYEF-VIFPVBQESA-N	-1	0	413.087	2.449	50	0		HEAARM
COc1ccc(CN(Cc2ccco2)c2cnc(S(C)(=O)=O)nc2C(=O)[O-])cc1	ZINC000012062666	558317462	/nfs/dbraw/zinc/31/74/62/558317462.db2.gz	GQGDREVQOPGFJA-UHFFFAOYSA-N	-1	0	417.443	2.387	50	0		HEAARM
CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc3c(c1)NC(=O)[C@@H](C)O3)OCO2	ZINC000012417114	558402297	/nfs/dbraw/zinc/40/22/97/558402297.db2.gz	BPOXLMQNKZVNII-SNVBAGLBSA-N	-1	0	404.400	2.138	50	0		HEAARM
COc1ccc(NC(=O)[C@@H](C)NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000022699931	558505429	/nfs/dbraw/zinc/50/54/29/558505429.db2.gz	LXUWCVPPYXXGEP-LLVKDONJSA-N	-1	0	409.439	2.098	50	0		HEAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1C1CCCC1	ZINC000013406827	558531669	/nfs/dbraw/zinc/53/16/69/558531669.db2.gz	PIMDCYWTOVJMAH-MRXNPFEDSA-N	-1	0	414.491	2.174	50	0		HEAARM
O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3cc(Br)ccc3OC(=O)[C@H]12	ZINC000013639099	558555263	/nfs/dbraw/zinc/55/52/63/558555263.db2.gz	YADKFDAQGLEUEA-KHQFGBGNSA-N	-1	0	414.258	2.425	50	0		HEAARM
C[C@@H](CO)NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1	ZINC000013684539	558568695	/nfs/dbraw/zinc/56/86/95/558568695.db2.gz	KAMGZDZIJXIQIK-JTQLQIEISA-N	-1	0	409.464	2.347	50	0		HEAARM
O=C(NCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1	ZINC000024358709	558595928	/nfs/dbraw/zinc/59/59/28/558595928.db2.gz	RPVTVDBLMRHVKP-HNNXBMFYSA-N	-1	0	409.895	2.122	50	0		HEAARM
COc1ccc(C=C2NC(=O)N(Cc3c([O-])c4ccccc4oc3=O)C2=O)cc1OC	ZINC000025584739	558644936	/nfs/dbraw/zinc/64/49/36/558644936.db2.gz	KGAJUPPASPKDRI-WJQTUHTMSA-N	-1	0	422.393	2.015	50	0		HEAARM
Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)NCc1ccc(-n2cncn2)nc1	ZINC000070037569	558702734	/nfs/dbraw/zinc/70/27/34/558702734.db2.gz	ICUALTJPEVERKR-UHFFFAOYSA-N	-1	0	421.433	2.030	50	0		HEAARM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)cc2O)ccc1O	ZINC000072301036	558750917	/nfs/dbraw/zinc/75/09/17/558750917.db2.gz	KQMPGZGIBORDAI-UHFFFAOYSA-N	-1	0	402.222	2.448	50	0		HEAARM
O=C(Nc1cccc(S(=O)(=O)[N-]c2cn[nH]c2)c1)c1cn(-c2ccccc2)nn1	ZINC000072311376	558783491	/nfs/dbraw/zinc/78/34/91/558783491.db2.gz	MPFQIQINRXMLTQ-UHFFFAOYSA-N	-1	0	409.431	2.044	50	0		HEAARM
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C	ZINC000118924262	558842997	/nfs/dbraw/zinc/84/29/97/558842997.db2.gz	COCMFMBNEAMQMA-NQTCFNIESA-N	-1	0	424.578	2.420	50	0		HEAARM
CCOCCn1c(=O)n(Cc2cc(-c3ccccn3)no2)c2cc(C(=O)[O-])cnc21	ZINC000055271513	558878136	/nfs/dbraw/zinc/87/81/36/558878136.db2.gz	JTRNELQJVZTLMI-UHFFFAOYSA-N	-1	0	409.402	2.031	50	0		HEAARM
COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccncc2)CC4)cc1	ZINC000097942095	558947909	/nfs/dbraw/zinc/94/79/09/558947909.db2.gz	UDHGKEIHESTOGO-UHFFFAOYSA-N	-1	0	401.426	2.292	50	0		HEAARM
COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2ccccn2)CC4)cc1	ZINC000097942104	558947962	/nfs/dbraw/zinc/94/79/62/558947962.db2.gz	PYKXMODHWPCVIE-UHFFFAOYSA-N	-1	0	401.426	2.292	50	0		HEAARM
COc1ccc(F)cc1C(=O)N1CCC2(C[C@@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1	ZINC000072432527	558979452	/nfs/dbraw/zinc/97/94/52/558979452.db2.gz	QRMVGADTWYRSCC-INIZCTEOSA-N	-1	0	404.438	2.152	50	0		HEAARM
CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N1CCC(=O)c2ccccc21	ZINC000097101378	558994125	/nfs/dbraw/zinc/99/41/25/558994125.db2.gz	YJMVRAOPRFSGKY-UHFFFAOYSA-N	-1	0	424.500	2.239	50	0		HEAARM
CCOC(=O)c1cnc(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nc1N	ZINC000004746690	559045308	/nfs/dbraw/zinc/04/53/08/559045308.db2.gz	PEMARKXMPCXFOE-UHFFFAOYSA-N	-1	0	410.839	2.318	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1	ZINC000100033085	559128818	/nfs/dbraw/zinc/12/88/18/559128818.db2.gz	BNZBTXCECMTAIU-QZTJIDSGSA-N	-1	0	411.393	2.156	50	0		HEAARM
O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccc2c(c1)OCO2	ZINC000004853649	559192042	/nfs/dbraw/zinc/19/20/42/559192042.db2.gz	PPOZGIRHBSWCPF-UHFFFAOYSA-N	-1	0	409.420	2.397	50	0		HEAARM
Cc1cccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)[O-])c1	ZINC000004936472	559210150	/nfs/dbraw/zinc/21/01/50/559210150.db2.gz	ZYRIVONMYRMFMF-UHFFFAOYSA-N	-1	0	416.499	2.270	50	0		HEAARM
CCc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)cc1	ZINC000004959687	559216909	/nfs/dbraw/zinc/21/69/09/559216909.db2.gz	YNVIKOUICGKNSB-UHFFFAOYSA-N	-1	0	413.459	2.491	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cccc(Cl)c1	ZINC000004969734	559219470	/nfs/dbraw/zinc/21/94/70/559219470.db2.gz	IHZJRGWYGHJROO-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1	ZINC000004992485	559224977	/nfs/dbraw/zinc/22/49/77/559224977.db2.gz	BWHGNSYALJOVLF-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1	ZINC000004992509	559225294	/nfs/dbraw/zinc/22/52/94/559225294.db2.gz	SXYCKERZUGOHDE-IAGOWNOFSA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cc(C)ccc1C	ZINC000011858370	559263169	/nfs/dbraw/zinc/26/31/69/559263169.db2.gz	BIBIVJMLYDVPSR-UHFFFAOYSA-N	-1	0	424.500	2.179	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000005342378	560567864	/nfs/dbraw/zinc/56/78/64/560567864.db2.gz	XPFJVRRUJNMMRX-RMYJWEKJSA-N	-1	0	400.479	2.213	50	0		HEAARM
Cc1ccc(S(=O)(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000003167795	560588538	/nfs/dbraw/zinc/58/85/38/560588538.db2.gz	HSTSERPPSSLPFN-OAHLLOKOSA-N	-1	0	400.497	2.422	50	0		HEAARM
Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2N(C)C)cc1C	ZINC000206734712	560740405	/nfs/dbraw/zinc/74/04/05/560740405.db2.gz	XMUJCUDSGJKWPX-UHFFFAOYSA-N	-1	0	405.524	2.105	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccccc1Cl	ZINC000103085978	560837686	/nfs/dbraw/zinc/83/76/86/560837686.db2.gz	GWNWEJPOMYQWGR-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCSCC3)cs2)cc1	ZINC000012324136	568471631	/nfs/dbraw/zinc/47/16/31/568471631.db2.gz	PMJVLHCKAPDDLF-UHFFFAOYSA-N	-1	0	413.546	2.070	50	0		HEAARM
Cc1cccc(N2CCC(NC(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1	ZINC000222330858	568514835	/nfs/dbraw/zinc/51/48/35/568514835.db2.gz	OKEKQWNVWLIDJV-JOCHJYFZSA-N	-1	0	401.507	2.374	50	0		HEAARM
CN1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(CCc2ccccc2)c3=O)CC1	ZINC000020102282	568587922	/nfs/dbraw/zinc/58/79/22/568587922.db2.gz	YTMYYYULNYXGIE-UHFFFAOYSA-N	-1	0	408.527	2.316	50	0		HEAARM
O=C([O-])c1ccc(CCC(=O)N2CCC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1	ZINC000095424361	568607489	/nfs/dbraw/zinc/60/74/89/568607489.db2.gz	BTPBUNFRSQTDJI-SFHVURJKSA-N	-1	0	416.499	2.287	50	0		HEAARM
C[C@H]1Oc2ccccc2N(CCC(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2F)C1=O	ZINC000095464020	568622270	/nfs/dbraw/zinc/62/22/70/568622270.db2.gz	WKRRIVBBSNHCNY-ZMZPIMSZSA-N	-1	0	404.369	2.411	50	0		HEAARM
COc1ccccc1C[C@H](CNC(=O)[C@H]1CCCN1C(=O)c1cccs1)C(=O)[O-]	ZINC000095464094	568622316	/nfs/dbraw/zinc/62/23/16/568622316.db2.gz	ONJZOCPWDUXEDY-HZPDHXFCSA-N	-1	0	416.499	2.421	50	0		HEAARM
COc1ccc2c(C)c(CC(=O)Nc3nc(CC(=O)[O-])cs3)c(=O)oc2c1OC	ZINC000012389953	568693720	/nfs/dbraw/zinc/69/37/20/568693720.db2.gz	JBXFYHRBMAGWHK-UHFFFAOYSA-N	-1	0	418.427	2.383	50	0		HEAARM
Cc1cccc(N2CCN(C(=O)c3snc4c3nc([O-])n(C3CC3)c4=O)CC2)c1	ZINC000096396714	568745261	/nfs/dbraw/zinc/74/52/61/568745261.db2.gz	ZKWGNXZGNLFDLX-UHFFFAOYSA-N	-1	0	411.487	2.164	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000021778200	568752464	/nfs/dbraw/zinc/75/24/64/568752464.db2.gz	PYUKAKKPFJUNRD-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1cc(-c2ccc(Cl)cc2)ncc1=O	ZINC000334162674	568763835	/nfs/dbraw/zinc/76/38/35/568763835.db2.gz	WSNYBRJMCQTICR-KRWDZBQOSA-N	-1	0	411.845	2.376	50	0		HEAARM
Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ncn(Cc2ccc(F)cc2)n1	ZINC000002803964	568811439	/nfs/dbraw/zinc/81/14/39/568811439.db2.gz	SKHJLJHBEYJPOM-UHFFFAOYSA-N	-1	0	400.386	2.475	50	0		HEAARM
CCOC(=O)c1ccc(N2[N-]C(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)C2=O)cc1	ZINC000001191564	568822794	/nfs/dbraw/zinc/82/27/94/568822794.db2.gz	FPBHMNASAWYCEJ-OQLLNIDSSA-N	-1	0	412.398	2.048	50	0		HEAARM
CCOCCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000057476431	568839550	/nfs/dbraw/zinc/83/95/50/568839550.db2.gz	XQELZROZVWKOOV-UHFFFAOYSA-N	-1	0	407.444	2.452	50	0		HEAARM
Cc1cc(C)nc(N=C2NC(=O)C[C@H](C(=O)[O-])N2CCc2c[nH]c3ccccc23)n1	ZINC000001311572	568913889	/nfs/dbraw/zinc/91/38/89/568913889.db2.gz	HETGDFGOWMPMCK-QGZVFWFLSA-N	-1	0	406.446	2.271	50	0	biogenic	HEAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000218336517	568929412	/nfs/dbraw/zinc/92/94/12/568929412.db2.gz	VCAAKYIVFALGFK-OAHLLOKOSA-N	-1	0	401.371	2.408	50	0		HEAARM
O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)N1CCN(c2ccccc2)CC1	ZINC000004306471	568960653	/nfs/dbraw/zinc/96/06/53/568960653.db2.gz	GNJWRXBZOWOZFJ-UHFFFAOYSA-N	-1	0	416.528	2.239	50	0		HEAARM
CN(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1C(=O)[O-]	ZINC000013440693	569004492	/nfs/dbraw/zinc/00/44/92/569004492.db2.gz	JQLPSLLVIAGKKZ-UHFFFAOYSA-N	-1	0	402.472	2.449	50	0		HEAARM
CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc21	ZINC000015936515	569023536	/nfs/dbraw/zinc/02/35/36/569023536.db2.gz	HCPRYXIZRKSNQG-GUYCJALGSA-N	-1	0	418.471	2.315	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1	ZINC000006729404	569102792	/nfs/dbraw/zinc/10/27/92/569102792.db2.gz	GXYWQZAFFAMHHE-RTBURBONSA-N	-1	0	407.430	2.244	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)cc4)c=3c2=O)cc1	ZINC000006770185	569115972	/nfs/dbraw/zinc/11/59/72/569115972.db2.gz	MYHKIHCHFKDSCS-RTBURBONSA-N	-1	0	407.430	2.190	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc1OC	ZINC000064976656	569139835	/nfs/dbraw/zinc/13/98/35/569139835.db2.gz	KJEDYDGOOPZEDI-UHFFFAOYSA-N	-1	0	411.867	2.348	50	0		HEAARM
CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036353070	569147596	/nfs/dbraw/zinc/14/75/96/569147596.db2.gz	MFNUHOBJGVBTAB-KRWDZBQOSA-N	-1	0	424.295	2.252	50	0		HEAARM
C[NH+]1CCN([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036355087	569148205	/nfs/dbraw/zinc/14/82/05/569148205.db2.gz	GIKDCQGHVYXPTD-KRWDZBQOSA-N	-1	0	424.295	2.252	50	0		HEAARM
CCN(CC)S(=O)(=O)[N-]C(=O)CSc1nnc(-c2cccc(C)c2)n1CC	ZINC000065536010	569234433	/nfs/dbraw/zinc/23/44/33/569234433.db2.gz	YUDCMPQVONVVAG-UHFFFAOYSA-N	-1	0	411.553	2.068	50	0		HEAARM
CC(=O)N1CCc2cc(C(=O)N[C@@H](c3nnn[n-]3)c3ccc(Cl)c(F)c3)ccc21	ZINC000170597621	569242240	/nfs/dbraw/zinc/24/22/40/569242240.db2.gz	FZEGUOUDPHREHP-QGZVFWFLSA-N	-1	0	414.828	2.421	50	0		HEAARM
COc1cc([N-]S(=O)(=O)c2cc(C(=O)N3CCC3)ccc2OC)cc(OC)c1	ZINC000008706643	571103796	/nfs/dbraw/zinc/10/37/96/571103796.db2.gz	SZEVPXLVLLQFJN-UHFFFAOYSA-N	-1	0	406.460	2.359	50	0		HEAARM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)CCCCCN1C(=O)c2ccccc2C1=O	ZINC000008867290	571129273	/nfs/dbraw/zinc/12/92/73/571129273.db2.gz	HAJIDBIINNOEFT-LJQANCHMSA-N	-1	0	424.453	2.361	50	0		HEAARM
C[C@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1ccc(F)cc1Cl	ZINC000009032550	571212761	/nfs/dbraw/zinc/21/27/61/571212761.db2.gz	NHPFHLKFLAXLFV-JTQLQIEISA-N	-1	0	419.796	2.465	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(=O)[nH]c(=O)n([C@@H](C)c2ccccc2)c1[O-]	ZINC000009130097	571227507	/nfs/dbraw/zinc/22/75/07/571227507.db2.gz	LGLPYAVKDHVDSW-GTNSWQLSSA-N	-1	0	424.409	2.129	50	0		HEAARM
COc1ccc(NC(=O)CCCNC(N)=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009285150	571245119	/nfs/dbraw/zinc/24/51/19/571245119.db2.gz	XSWJWDUSLAXFKP-UHFFFAOYSA-N	-1	0	424.454	2.022	50	0		HEAARM
CN(Cc1cccc(Cl)c1)C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2	ZINC000069923077	571249809	/nfs/dbraw/zinc/24/98/09/571249809.db2.gz	WVLYIGBFARGARL-UHFFFAOYSA-N	-1	0	403.851	2.307	50	0		HEAARM
C[C@@H](Sc1nncs1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009664365	571277918	/nfs/dbraw/zinc/27/79/18/571277918.db2.gz	YGHOKRQJLJOXTI-SNVBAGLBSA-N	-1	0	422.517	2.248	50	0		HEAARM
Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1F	ZINC000009675177	571278873	/nfs/dbraw/zinc/27/88/73/571278873.db2.gz	IOYFDTFIIJHGHW-SJORKVTESA-N	-1	0	417.347	2.344	50	0		HEAARM
CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)cc2C1=O	ZINC000009828216	571286782	/nfs/dbraw/zinc/28/67/82/571286782.db2.gz	LFSNDKNCVMGSCK-UHFFFAOYSA-N	-1	0	406.460	2.359	50	0		HEAARM
CN1CCN(C(=O)c2ccc3nc([N-]S(=O)(=O)c4ccccc4)sc3c2)CC1	ZINC000013729151	571305218	/nfs/dbraw/zinc/30/52/18/571305218.db2.gz	UXBXFTOVAHZVIW-UHFFFAOYSA-N	-1	0	416.528	2.485	50	0		HEAARM
COC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)C(OC(C)=O)=S2[O-]	ZINC000004660571	132281089	/nfs/dbraw/zinc/28/10/89/132281089.db2.gz	BFNSVDFANCNQHP-NGOKVRLYSA-N	-1	0	401.440	2.325	50	0		HEAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)CCSC)CC3)cc21	ZINC000009469693	132340289	/nfs/dbraw/zinc/34/02/89/132340289.db2.gz	UHAIWEXDWCXFQY-UHFFFAOYSA-N	-1	0	421.494	2.260	50	0		HEAARM
Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1csc([N-]S(C)(=O)=O)n1	ZINC000032903483	527540801	/nfs/dbraw/zinc/54/08/01/527540801.db2.gz	KHXYINNQEAUWIH-UHFFFAOYSA-N	-1	0	419.532	2.176	50	0		HEAARM
COC(=O)c1ccc(C(=O)OC)c(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000000862250	557104302	/nfs/dbraw/zinc/10/43/02/557104302.db2.gz	PEWAQCWSGYLOTP-UHFFFAOYSA-N	-1	0	406.416	2.079	50	0		HEAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)n1	ZINC000000898217	557113684	/nfs/dbraw/zinc/11/36/84/557113684.db2.gz	BFLNKNVVAWTHLS-UHFFFAOYSA-N	-1	0	404.473	2.387	50	0		HEAARM
O=C(CC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)COCO2	ZINC000001044655	557155494	/nfs/dbraw/zinc/15/54/94/557155494.db2.gz	PTBUGUXRRPKHNB-MRXNPFEDSA-N	-1	0	410.382	2.021	50	0		HEAARM
Cc1ccc(S(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-])cc1	ZINC000002560778	557356624	/nfs/dbraw/zinc/35/66/24/557356624.db2.gz	GJXKBGKAUIMAKK-HNNXBMFYSA-N	-1	0	400.497	2.422	50	0		HEAARM
Cc1c(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	ZINC000003263561	557465606	/nfs/dbraw/zinc/46/56/06/557465606.db2.gz	PAWPIXYVRFFICB-UHFFFAOYSA-N	-1	0	401.444	2.292	50	0		HEAARM
Cc1c(N(C)S(=O)(=O)c2cccc(C(=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	ZINC000003326591	557474275	/nfs/dbraw/zinc/47/42/75/557474275.db2.gz	RQPNYKVYJSYGHL-UHFFFAOYSA-N	-1	0	401.444	2.008	50	0		HEAARM
CC(C)[C@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000005005375	557624516	/nfs/dbraw/zinc/62/45/16/557624516.db2.gz	WTDFSYBNEFJMNA-XLCPLWEUSA-N	-1	0	410.426	2.412	50	0		HEAARM
O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)NCc2cccnc2)cc1	ZINC000006208106	557694228	/nfs/dbraw/zinc/69/42/28/557694228.db2.gz	MXTRFALMUWCHQO-UHFFFAOYSA-N	-1	0	400.489	2.159	50	0		HEAARM
COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccc(C)cc3C)c1=O)NCC2	ZINC000020533247	558384127	/nfs/dbraw/zinc/38/41/27/558384127.db2.gz	SHSOUYZVUUPBJJ-HXUWFJFHSA-N	-1	0	423.469	2.101	50	0		HEAARM
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])cc1	ZINC000012901616	558483669	/nfs/dbraw/zinc/48/36/69/558483669.db2.gz	IINYWAVKDFXXHF-QGZVFWFLSA-N	-1	0	421.471	2.475	50	0	biogenic	HEAARM
CC(C)[C@@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[N-]OCc1ccccc1	ZINC000023040127	558531241	/nfs/dbraw/zinc/53/12/41/558531241.db2.gz	DCGGXPWFBIDCKX-MRXNPFEDSA-N	-1	0	420.516	2.242	50	0		HEAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1-c1ccccc1	ZINC000013411004	558532169	/nfs/dbraw/zinc/53/21/69/558532169.db2.gz	KCYYIEQBPSFZRD-QGZVFWFLSA-N	-1	0	422.470	2.048	50	0		HEAARM
CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2s1	ZINC000013691415	558573330	/nfs/dbraw/zinc/57/33/30/558573330.db2.gz	LAVWVTBIBSYAQT-UHFFFAOYSA-N	-1	0	405.457	2.327	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(F)cc1	ZINC000004483211	558602796	/nfs/dbraw/zinc/60/27/96/558602796.db2.gz	ZDQTVERLMUXYAC-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCCn1cc(C(=O)[O-])c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	ZINC000065240443	558674507	/nfs/dbraw/zinc/67/45/07/558674507.db2.gz	KLDLKNFJCJZKPF-UHFFFAOYSA-N	-1	0	412.899	2.156	50	0		HEAARM
COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc2c(c1)OCO2	ZINC000004554639	558722709	/nfs/dbraw/zinc/72/27/09/558722709.db2.gz	GMVHVIPCXLCLQP-YVEFUNNKSA-N	-1	0	403.412	2.431	50	0		HEAARM
O=C(CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1)NCc1cccnc1	ZINC000015107337	558723269	/nfs/dbraw/zinc/72/32/69/558723269.db2.gz	XWGKWERINJGIEU-UHFFFAOYSA-N	-1	0	410.434	2.027	50	0		HEAARM
CC(C)n1cc(S(=O)(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)cn1	ZINC000072295579	558748892	/nfs/dbraw/zinc/74/88/92/558748892.db2.gz	DHRABBZZRBABDA-UHFFFAOYSA-N	-1	0	418.475	2.483	50	0		HEAARM
Cc1c(C(=O)[O-])sc2[nH]c(=S)n(NC(=O)c3ccc4c(c3)OCO4)c(=O)c12	ZINC000017083145	558815639	/nfs/dbraw/zinc/81/56/39/558815639.db2.gz	LXXRTOOKUIBZRR-UHFFFAOYSA-N	-1	0	405.413	2.240	50	0		HEAARM
C[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2ccco2)C1	ZINC000017087319	558816191	/nfs/dbraw/zinc/81/61/91/558816191.db2.gz	SYPSIPRSPXNOHM-NSHDSACASA-N	-1	0	406.460	2.436	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1	ZINC000000915948	558835926	/nfs/dbraw/zinc/83/59/26/558835926.db2.gz	KIANNQQHPVDFSC-MSOLQXFVSA-N	-1	0	422.503	2.093	50	0		HEAARM
CC(=O)Nc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)c(C(=O)[O-])c1	ZINC000033078787	558868119	/nfs/dbraw/zinc/86/81/19/558868119.db2.gz	POMIAURBZSFYIP-UHFFFAOYSA-N	-1	0	410.474	2.412	50	0		HEAARM
CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000033254066	558922381	/nfs/dbraw/zinc/92/23/81/558922381.db2.gz	XBLUBLOJVLJRBW-UHFFFAOYSA-N	-1	0	406.460	2.421	50	0		HEAARM
Cc1nc2ccccc2n1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOCC2)c1	ZINC000072133201	558928803	/nfs/dbraw/zinc/92/88/03/558928803.db2.gz	GHEHCTAQAXVTMD-UHFFFAOYSA-N	-1	0	401.444	2.053	50	0		HEAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O	ZINC000067640798	558990652	/nfs/dbraw/zinc/99/06/52/558990652.db2.gz	RMHUWWNLULOPLZ-GOSISDBHSA-N	-1	0	411.845	2.376	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cncnc2C)CC3)no1	ZINC000077565199	559009325	/nfs/dbraw/zinc/00/93/25/559009325.db2.gz	FXBUUFTVIQRHBS-UHFFFAOYSA-N	-1	0	413.459	2.081	50	0		HEAARM
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2	ZINC000033271422	559032900	/nfs/dbraw/zinc/03/29/00/559032900.db2.gz	RCNDNBOGWHXPIT-AWEZNQCLSA-N	-1	0	403.402	2.099	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1	ZINC000100033083	559128864	/nfs/dbraw/zinc/12/88/64/559128864.db2.gz	BNZBTXCECMTAIU-ROUUACIJSA-N	-1	0	411.393	2.156	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000004992481	559224985	/nfs/dbraw/zinc/22/49/85/559224985.db2.gz	XDFABBKPWDMYOO-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2	ZINC000005154120	559253510	/nfs/dbraw/zinc/25/35/10/559253510.db2.gz	NRMGSGZXSWMZJW-UHFFFAOYSA-N	-1	0	400.456	2.499	50	0		HEAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1	ZINC000011858196	559262831	/nfs/dbraw/zinc/26/28/31/559262831.db2.gz	JOIYTYVLDIHEDE-CYBMUJFWSA-N	-1	0	424.500	2.199	50	0		HEAARM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21	ZINC000014976624	560228029	/nfs/dbraw/zinc/22/80/29/560228029.db2.gz	SKLDVYDFQCXARY-HXUWFJFHSA-N	-1	0	416.792	2.107	50	0	in-vitro	HEAARM
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100946850	560763564	/nfs/dbraw/zinc/76/35/64/560763564.db2.gz	OIXQBWWUZLQPJW-RDJZCZTQSA-N	-1	0	413.817	2.256	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cc(F)ccc1F	ZINC000101174304	560787963	/nfs/dbraw/zinc/78/79/63/560787963.db2.gz	GBJJQEJONKDELP-CVEARBPZSA-N	-1	0	403.320	2.036	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000101387959	560793894	/nfs/dbraw/zinc/79/38/94/560793894.db2.gz	PYUKAKKPFJUNRD-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1F	ZINC000101388874	560793953	/nfs/dbraw/zinc/79/39/53/560793953.db2.gz	IOYFDTFIIJHGHW-DLBZAZTESA-N	-1	0	417.347	2.344	50	0		HEAARM
CCOc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1	ZINC000101762770	560800633	/nfs/dbraw/zinc/80/06/33/560800633.db2.gz	FNOPGNXONZKOFZ-HNNXBMFYSA-N	-1	0	422.441	2.077	50	0		HEAARM
O=C(c1cccs1)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4)[n-]c3n2)CC1	ZINC000102621594	560818295	/nfs/dbraw/zinc/81/82/95/560818295.db2.gz	RGAONKXHEKQQIW-UHFFFAOYSA-N	-1	0	420.498	2.104	50	0		HEAARM
COc1cccc(-c2ccc(=O)n(CC(=O)NCC3(CC(=O)[O-])CCCCC3)n2)c1	ZINC000049548253	568451690	/nfs/dbraw/zinc/45/16/90/568451690.db2.gz	YNLHFSAXAHHUMH-UHFFFAOYSA-N	-1	0	413.474	2.460	50	0		HEAARM
Cc1ccc(C)c(N2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1	ZINC000222546369	568517925	/nfs/dbraw/zinc/51/79/25/568517925.db2.gz	OEFWJBYGYLHMJE-QFIPXVFZSA-N	-1	0	401.507	2.246	50	0		HEAARM
CN1C(=O)Cc2cc(S(=O)(=O)N[C@H](CC(=O)[O-])c3ccccc3Cl)ccc21	ZINC000095348602	568600265	/nfs/dbraw/zinc/60/02/65/568600265.db2.gz	SDEVLQFTGJAGJB-OAHLLOKOSA-N	-1	0	408.863	2.353	50	0		HEAARM
O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)cc1	ZINC000095424360	568607637	/nfs/dbraw/zinc/60/76/37/568607637.db2.gz	BTPBUNFRSQTDJI-GOSISDBHSA-N	-1	0	416.499	2.287	50	0		HEAARM
O=C([O-])c1ccn(-c2cccc(NC(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)c2)n1	ZINC000095425195	568607891	/nfs/dbraw/zinc/60/78/91/568607891.db2.gz	ROLATCBTISMZJX-UHFFFAOYSA-N	-1	0	419.357	2.312	50	0		HEAARM
Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	ZINC000095425258	568607967	/nfs/dbraw/zinc/60/79/67/568607967.db2.gz	WVUOYBZMNTUFPR-UHFFFAOYSA-N	-1	0	404.444	2.151	50	0		HEAARM
Cc1oc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1C(=O)[O-]	ZINC000095425176	568607973	/nfs/dbraw/zinc/60/79/73/568607973.db2.gz	FLUYYOZIJFPQBK-UHFFFAOYSA-N	-1	0	418.427	2.288	50	0		HEAARM
O=C([O-])CCC(=O)N(CCc1ccccc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O	ZINC000020458831	568609658	/nfs/dbraw/zinc/60/96/58/568609658.db2.gz	AYIFVSYFSZZSMS-SFHVURJKSA-N	-1	0	412.417	2.394	50	0		HEAARM
COC(=O)N1CCN(c2ccncc2[N-]S(=O)(=O)c2ccc(C)cc2C)CC1	ZINC000225743743	568670499	/nfs/dbraw/zinc/67/04/99/568670499.db2.gz	KISIQEOOJYEXGD-UHFFFAOYSA-N	-1	0	404.492	2.388	50	0		HEAARM
COc1ccccc1C[C@@H](CNC(=O)CCCNC(=O)c1ccsc1)C(=O)[O-]	ZINC000095989880	568677860	/nfs/dbraw/zinc/67/78/60/568677860.db2.gz	NXUMSLOECJXLQB-INIZCTEOSA-N	-1	0	404.488	2.326	50	0		HEAARM
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1OC	ZINC000000908901	568749785	/nfs/dbraw/zinc/74/97/85/568749785.db2.gz	LRNREMGFJGZAAJ-GQCTYLIASA-N	-1	0	421.427	2.009	50	0		HEAARM
COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc21	ZINC000021756726	568752174	/nfs/dbraw/zinc/75/21/74/568752174.db2.gz	QYEVSNFXMJOXMA-UHFFFAOYSA-N	-1	0	420.487	2.430	50	0		HEAARM
O=C(NC1CCCC1)c1cncc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000021748761	568752182	/nfs/dbraw/zinc/75/21/82/568752182.db2.gz	XOTNFMUJKGKWKA-UHFFFAOYSA-N	-1	0	403.460	2.326	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1	ZINC000096458332	568754008	/nfs/dbraw/zinc/75/40/08/568754008.db2.gz	GXYWQZAFFAMHHE-OALUTQOASA-N	-1	0	407.430	2.244	50	0		HEAARM
Cc1cccc(N2CCN(c3ncc(NS(C)(=O)=O)cc3C(=O)[O-])C[C@@H]2C)c1	ZINC000021883370	568758058	/nfs/dbraw/zinc/75/80/58/568758058.db2.gz	DLZUQZZFGALKIZ-AWEZNQCLSA-N	-1	0	404.492	2.175	50	0		HEAARM
Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022458841	568768028	/nfs/dbraw/zinc/76/80/28/568768028.db2.gz	TWPHBJIXOWXEHU-OAHLLOKOSA-N	-1	0	407.927	2.158	50	0		HEAARM
Nc1c(Cl)cc(S(=O)(=O)N2CCC[C@@H](n3cc(C(=O)[O-])cn3)C2)cc1Cl	ZINC000097165188	568769637	/nfs/dbraw/zinc/76/96/37/568769637.db2.gz	NXGYPLZZTANLMU-SNVBAGLBSA-N	-1	0	419.290	2.496	50	0		HEAARM
COc1cc([C@H](c2sc3ncnn3c2[O-])N2CCC(O)CC2)cc(OC)c1OC	ZINC000022609948	568771951	/nfs/dbraw/zinc/77/19/51/568771951.db2.gz	KRRKWTRJENUPBS-OAHLLOKOSA-N	-1	0	420.491	2.068	50	0		HEAARM
CC(C)C[C@@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002949545	568820723	/nfs/dbraw/zinc/82/07/23/568820723.db2.gz	HJCORYKWVGYNRM-KQGZCTBQSA-N	-1	0	414.414	2.395	50	0		HEAARM
COC(=O)COc1ccc(S(=O)(=O)[N-]c2nccs2)cc1Br	ZINC000226743955	568823180	/nfs/dbraw/zinc/82/31/80/568823180.db2.gz	QTFHTVPMYKRGBR-UHFFFAOYSA-N	-1	0	407.267	2.258	50	0		HEAARM
Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N[C@@H](C)C(=O)[O-]	ZINC000006013514	568835227	/nfs/dbraw/zinc/83/52/27/568835227.db2.gz	DDLWYJYOMDGBEN-NSHDSACASA-N	-1	0	417.892	2.233	50	0		HEAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1	ZINC000230156748	568853047	/nfs/dbraw/zinc/85/30/47/568853047.db2.gz	OENKZWQKYICDPR-AVRDEDQJSA-N	-1	0	423.494	2.443	50	0		HEAARM
O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)S(=O)(=O)[N-]C=N2	ZINC000015682357	568968714	/nfs/dbraw/zinc/96/87/14/568968714.db2.gz	UNAORABQKGXYFZ-UHFFFAOYSA-N	-1	0	405.379	2.458	50	0		HEAARM
COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)[O-])c3ccc(C)cc3)CC2)cc1	ZINC000012926680	569023888	/nfs/dbraw/zinc/02/38/88/569023888.db2.gz	IMCRPGDESWORBF-LJQANCHMSA-N	-1	0	404.488	2.136	50	0		HEAARM
CCc1ccccc1S(=O)(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(=O)[O-]	ZINC000064461985	569063124	/nfs/dbraw/zinc/06/31/24/569063124.db2.gz	GXQARSRGNVRYBV-UHFFFAOYSA-N	-1	0	403.504	2.500	50	0		HEAARM
CC(C)CNC(=O)CN1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589832	569069089	/nfs/dbraw/zinc/06/90/89/569069089.db2.gz	JUDMMXLBRRSNLJ-UHFFFAOYSA-N	-1	0	418.538	2.264	50	0		HEAARM
COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000006770397	569116151	/nfs/dbraw/zinc/11/61/51/569116151.db2.gz	XOUVBDXMTHMARP-IAGOWNOFSA-N	-1	0	412.377	2.114	50	0		HEAARM
O=C(COc1ccccc1)Nc1nnc(S(=O)(=O)[N-]Cc2ccccc2)s1	ZINC000006817761	569138683	/nfs/dbraw/zinc/13/86/83/569138683.db2.gz	FYIDYVRZTZPFRZ-UHFFFAOYSA-N	-1	0	404.473	2.034	50	0		HEAARM
COc1ccc(CCNC(=O)CCC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1OC	ZINC000006914180	569179917	/nfs/dbraw/zinc/17/99/17/569179917.db2.gz	TWNDBFOHVVCAED-UHFFFAOYSA-N	-1	0	417.487	2.165	50	0		HEAARM
CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1)C(=O)[O-]	ZINC000238937200	569228568	/nfs/dbraw/zinc/22/85/68/569228568.db2.gz	UDSVXEUWQPSIII-MPGHIAIKSA-N	-1	0	402.495	2.396	50	0		HEAARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000007505367	569243398	/nfs/dbraw/zinc/24/33/98/569243398.db2.gz	TVEVCYQWFADWMM-UHFFFAOYSA-N	-1	0	408.432	2.250	50	0		HEAARM
COc1ccc(-c2nn3c(nc2=O)-c2cccc(C)c2N2C(=O)CC[C@]23C(=O)[O-])cc1	ZINC000170620081	569248718	/nfs/dbraw/zinc/24/87/18/569248718.db2.gz	BBFINJAZCNAZAQ-QFIPXVFZSA-N	-1	0	418.409	2.167	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-]	ZINC000009883904	569251482	/nfs/dbraw/zinc/25/14/82/569251482.db2.gz	FHUOIRKDJNZVMW-ABAIWWIYSA-N	-1	0	402.900	2.354	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCCn1cnc2ccccc2c1=O	ZINC000002128187	569286332	/nfs/dbraw/zinc/28/63/32/569286332.db2.gz	HGXQVKUTPHBTPA-FQEVSTJZSA-N	-1	0	418.453	2.470	50	0	biogenic	HEAARM
COc1ccc2c(C)c(CC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c(=O)oc2c1	ZINC000002152528	569290113	/nfs/dbraw/zinc/29/01/13/569290113.db2.gz	REDQCJGVSFJQFC-SFHVURJKSA-N	-1	0	411.410	2.170	50	0	biogenic	HEAARM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@@H]2CCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000146927171	569359530	/nfs/dbraw/zinc/35/95/30/569359530.db2.gz	HDACQVRGBOVJII-PKOFMYQESA-N	-1	0	416.518	2.383	50	0		HEAARM
CC(C)CCNC(=O)NC(=O)CNC(=O)c1cc(Cl)c(Cl)cc1C(=O)[O-]	ZINC000012925314	569405011	/nfs/dbraw/zinc/40/50/11/569405011.db2.gz	KWUSIRIYSFWROK-UHFFFAOYSA-N	-1	0	404.250	2.293	50	0		HEAARM
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)c1C	ZINC000079111616	569428125	/nfs/dbraw/zinc/42/81/25/569428125.db2.gz	DZVSDLOKKHBKQP-UHFFFAOYSA-N	-1	0	400.478	2.013	50	0		HEAARM
COc1ccc(CCN2C(=O)C[C@@H](Sc3ncccc3C(=O)[O-])C2=O)cc1OC	ZINC000019878589	569432950	/nfs/dbraw/zinc/43/29/50/569432950.db2.gz	QRLZSKWYTPMQKP-MRXNPFEDSA-N	-1	0	416.455	2.259	50	0		HEAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008738306	571110160	/nfs/dbraw/zinc/11/01/60/571110160.db2.gz	FIVYWKHQPXLMLA-VBNZEHGJSA-N	-1	0	404.467	2.443	50	0		HEAARM
COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(CCc3ccccc3)c1=O)NCC2	ZINC000008768499	571116327	/nfs/dbraw/zinc/11/63/27/571116327.db2.gz	QFFQAYQQNZVEGK-FQEVSTJZSA-N	-1	0	423.469	2.150	50	0	biogenic	HEAARM
O=C(Cc1cn2ccsc2n1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009157105	571231933	/nfs/dbraw/zinc/23/19/33/571231933.db2.gz	SCIPHKWHNHSGDV-UHFFFAOYSA-N	-1	0	414.472	2.168	50	0		HEAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1)NCc1cccnc1	ZINC000009421821	571257225	/nfs/dbraw/zinc/25/72/25/571257225.db2.gz	OEWNIFCBZUFGHO-UHFFFAOYSA-N	-1	0	406.464	2.337	50	0		HEAARM
CC(C)C[C@H](NC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3)C(=O)[O-]	ZINC000009484607	571262263	/nfs/dbraw/zinc/26/22/63/571262263.db2.gz	IOSYYNUHKLNYMV-KRWDZBQOSA-N	-1	0	401.463	2.117	50	0		HEAARM
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)C[C@H](C)O1	ZINC000009498370	571263235	/nfs/dbraw/zinc/26/32/35/571263235.db2.gz	WUCKLLVLJFQFAW-GJZGRUSLSA-N	-1	0	424.519	2.002	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3ccncc3)cs2)cc1	ZINC000009821155	571286256	/nfs/dbraw/zinc/28/62/56/571286256.db2.gz	VSQRUVRFEIYYGC-UHFFFAOYSA-N	-1	0	418.500	2.206	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3cccnc3)cs2)cc1	ZINC000009820911	571286333	/nfs/dbraw/zinc/28/63/33/571286333.db2.gz	OWJJEPKDQROZIS-UHFFFAOYSA-N	-1	0	418.500	2.206	50	0		HEAARM
CCN1CCOc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2C1=O	ZINC000009828194	571286803	/nfs/dbraw/zinc/28/68/03/571286803.db2.gz	VYGRSRWSSAJLLQ-UHFFFAOYSA-N	-1	0	406.460	2.359	50	0		HEAARM
COc1cc(OC)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1	ZINC000009849240	571288173	/nfs/dbraw/zinc/28/81/73/571288173.db2.gz	XIYUKKLXXHBZBB-UHFFFAOYSA-N	-1	0	404.404	2.140	50	0		HEAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4ccncc4)CC3)cc21	ZINC000000794063	132232603	/nfs/dbraw/zinc/23/26/03/132232603.db2.gz	BEJUJGCJLUYFQP-UHFFFAOYSA-N	-1	0	424.432	2.216	50	0		HEAARM
COC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc21	ZINC000009153240	132336532	/nfs/dbraw/zinc/33/65/32/132336532.db2.gz	VGLQBFHHIARQBJ-UHFFFAOYSA-N	-1	0	422.484	2.108	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)[C@H](C)CC)C(=O)[O-]	ZINC000012889784	132368286	/nfs/dbraw/zinc/36/82/86/132368286.db2.gz	YIUVWIYYICLYRK-OSLDLMBLSA-N	-1	0	418.494	2.185	50	0	biogenic	HEAARM
CCCC(=O)NCC(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000032928459	519872570	/nfs/dbraw/zinc/87/25/70/519872570.db2.gz	ZBZFDVSQNRMJPJ-UHFFFAOYSA-N	-1	0	423.466	2.490	50	0		HEAARM
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c(=O)nc2ccc(Cl)cn2c1[O-]	ZINC000205946094	523339980	/nfs/dbraw/zinc/33/99/80/523339980.db2.gz	HODLOQKHHTWZEU-GFCCVEGCSA-N	-1	0	404.806	2.463	50	0		HEAARM
O=C([O-])c1cccc(NC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)c1	ZINC000041181983	526392478	/nfs/dbraw/zinc/39/24/78/526392478.db2.gz	CVXKGSVNPYMCMG-UHFFFAOYSA-N	-1	0	408.819	2.357	50	0		HEAARM
O=C([N-]S(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(Br)cc1F	ZINC000042267584	526852901	/nfs/dbraw/zinc/85/29/01/526852901.db2.gz	XQOFDXOYDNPNOA-UHFFFAOYSA-N	-1	0	416.224	2.478	50	0		HEAARM
NC(=O)[C@@H]1CCCN1[C@H](C(=O)[O-])c1c[nH]c2ccc(NC(=O)c3ccccc3)cc21	ZINC000031814872	526968411	/nfs/dbraw/zinc/96/84/11/526968411.db2.gz	RXNVMHGNFOPSAE-OALUTQOASA-N	-1	0	406.442	2.496	50	0		HEAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc2c(c1)OCCO2	ZINC000001053847	557160938	/nfs/dbraw/zinc/16/09/38/557160938.db2.gz	XMCXBLKDLPGVRE-UHFFFAOYSA-N	-1	0	412.427	2.301	50	0		HEAARM
O=C([O-])COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1	ZINC000001205697	557240666	/nfs/dbraw/zinc/24/06/66/557240666.db2.gz	LAQGYZIHXZTCAN-INIZCTEOSA-N	-1	0	424.409	2.177	50	0		HEAARM
Cc1cccc(N(CC(N)=O)[C@@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000001245493	557251145	/nfs/dbraw/zinc/25/11/45/557251145.db2.gz	FLOGCUDSCLNBCO-GOSISDBHSA-N	-1	0	413.455	2.207	50	0		HEAARM
O=C(CSc1ncccn1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000002863314	557411047	/nfs/dbraw/zinc/41/10/47/557411047.db2.gz	HITDWRNDQLFYQF-UHFFFAOYSA-N	-1	0	407.502	2.465	50	0		HEAARM
COCCOc1ccc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[n-]2)cc1OC	ZINC000034767192	557462389	/nfs/dbraw/zinc/46/23/89/557462389.db2.gz	KGSYKZYBYCHGSE-UHFFFAOYSA-N	-1	0	416.478	2.223	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000004969710	557618542	/nfs/dbraw/zinc/61/85/42/557618542.db2.gz	RFQJJVFEDIUGBY-MOPGFXCFSA-N	-1	0	407.430	2.326	50	0		HEAARM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)c(Cl)c2)n1	ZINC000002804477	557763583	/nfs/dbraw/zinc/76/35/83/557763583.db2.gz	GBFAIFSGOCWKFT-UHFFFAOYSA-N	-1	0	401.279	2.476	50	0		HEAARM
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c1	ZINC000019898773	558304569	/nfs/dbraw/zinc/30/45/69/558304569.db2.gz	MWEWJLYQXQJMEZ-UHFFFAOYSA-N	-1	0	416.463	2.128	50	0		HEAARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000012376513	558392136	/nfs/dbraw/zinc/39/21/36/558392136.db2.gz	IBCWCPCOCVOGKE-CABCVRRESA-N	-1	0	417.343	2.266	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1	ZINC000020716878	558401605	/nfs/dbraw/zinc/40/16/05/558401605.db2.gz	HSKBABXSBWVVDI-KXBFYZLASA-N	-1	0	402.472	2.344	50	0		HEAARM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1	ZINC000013013145	558503649	/nfs/dbraw/zinc/50/36/49/558503649.db2.gz	NQBLCUQIGVIPJN-OAHLLOKOSA-N	-1	0	412.471	2.374	50	0		HEAARM
CCc1nnc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)s1	ZINC000013945074	558606704	/nfs/dbraw/zinc/60/67/04/558606704.db2.gz	CJDNGEZKGQKUMO-YRNVUSSQSA-N	-1	0	418.456	2.474	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)C3=COCCO3)ccc2OC)cc1	ZINC000015897859	558761291	/nfs/dbraw/zinc/76/12/91/558761291.db2.gz	WFOLHHLICDVRDT-UHFFFAOYSA-N	-1	0	420.443	2.331	50	0		HEAARM
NC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCC(=O)[O-])c(F)c2)c(F)c1	ZINC000072306295	558765555	/nfs/dbraw/zinc/76/55/55/558765555.db2.gz	QTECADPXZSPPGI-UHFFFAOYSA-N	-1	0	414.386	2.108	50	0		HEAARM
COc1cc(NC(=O)Cc2ccccc2C(=O)[O-])ccc1N1CCCS1(=O)=O	ZINC000071284428	558765894	/nfs/dbraw/zinc/76/58/94/558765894.db2.gz	KYMPKFWNKQNTPN-UHFFFAOYSA-N	-1	0	404.444	2.115	50	0		HEAARM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)NCc2ccccc2)cc1	ZINC000017092264	558820701	/nfs/dbraw/zinc/82/07/01/558820701.db2.gz	DWGOKLSRQSJVRL-UHFFFAOYSA-N	-1	0	420.516	2.008	50	0		HEAARM
Cc1ccccc1N1C(=O)C[C@H](N(CCc2ccccc2)C(=O)C=CC(=O)[O-])C1=O	ZINC000018194937	558833109	/nfs/dbraw/zinc/83/31/09/558833109.db2.gz	DZXISOKREVUKBD-CVTTXWKISA-N	-1	0	406.438	2.339	50	0		HEAARM
C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br)C(=O)[O-]	ZINC000013544788	558842721	/nfs/dbraw/zinc/84/27/21/558842721.db2.gz	IIDHAYCIVBAIKQ-RSYJBZMQSA-N	-1	0	407.220	2.402	50	0		HEAARM
COc1ccc(-c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)c2cccn2C)CC4)cc1	ZINC000097151799	558997499	/nfs/dbraw/zinc/99/74/99/558997499.db2.gz	PQWFIJPTUAKUQE-UHFFFAOYSA-N	-1	0	403.442	2.235	50	0		HEAARM
O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1	ZINC000072280509	559050565	/nfs/dbraw/zinc/05/05/65/559050565.db2.gz	XBZUXDWLTHCXLC-NSHDSACASA-N	-1	0	400.341	2.300	50	0		HEAARM
CC(C)(C)OC(=O)N1[C@@H](C(=O)[O-])CO[C@@H]2CCN(C(=O)OCc3ccccc3)C[C@@H]21	ZINC000091302523	559070948	/nfs/dbraw/zinc/07/09/48/559070948.db2.gz	OQZBJNZUDVGSRD-GVDBMIGSSA-N	-1	0	420.462	2.487	50	0		HEAARM
O=C([O-])c1cccc([C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)c1	ZINC000095381262	559080533	/nfs/dbraw/zinc/08/05/33/559080533.db2.gz	FHTDBQCLPIVFQQ-AWEZNQCLSA-N	-1	0	401.444	2.123	50	0		HEAARM
COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)Cc3sc(C)nc3C)C[C@H]21	ZINC000096151418	559098780	/nfs/dbraw/zinc/09/87/80/559098780.db2.gz	DUEFAWLRLPHEOL-JLTOFOAXSA-N	-1	0	402.472	2.400	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000100033177	559128923	/nfs/dbraw/zinc/12/89/23/559128923.db2.gz	RFQJJVFEDIUGBY-OALUTQOASA-N	-1	0	407.430	2.326	50	0		HEAARM
CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)cc1	ZINC000100036860	559129105	/nfs/dbraw/zinc/12/91/05/559129105.db2.gz	DYBRMLFAAJODQR-RBUKOAKNSA-N	-1	0	407.430	2.190	50	0		HEAARM
COc1c(Br)cc(/C=C2\NC(=S)NC2=O)c([O-])c1Br	ZINC000100285686	559133699	/nfs/dbraw/zinc/13/36/99/559133699.db2.gz	SXRFSHQJTLAUJM-UTCJRWHESA-N	-1	0	408.071	2.271	50	0		HEAARM
COCCCNC(=O)CCCn1c(=O)c2[nH]c3ccc(OC)cc3c2[n-]c1=S	ZINC000004951016	559215873	/nfs/dbraw/zinc/21/58/73/559215873.db2.gz	IOUKPUHLDXYLTR-UHFFFAOYSA-N	-1	0	404.492	2.482	50	0		HEAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCCC(=O)NCC(OC)OC)c3=O)c2c1	ZINC000004951027	559215885	/nfs/dbraw/zinc/21/58/85/559215885.db2.gz	RWMBKBBOSPUFBE-UHFFFAOYSA-N	-1	0	420.491	2.064	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2OC)cc1	ZINC000005075816	559241017	/nfs/dbraw/zinc/24/10/17/559241017.db2.gz	DQEONGTUWLYHFE-UHFFFAOYSA-N	-1	0	412.489	2.045	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-]	ZINC000061720633	560536684	/nfs/dbraw/zinc/53/66/84/560536684.db2.gz	VBUROAZMUCPPDO-DIFFPNOSSA-N	-1	0	422.279	2.288	50	0		HEAARM
CCCC[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000005209463	560538843	/nfs/dbraw/zinc/53/88/43/560538843.db2.gz	MFDKRLIQUMFARA-RBUKOAKNSA-N	-1	0	423.469	2.233	50	0		HEAARM
COc1ccc2c(cc(C(=O)N[C@H](C(=O)N3CCC(C(=O)[O-])CC3)C(C)C)n2C)c1	ZINC000005205140	560539175	/nfs/dbraw/zinc/53/91/75/560539175.db2.gz	OKOBPBORQNJRTL-IBGZPJMESA-N	-1	0	415.490	2.265	50	0		HEAARM
CCOc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2	ZINC000101167482	560546400	/nfs/dbraw/zinc/54/64/00/560546400.db2.gz	XCDJPWVSBGACQK-ZWKOTPCHSA-N	-1	0	411.393	2.156	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100935202	560763266	/nfs/dbraw/zinc/76/32/66/560763266.db2.gz	GTCNFIYRHSJUQB-MJGOQNOKSA-N	-1	0	423.425	2.001	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2cccc(OC)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000018154853	560780173	/nfs/dbraw/zinc/78/01/73/560780173.db2.gz	WTZGRCIZQMWTLS-MJGOQNOKSA-N	-1	0	423.425	2.001	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000101169255	560787638	/nfs/dbraw/zinc/78/76/38/560787638.db2.gz	VPPKTOPJFKURNR-HOTGVXAUSA-N	-1	0	403.320	2.036	50	0		HEAARM
CCCCn1c([O-])c(C2=NN[C@@H](c3ccc(Br)cc3)C2)c(=O)[nH]c1=O	ZINC000101761945	560800466	/nfs/dbraw/zinc/80/04/66/560800466.db2.gz	UMYGACTYEVHKFO-GFCCVEGCSA-N	-1	0	407.268	2.244	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1	ZINC000049002781	568446159	/nfs/dbraw/zinc/44/61/59/568446159.db2.gz	PDKYRYAOWUVWKU-IAGOWNOFSA-N	-1	0	404.386	2.239	50	0		HEAARM
COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccc(C)c(C)c3)c1=O)NCC2	ZINC000020410507	568605268	/nfs/dbraw/zinc/60/52/68/568605268.db2.gz	BLJQLNMFTUTWAG-HXUWFJFHSA-N	-1	0	423.469	2.101	50	0	biogenic	HEAARM
CCS(=O)(=O)Nc1cccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1	ZINC000095956912	568669654	/nfs/dbraw/zinc/66/96/54/568669654.db2.gz	INOSZEDXAYTNKE-GOSISDBHSA-N	-1	0	415.471	2.355	50	0		HEAARM
CN(CCCC(=O)[O-])C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000095969622	568671239	/nfs/dbraw/zinc/67/12/39/568671239.db2.gz	BCIWDPQNYLYLRU-ZDUSSCGKSA-N	-1	0	402.900	2.064	50	0		HEAARM
Cc1ccc(CN(CC(=O)[O-])C(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)cc1	ZINC000095969958	568671269	/nfs/dbraw/zinc/67/12/69/568671269.db2.gz	URUDLEGUGQYRTK-UHFFFAOYSA-N	-1	0	420.487	2.490	50	0		HEAARM
COc1ccc(C(=O)NCc2cc(C(=O)[O-])c(C)o2)cc1S(=O)(=O)NC(C)(C)C	ZINC000095970443	568671317	/nfs/dbraw/zinc/67/13/17/568671317.db2.gz	CLUNYHZPHXLEJX-UHFFFAOYSA-N	-1	0	424.475	2.302	50	0		HEAARM
CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCN(C)CC3)c([O-])n2n1	ZINC000022577961	568770242	/nfs/dbraw/zinc/77/02/42/568770242.db2.gz	IEIKADSIFMKZSW-KRWDZBQOSA-N	-1	0	417.535	2.413	50	0		HEAARM
CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578285	568770346	/nfs/dbraw/zinc/77/03/46/568770346.db2.gz	ZBWQBANDIHKVIJ-GOSISDBHSA-N	-1	0	415.563	2.321	50	0		HEAARM
CCOC(=O)N1CCN([C@H](c2sc3ncnn3c2[O-])c2cccc(OC)c2)CC1	ZINC000022609888	568771850	/nfs/dbraw/zinc/77/18/50/568771850.db2.gz	NLRHBTMLRUMJBH-HNNXBMFYSA-N	-1	0	417.491	2.369	50	0		HEAARM
CC(=O)c1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(C(=O)[O-])cc4)C3=O)CC2)cc1	ZINC000215726988	568795159	/nfs/dbraw/zinc/79/51/59/568795159.db2.gz	ZVCVFCFMSYZGDW-HXUWFJFHSA-N	-1	0	421.453	2.042	50	0		HEAARM
Cn1cc(S(=O)(=O)[N-]c2cnn(COc3ccc(Br)cc3)c2)cn1	ZINC000002803436	568811394	/nfs/dbraw/zinc/81/13/94/568811394.db2.gz	SXZQMPFREFVLEI-UHFFFAOYSA-N	-1	0	412.269	2.216	50	0		HEAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@H](C)[C@H](c2ccccc2)N2CCOCC2)cc1	ZINC000003202196	568861465	/nfs/dbraw/zinc/86/14/65/568861465.db2.gz	GPAOJILOQKOBDM-YLJYHZDGSA-N	-1	0	417.531	2.445	50	0		HEAARM
O=C(CCc1cccc(Cl)c1)[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000059368853	568952140	/nfs/dbraw/zinc/95/21/40/568952140.db2.gz	PGIDXWJSGACEHD-UHFFFAOYSA-N	-1	0	420.874	2.015	50	0		HEAARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N1CC[C@@]2(C1)CCCN(CCC1CCCCC1)C2=O	ZINC000426399474	569072800	/nfs/dbraw/zinc/07/28/00/569072800.db2.gz	YDUAHJPVHNEYQZ-JOCHJYFZSA-N	-1	0	416.522	2.242	50	0		HEAARM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc(Br)cnc2N)c1	ZINC000006778056	569118717	/nfs/dbraw/zinc/11/87/17/569118717.db2.gz	QMANOCIXEGYFMS-UHFFFAOYSA-N	-1	0	400.254	2.404	50	0		HEAARM
CC(C)(C)OC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036352552	569147429	/nfs/dbraw/zinc/14/74/29/569147429.db2.gz	XFRJSUWKTPUSQU-SFHVURJKSA-N	-1	0	417.462	2.404	50	0		HEAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(c3ccccn3)CC1)cn2CC(=O)[O-]	ZINC000036353252	569147705	/nfs/dbraw/zinc/14/77/05/569147705.db2.gz	RYCNJGYXQTZTFG-NRFANRHFSA-N	-1	0	424.457	2.077	50	0		HEAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c2ccccc21	ZINC000036354090	569147913	/nfs/dbraw/zinc/14/79/13/569147913.db2.gz	HNVVHLUGGRBPLV-NRFANRHFSA-N	-1	0	408.458	2.064	50	0		HEAARM
C[NH+]1CCN([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3ccc(Br)cc23)CC1	ZINC000036355089	569148372	/nfs/dbraw/zinc/14/83/72/569148372.db2.gz	GIKDCQGHVYXPTD-QGZVFWFLSA-N	-1	0	424.295	2.252	50	0		HEAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036358299	569149550	/nfs/dbraw/zinc/14/95/50/569149550.db2.gz	KQVRIBUYBWACAS-HXUWFJFHSA-N	-1	0	408.458	2.215	50	0		HEAARM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(CCc3ccncc3)CC2)c1C(=O)[O-]	ZINC000036364986	569152558	/nfs/dbraw/zinc/15/25/58/569152558.db2.gz	GBBLYCZLVRJNRJ-NRFANRHFSA-N	-1	0	422.485	2.258	50	0		HEAARM
C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000252443981	569285806	/nfs/dbraw/zinc/28/58/06/569285806.db2.gz	IYARUPHWSPUIMO-RPVQJOFSSA-N	-1	0	400.479	2.158	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccnc(OC3CCCC3)c2)cc1	ZINC000252489421	569289430	/nfs/dbraw/zinc/28/94/30/569289430.db2.gz	JQTULHHNWRXVQF-UHFFFAOYSA-N	-1	0	403.460	2.480	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000012888418	569404548	/nfs/dbraw/zinc/40/45/48/569404548.db2.gz	PGKZDBLPSWBQQE-ZMYBRWDISA-N	-1	0	423.469	2.089	50	0	biogenic	HEAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(-n2cncn2)cc1	ZINC000008862405	571128910	/nfs/dbraw/zinc/12/89/10/571128910.db2.gz	JTOGNISYYNDTIL-UHFFFAOYSA-N	-1	0	421.442	2.110	50	0		HEAARM
C[C@H](Cn1ccnc1)NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000040154175	571201507	/nfs/dbraw/zinc/20/15/07/571201507.db2.gz	DZKODCNDIRXWTJ-CQSZACIVSA-N	-1	0	404.517	2.493	50	0		HEAARM
COc1ccc(OC)c(C2=NN(C(=O)/C=C/C(=O)[O-])[C@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000009134291	571229253	/nfs/dbraw/zinc/22/92/53/571229253.db2.gz	CTOLMDNHACWUCB-CZQLGGELSA-N	-1	0	421.409	2.129	50	0		HEAARM
Cc1cc(S(=O)(=O)[N-]c2ccc(-n3nnn(C)c3=O)cc2)c(Cl)cc1Cl	ZINC000077100113	571311198	/nfs/dbraw/zinc/31/11/98/571311198.db2.gz	HJABRXQHAAXZEW-UHFFFAOYSA-N	-1	0	414.274	2.382	50	0		HEAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c(cc1C)N(C(C)=O)CCO2	ZINC000006779605	132315858	/nfs/dbraw/zinc/31/58/58/132315858.db2.gz	UOAKMFYWHSHLJM-UHFFFAOYSA-N	-1	0	404.444	2.328	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)[C@@H](C)CC)C(=O)[O-]	ZINC000012889778	132368269	/nfs/dbraw/zinc/36/82/69/132368269.db2.gz	YIUVWIYYICLYRK-LUVWLHFXSA-N	-1	0	418.494	2.185	50	0	biogenic	HEAARM
COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(OC)c(OC)c(OC)c2)C1=O	ZINC000000982414	524535672	/nfs/dbraw/zinc/53/56/72/524535672.db2.gz	DYXLCVNSDOQINW-UKTHLTGXSA-N	-1	0	412.398	2.387	50	0		HEAARM
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCc4cccc(F)c43)cc2)C1	ZINC000032084815	526316888	/nfs/dbraw/zinc/31/68/88/526316888.db2.gz	UQVZJOOMEKKDHD-AWEZNQCLSA-N	-1	0	418.446	2.405	50	0		HEAARM
NC(=O)c1c2[nH]c(=O)cc([O-])c2sc1SCC(=O)c1ccc2c(c1)OCCO2	ZINC000044892635	527020417	/nfs/dbraw/zinc/02/04/17/527020417.db2.gz	BJKSYAZRSTZPFA-UHFFFAOYSA-N	-1	0	418.452	2.140	50	0		HEAARM
NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(I)cc1	ZINC000044268616	527092022	/nfs/dbraw/zinc/09/20/22/527092022.db2.gz	XIOSUBYZZFGLPW-UHFFFAOYSA-N	-1	0	402.213	2.191	50	0		HEAARM
C[C@H](Cc1ccc2c(c1)OC(C(=O)[O-])(C(=O)[O-])O2)[NH2+]C[C@H](O)c1cccc(Cl)c1	ZINC000001493298	557270541	/nfs/dbraw/zinc/27/05/41/557270541.db2.gz	JEDJMKTVUPSHFW-ABAIWWIYSA-N	-1	0	421.833	2.231	50	0	in-vitro	HEAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]NC(=S)NCc2ccc(Cl)cc2)cc1	ZINC000002853475	557405939	/nfs/dbraw/zinc/40/59/39/557405939.db2.gz	ADIMOYAPAPOURN-UHFFFAOYSA-N	-1	0	412.924	2.156	50	0		HEAARM
O=S(=O)([N-]NC(=S)NCCc1ccccc1)c1ccc(Br)cc1	ZINC000002856174	557407177	/nfs/dbraw/zinc/40/71/77/557407177.db2.gz	JYSKXRJGXKMNQE-UHFFFAOYSA-N	-1	0	414.350	2.349	50	0		HEAARM
O=C([O-])CNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccccc1	ZINC000002954333	557430619	/nfs/dbraw/zinc/43/06/19/557430619.db2.gz	CLLWGSGJCLVLAV-XNTDXEJSSA-N	-1	0	403.232	2.421	50	0		HEAARM
COc1ccc(CC(=O)N[C@@H](Cc2ccc(OC)c(OC)c2)C(=O)[O-])cc1OC	ZINC000004672461	557579875	/nfs/dbraw/zinc/57/98/75/557579875.db2.gz	PIZUITNWZVNXTB-HNNXBMFYSA-N	-1	0	403.431	2.076	50	0		HEAARM
CSCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-]	ZINC000005674153	557668129	/nfs/dbraw/zinc/66/81/29/557668129.db2.gz	PIUQWHRUBDAABM-BDJLRTHQSA-N	-1	0	405.472	2.372	50	0		HEAARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000006730626	557718079	/nfs/dbraw/zinc/71/80/79/557718079.db2.gz	DEVQKDGHVWARPY-RYUDHWBXSA-N	-1	0	420.940	2.125	50	0		HEAARM
COC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cc(N3CCCC3=O)ccc2C)c1	ZINC000008782701	557808453	/nfs/dbraw/zinc/80/84/53/557808453.db2.gz	YRNWPBLJQRZGOZ-UHFFFAOYSA-N	-1	0	404.444	2.415	50	0		HEAARM
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2C[C@@H]1C	ZINC000013460147	558263836	/nfs/dbraw/zinc/26/38/36/558263836.db2.gz	UYLLRZONOQHQGE-UGSOOPFHSA-N	-1	0	402.472	2.478	50	0		HEAARM
COc1ccc(CN(C(=O)CCC(=O)[O-])[C@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000020082062	558330818	/nfs/dbraw/zinc/33/08/18/558330818.db2.gz	XCEPVOTXDQAVTA-SFHVURJKSA-N	-1	0	410.426	2.221	50	0		HEAARM
COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2cccc3nsnc32)cc1OC	ZINC000012371219	558389481	/nfs/dbraw/zinc/38/94/81/558389481.db2.gz	KGGWBRHSXYJWQF-GFCCVEGCSA-N	-1	0	423.472	2.203	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c1	ZINC000020716866	558401624	/nfs/dbraw/zinc/40/16/24/558401624.db2.gz	HSKBABXSBWVVDI-DNVCBOLYSA-N	-1	0	402.472	2.344	50	0		HEAARM
C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013235201	558527650	/nfs/dbraw/zinc/52/76/50/558527650.db2.gz	IYARUPHWSPUIMO-SKDZVZGDSA-N	-1	0	400.479	2.158	50	0		HEAARM
CC(=O)N1c2ccc(S(=O)(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2C[C@H]1C	ZINC000013460280	558533009	/nfs/dbraw/zinc/53/30/09/558533009.db2.gz	MIZSRTUBRHRSRQ-GFCCVEGCSA-N	-1	0	400.456	2.434	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)cc(C)c4)c=3c2=O)cc1	ZINC000004483311	558602864	/nfs/dbraw/zinc/60/28/64/558602864.db2.gz	OAFSITVQLFRLMJ-MOPGFXCFSA-N	-1	0	407.430	2.244	50	0		HEAARM
O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1	ZINC000072280508	558705263	/nfs/dbraw/zinc/70/52/63/558705263.db2.gz	XBZUXDWLTHCXLC-LLVKDONJSA-N	-1	0	400.341	2.300	50	0		HEAARM
COc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1S(=O)(=O)N1CCC(C)CC1	ZINC000022358358	558779431	/nfs/dbraw/zinc/77/94/31/558779431.db2.gz	BMZINBQXSZSOAW-UHFFFAOYSA-N	-1	0	424.519	2.053	50	0		HEAARM
COC(=O)c1c(C)c(C(=O)Nc2ccccc2C)sc1NC(=O)COCC(=O)[O-]	ZINC000017092149	558820640	/nfs/dbraw/zinc/82/06/40/558820640.db2.gz	FMMMDWVAWOHAPF-UHFFFAOYSA-N	-1	0	420.443	2.444	50	0		HEAARM
COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccc(C(=O)[O-])cc3)n2)c(F)c1	ZINC000049549018	558850194	/nfs/dbraw/zinc/85/01/94/558850194.db2.gz	CYPGOCZCQRGNIC-UHFFFAOYSA-N	-1	0	411.389	2.073	50	0		HEAARM
Nc1nn(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCC3)c2)c2ccc(F)cc12	ZINC000071721666	558908092	/nfs/dbraw/zinc/90/80/92/558908092.db2.gz	GCOBFEXJAKJKPP-UHFFFAOYSA-N	-1	0	404.423	2.230	50	0		HEAARM
COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3OC)cc21	ZINC000021756829	558948338	/nfs/dbraw/zinc/94/83/38/558948338.db2.gz	PRJQSOUICASGTA-UHFFFAOYSA-N	-1	0	420.487	2.430	50	0		HEAARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000004751586	559048923	/nfs/dbraw/zinc/04/89/23/559048923.db2.gz	BVYZWNAJSRGEHM-CABCVRRESA-N	-1	0	401.781	2.040	50	0		HEAARM
CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000100028398	559128760	/nfs/dbraw/zinc/12/87/60/559128760.db2.gz	AEHFUSUKUVVNSP-SJORKVTESA-N	-1	0	413.434	2.480	50	0		HEAARM
Cc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100613835	559136954	/nfs/dbraw/zinc/13/69/54/559136954.db2.gz	HKZGDIZWJOJHAD-UHFFFAOYSA-N	-1	0	402.410	2.056	50	0		HEAARM
O=C([O-])CNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)cc1	ZINC000004836827	559166212	/nfs/dbraw/zinc/16/62/12/559166212.db2.gz	JYIYOIFDGIEREV-XNTDXEJSSA-N	-1	0	403.232	2.421	50	0		HEAARM
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(F)cc4)c=3c2=O)c1	ZINC000004852097	559191357	/nfs/dbraw/zinc/19/13/57/559191357.db2.gz	CTTYRJMWZSMJCA-RTBURBONSA-N	-1	0	409.421	2.052	50	0		HEAARM
O=C([O-])CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl	ZINC000004859680	559192759	/nfs/dbraw/zinc/19/27/59/559192759.db2.gz	AOFNNRJRAISPNR-AUWJEWJLSA-N	-1	0	402.790	2.040	50	0		HEAARM
Cc1noc(C)c1CN1CCc2c(C(=O)N(C)Cc3n[nH]c(=O)[n-]3)csc2C1	ZINC000426477555	559271754	/nfs/dbraw/zinc/27/17/54/559271754.db2.gz	KZBPATCKBSFQAT-UHFFFAOYSA-N	-1	0	402.480	2.007	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000101387955	560793937	/nfs/dbraw/zinc/79/39/37/560793937.db2.gz	PYUKAKKPFJUNRD-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1cc(OC)ccc1OC	ZINC000101765768	560799394	/nfs/dbraw/zinc/79/93/94/560799394.db2.gz	YUIUGEKRKCXISY-CYBMUJFWSA-N	-1	0	418.475	2.253	50	0		HEAARM
COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)=NN1	ZINC000101762708	560800640	/nfs/dbraw/zinc/80/06/40/560800640.db2.gz	JHSCOIGBQPNVKN-CQSZACIVSA-N	-1	0	412.833	2.332	50	0		HEAARM
COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000218211084	568476402	/nfs/dbraw/zinc/47/64/02/568476402.db2.gz	LDAHYIHZHZBREG-ZDUSSCGKSA-N	-1	0	411.357	2.243	50	0		HEAARM
Cc1ccc(N2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)cc1C	ZINC000223826881	568560084	/nfs/dbraw/zinc/56/00/84/568560084.db2.gz	JRVUTFSVRNSLDB-QFIPXVFZSA-N	-1	0	401.507	2.246	50	0		HEAARM
COc1c2c(cc3c1[C@H](c1c([O-])[nH]c(=S)n(C4CC4)c1=O)N(C)CC3)OCO2	ZINC000020410740	568605206	/nfs/dbraw/zinc/60/52/06/568605206.db2.gz	NSKCYNSTAYDPOK-CQSZACIVSA-N	-1	0	403.460	2.261	50	0	biogenic	HEAARM
CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NCCc1ccc(OCC(=O)[O-])cc1	ZINC000095425570	568607931	/nfs/dbraw/zinc/60/79/31/568607931.db2.gz	FRAUYJQEJNYFGP-NRFANRHFSA-N	-1	0	410.470	2.345	50	0		HEAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccnc1	ZINC000020935767	568652395	/nfs/dbraw/zinc/65/23/95/568652395.db2.gz	DKUMGMXNGLAUIQ-UHFFFAOYSA-N	-1	0	412.402	2.213	50	0		HEAARM
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000021033136	568659493	/nfs/dbraw/zinc/65/94/93/568659493.db2.gz	WLGRWEDUYBBNIL-UHFFFAOYSA-N	-1	0	423.472	2.107	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1nnc2ccc(Cl)nn21	ZINC000096231574	568707313	/nfs/dbraw/zinc/70/73/13/568707313.db2.gz	AIRTWNYKFXJMPF-AWEZNQCLSA-N	-1	0	412.837	2.004	50	0		HEAARM
COc1cc(C)nc(NC(=O)[N-]S(=O)(=O)c2c(C)cc(Cl)nc2Cl)n1	ZINC000001066565	568766725	/nfs/dbraw/zinc/76/67/25/568766725.db2.gz	XUYAAHDLTRVDLT-UHFFFAOYSA-N	-1	0	406.251	2.314	50	0		HEAARM
CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578275	568770450	/nfs/dbraw/zinc/77/04/50/568770450.db2.gz	NFVYLSPEAREJNW-KRWDZBQOSA-N	-1	0	401.536	2.067	50	0		HEAARM
CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578269	568770511	/nfs/dbraw/zinc/77/05/11/568770511.db2.gz	NFVYLSPEAREJNW-QGZVFWFLSA-N	-1	0	401.536	2.067	50	0		HEAARM
O=C(CCCC1=Nc2ccccc2S(=O)(=O)[N-]1)NN1CCC[C@@H]2C=CC=C[C@H]21	ZINC000230172890	568853916	/nfs/dbraw/zinc/85/39/16/568853916.db2.gz	MJCOJEAMEBGKOA-DOTOQJQBSA-N	-1	0	400.504	2.417	50	0		HEAARM
CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(S(C)(=O)=O)c1	ZINC000012730410	568922525	/nfs/dbraw/zinc/92/25/25/568922525.db2.gz	QOQWOBBKBQZALC-UHFFFAOYSA-N	-1	0	405.501	2.441	50	0		HEAARM
COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(=O)[O-]	ZINC000003659092	568923218	/nfs/dbraw/zinc/92/32/18/568923218.db2.gz	WJOPMJHHCNTUCI-OVCLIPMQSA-N	-1	0	400.362	2.391	50	0		HEAARM
CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc21	ZINC000015936518	569023505	/nfs/dbraw/zinc/02/35/05/569023505.db2.gz	HCPRYXIZRKSNQG-SUMWQHHRSA-N	-1	0	418.471	2.315	50	0		HEAARM
CCN(CC)c1ncc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C(=O)[O-]	ZINC000035397644	569034930	/nfs/dbraw/zinc/03/49/30/569034930.db2.gz	XKWWEKOBJDBTRL-UHFFFAOYSA-N	-1	0	409.464	2.444	50	0		HEAARM
C[C@@H]1CN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2[C@H](C)O1	ZINC000247989876	569057624	/nfs/dbraw/zinc/05/76/24/569057624.db2.gz	AAXHHKHQORLYBE-PREKQLOASA-N	-1	0	405.454	2.494	50	0		HEAARM
CC(C)NC(=O)CN1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589975	569069141	/nfs/dbraw/zinc/06/91/41/569069141.db2.gz	QPRVYQVVMCQWOU-UHFFFAOYSA-N	-1	0	404.511	2.016	50	0		HEAARM
CCCNC(=O)CN1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589981	569069146	/nfs/dbraw/zinc/06/91/46/569069146.db2.gz	SBERGPHMXVOQQP-UHFFFAOYSA-N	-1	0	404.511	2.018	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)C2=NNC(=O)CC2)ccc1C	ZINC000006623193	569075110	/nfs/dbraw/zinc/07/51/10/569075110.db2.gz	GJMQZLTVUXLPLK-UHFFFAOYSA-N	-1	0	416.459	2.009	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)N1CCn2c3ccccc3nc21)C(C)C)C(=O)[O-]	ZINC000006624040	569075401	/nfs/dbraw/zinc/07/54/01/569075401.db2.gz	CQDIFMNXDMRGBC-COXVUDFISA-N	-1	0	415.494	2.206	50	0	biogenic	HEAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)c1	ZINC000064922113	569122178	/nfs/dbraw/zinc/12/21/78/569122178.db2.gz	HVROJUGNETXWOF-UHFFFAOYSA-N	-1	0	407.492	2.388	50	0		HEAARM
CC(NCCc1c[nH]cn1)=C1C(=O)[N-]C(=O)N(c2ccc(C(F)(F)F)cc2)C1=O	ZINC000006904188	569178184	/nfs/dbraw/zinc/17/81/84/569178184.db2.gz	FEGRSNLBXHPJRH-GXDHUFHOSA-N	-1	0	407.352	2.118	50	0		HEAARM
COC(=O)c1cc(OC)c(OC)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000007505372	569243393	/nfs/dbraw/zinc/24/33/93/569243393.db2.gz	SMOXWTMFXDPZKJ-UHFFFAOYSA-N	-1	0	409.416	2.062	50	0		HEAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCc1ccc(F)cc1)c2=O	ZINC000016840505	569264467	/nfs/dbraw/zinc/26/44/67/569264467.db2.gz	AMZNVKDLUVXZRE-UHFFFAOYSA-N	-1	0	401.419	2.301	50	0		HEAARM
C[C@H](CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)[S@](C)=O	ZINC000089895518	569267986	/nfs/dbraw/zinc/26/79/86/569267986.db2.gz	CVRDEDCDLDKTJX-OIRASMEMSA-N	-1	0	400.547	2.436	50	0		HEAARM
C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000252443980	569285823	/nfs/dbraw/zinc/28/58/23/569285823.db2.gz	IYARUPHWSPUIMO-MZMPZRCHSA-N	-1	0	400.479	2.158	50	0		HEAARM
O=c1[nH]c(=O)n(CCc2ccc(F)cc2)c([O-])c1[C@H]1[NH2+]CCc2c3ccccc3[nH]c21	ZINC000002130076	569286507	/nfs/dbraw/zinc/28/65/07/569286507.db2.gz	SQJFGFRYTXTCLK-HXUWFJFHSA-N	-1	0	420.444	2.340	50	0	biogenic	HEAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(N)=O)c1	ZINC000013061644	569408317	/nfs/dbraw/zinc/40/83/17/569408317.db2.gz	SHQZKTILRCECMB-JTQLQIEISA-N	-1	0	412.851	2.180	50	0		HEAARM
COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(CCc3ccccc3)c1=O)NCC2	ZINC000008768495	571116318	/nfs/dbraw/zinc/11/63/18/571116318.db2.gz	QFFQAYQQNZVEGK-HXUWFJFHSA-N	-1	0	423.469	2.150	50	0	biogenic	HEAARM
CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000008995727	571208564	/nfs/dbraw/zinc/20/85/64/571208564.db2.gz	PPCXCRNXNWQRBJ-VUCTXSBTSA-N	-1	0	404.467	2.444	50	0	biogenic	HEAARM
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])nc([O-])n(Cc2ccccc2)c1=O	ZINC000009012718	571210988	/nfs/dbraw/zinc/21/09/88/571210988.db2.gz	GAFYNYNAOBLSGP-FQEVSTJZSA-N	-1	0	418.453	2.428	50	0	biogenic	HEAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1OC	ZINC000009356528	571251288	/nfs/dbraw/zinc/25/12/88/571251288.db2.gz	PFRPPKRYIXFRRV-AWEZNQCLSA-N	-1	0	420.487	2.413	50	0		HEAARM
CCc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc1	ZINC000009685195	571279740	/nfs/dbraw/zinc/27/97/40/571279740.db2.gz	OXKYHAVLUPQCIR-UHFFFAOYSA-N	-1	0	405.520	2.478	50	0		HEAARM
O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Br)o1	ZINC000010251326	571298052	/nfs/dbraw/zinc/29/80/52/571298052.db2.gz	ZFEMHQDUCUJUDB-UHFFFAOYSA-N	-1	0	400.192	2.322	50	0		HEAARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2noc(-c3ccc(Cl)cc3)n2)cc1OC	ZINC000328594098	571306875	/nfs/dbraw/zinc/30/68/75/571306875.db2.gz	PLJXZINIJFSPOG-UHFFFAOYSA-N	-1	0	423.834	2.986	50	0		HEAARM
CS(=O)(=O)[N-]c1nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2s1	ZINC000013725884	571309935	/nfs/dbraw/zinc/30/99/35/571309935.db2.gz	FGEBRIVQIIBPGJ-UHFFFAOYSA-N	-1	0	417.516	2.025	50	0		HEAARM
COc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C(=O)[N-]C2=S)c1	ZINC000001154058	132239314	/nfs/dbraw/zinc/23/93/14/132239314.db2.gz	GOCYOOBTEKFGJO-CPNJWEJPSA-N	-1	0	423.494	2.363	50	0		HEAARM
O=C([O-])c1cccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2cccnc2)C3=O)c1	ZINC000000828813	557094993	/nfs/dbraw/zinc/09/49/93/557094993.db2.gz	WNDWWLIDEQAOFB-UHFFFAOYSA-N	-1	0	408.391	2.413	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NCN3C(=O)c4ccccc4C3=O)cc2)no1	ZINC000001028680	557145980	/nfs/dbraw/zinc/14/59/80/557145980.db2.gz	NURVOCLEOZSEHB-UHFFFAOYSA-N	-1	0	412.427	2.449	50	0		HEAARM
O=C([O-])CN1C(=O)[C@@H]2[C@@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21	ZINC000002068309	557306392	/nfs/dbraw/zinc/30/63/92/557306392.db2.gz	KYRBALUEXUYLGH-ASPXRTSYSA-N	-1	0	412.239	2.470	50	0		HEAARM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002508279	557353712	/nfs/dbraw/zinc/35/37/12/557353712.db2.gz	YPLGNDYBRBVBCT-OALUTQOASA-N	-1	0	414.458	2.455	50	0		HEAARM
COc1ccc(CC(=O)N[C@H](Cc2ccc(OC)c(OC)c2)C(=O)[O-])cc1OC	ZINC000002573676	557357390	/nfs/dbraw/zinc/35/73/90/557357390.db2.gz	PIZUITNWZVNXTB-OAHLLOKOSA-N	-1	0	403.431	2.076	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccncc3)cc2)no1	ZINC000003140514	557450806	/nfs/dbraw/zinc/45/08/06/557450806.db2.gz	PCWHHMISMOXNDJ-UHFFFAOYSA-N	-1	0	417.472	2.306	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1	ZINC000004483376	557558788	/nfs/dbraw/zinc/55/87/88/557558788.db2.gz	BNZBTXCECMTAIU-MSOLQXFVSA-N	-1	0	411.393	2.156	50	0		HEAARM
CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccccc2OCC(=O)[O-])NC(=S)N1	ZINC000005027739	557627438	/nfs/dbraw/zinc/62/74/38/557627438.db2.gz	ULPPGPGTIRXPOJ-IBGZPJMESA-N	-1	0	411.483	2.259	50	0		HEAARM
Nc1nc(SCC(=O)NCc2ccccc2)[n-]c(=O)c1NC(=O)c1cccs1	ZINC000002712462	557746095	/nfs/dbraw/zinc/74/60/95/557746095.db2.gz	BAJGQZURNPAPDM-UHFFFAOYSA-N	-1	0	415.500	2.074	50	0		HEAARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1Br)CCC3	ZINC000002776663	557760749	/nfs/dbraw/zinc/76/07/49/557760749.db2.gz	NWKPIQLWENKRKK-UHFFFAOYSA-N	-1	0	408.281	2.135	50	0		HEAARM
CCn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)Nc1cnn(C)c1C	ZINC000002809600	557767753	/nfs/dbraw/zinc/76/77/53/557767753.db2.gz	DGLIKVRSYUSBIE-CHWSQXEVSA-N	-1	0	402.455	2.027	50	0		HEAARM
O=c1c2c([n-]n1-c1ccccc1)[nH]c(CSc1nnnn1-c1ccccc1)cc2=O	ZINC000009014249	557819371	/nfs/dbraw/zinc/81/93/71/557819371.db2.gz	AGKYOODUQOEVHZ-UHFFFAOYSA-N	-1	0	417.454	2.275	50	0		HEAARM
CN1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(I)c2)C1=O	ZINC000009311584	557836313	/nfs/dbraw/zinc/83/63/13/557836313.db2.gz	CGAOXTPFPBYJMK-BJMVGYQFSA-N	-1	0	419.196	2.421	50	0		HEAARM
CC(=O)N1c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc2C[C@H]1C	ZINC000013460149	558263859	/nfs/dbraw/zinc/26/38/59/558263859.db2.gz	UYLLRZONOQHQGE-FZKQIMNGSA-N	-1	0	402.472	2.478	50	0		HEAARM
O=C([O-])C[C@H](CNC(=O)CCn1nnc2ccccc2c1=O)c1ccc(Cl)cc1	ZINC000020426247	558362086	/nfs/dbraw/zinc/36/20/86/558362086.db2.gz	NWAPRBKODBKJPW-CQSZACIVSA-N	-1	0	414.849	2.210	50	0		HEAARM
CCc1c2c(cc(=O)n1CCCN1CCOCC1)[n-]n(-c1cc(F)ccc1F)c2=O	ZINC000012866996	558482098	/nfs/dbraw/zinc/48/20/98/558482098.db2.gz	CYIITHFCXXBOEQ-UHFFFAOYSA-N	-1	0	418.444	2.043	50	0		HEAARM
CC(=O)N1CCCc2cc(S(=O)(=O)N3CCc4cc(C(=O)[O-])ccc43)ccc21	ZINC000013278495	558528620	/nfs/dbraw/zinc/52/86/20/558528620.db2.gz	GXEYIOHMWRRZLM-UHFFFAOYSA-N	-1	0	400.456	2.435	50	0		HEAARM
CC(C)c1ccccc1NS(=O)(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)CO2	ZINC000022990115	558529482	/nfs/dbraw/zinc/52/94/82/558529482.db2.gz	JWAKFNJGMWBJSQ-UHFFFAOYSA-N	-1	0	404.444	2.421	50	0		HEAARM
CCNc1nnc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1	ZINC000013405879	558531720	/nfs/dbraw/zinc/53/17/20/558531720.db2.gz	YUCVHKYMKSWHQW-ZDUSSCGKSA-N	-1	0	405.505	2.355	50	0		HEAARM
CC(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-]	ZINC000023701936	558568568	/nfs/dbraw/zinc/56/85/68/558568568.db2.gz	GQRJHHYSFUQMEK-CQSZACIVSA-N	-1	0	402.900	2.354	50	0		HEAARM
O=C(c1ccc([O-])c(Cl)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1	ZINC000024243673	558593060	/nfs/dbraw/zinc/59/30/60/558593060.db2.gz	ZMCMKAAOCHGNIX-UHFFFAOYSA-N	-1	0	404.879	2.073	50	0		HEAARM
O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000014870397	558675268	/nfs/dbraw/zinc/67/52/68/558675268.db2.gz	FNNMWOGPFQRCGJ-CQSZACIVSA-N	-1	0	418.471	2.167	50	0		HEAARM
CCNC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccsc3C(=O)OC)cc21	ZINC000072301076	558751123	/nfs/dbraw/zinc/75/11/23/558751123.db2.gz	PFLGYQFBXINIQX-UHFFFAOYSA-N	-1	0	409.489	2.428	50	0		HEAARM
CN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])c(I)c2)C1=O	ZINC000015799785	558753779	/nfs/dbraw/zinc/75/37/79/558753779.db2.gz	CGAOXTPFPBYJMK-YHYXMXQVSA-N	-1	0	419.196	2.421	50	0		HEAARM
COC(=O)CNC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[n-]1	ZINC000015952031	558763878	/nfs/dbraw/zinc/76/38/78/558763878.db2.gz	XWDFJRXRPCXKBR-UHFFFAOYSA-N	-1	0	422.513	2.298	50	0		HEAARM
CSCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002983208	558780190	/nfs/dbraw/zinc/78/01/90/558780190.db2.gz	FCZDJBFXGSPBAZ-QZTJIDSGSA-N	-1	0	400.500	2.350	50	0		HEAARM
COCCCN1C(=O)[N-]C(=O)C(=C2C[C@@H](c3ccc(Cl)cc3)N(C(C)=O)N2)C1=O	ZINC000017028571	558812487	/nfs/dbraw/zinc/81/24/87/558812487.db2.gz	JPMAFFJEMGNVKR-RIBQPWQFSA-N	-1	0	420.853	2.347	50	0		HEAARM
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1	ZINC000017092280	558820838	/nfs/dbraw/zinc/82/08/38/558820838.db2.gz	BPZIQUHWZSXTFP-OALUTQOASA-N	-1	0	420.531	2.310	50	0		HEAARM
CCOC(=O)COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc1OC	ZINC000000678069	558829976	/nfs/dbraw/zinc/82/99/76/558829976.db2.gz	QKUYTDUGADCVIP-MHWRWJLKSA-N	-1	0	414.389	2.238	50	0		HEAARM
CC1=C(C)C[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C(=O)[O-])C1	ZINC000000915944	558835937	/nfs/dbraw/zinc/83/59/37/558835937.db2.gz	KIANNQQHPVDFSC-QZTJIDSGSA-N	-1	0	422.503	2.093	50	0		HEAARM
COc1ccccc1CNC(=O)Cn1c([O-])nc2c(-c3ccccc3)c[nH]c2c1=O	ZINC000033037969	558862453	/nfs/dbraw/zinc/86/24/53/558862453.db2.gz	SNBYQCOZJRYQAE-UHFFFAOYSA-N	-1	0	404.426	2.422	50	0		HEAARM
COC(=O)c1ccccc1NC(=O)C[C@@]1(C(=O)[O-])CC(c2ccc(OC)cc2)=NO1	ZINC000072326192	558862820	/nfs/dbraw/zinc/86/28/20/558862820.db2.gz	JEWWKSRPHQUVBH-OAQYLSRUSA-N	-1	0	412.398	2.458	50	0	biogenic	HEAARM
COc1cccc2c1c(N)nn2-c1cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c1	ZINC000071771334	558911282	/nfs/dbraw/zinc/91/12/82/558911282.db2.gz	AWMFEZHDUHKDKI-UHFFFAOYSA-N	-1	0	404.448	2.001	50	0		HEAARM
CCOC(=O)c1ccc(NC(=O)c2n[nH]nc2[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000004635094	558945392	/nfs/dbraw/zinc/94/53/92/558945392.db2.gz	ZPOYCSMXHUROCY-UHFFFAOYSA-N	-1	0	415.431	2.035	50	0		HEAARM
COc1ccc(S(=O)(=O)N2CCCC2)cc1[N-]S(=O)(=O)c1cccs1	ZINC000067620735	558989558	/nfs/dbraw/zinc/98/95/58/558989558.db2.gz	BZAVUXPLDPIELJ-UHFFFAOYSA-N	-1	0	402.519	2.342	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H](O)CC(C)C)CC3)no1	ZINC000077440189	559005424	/nfs/dbraw/zinc/00/54/24/559005424.db2.gz	LQAIDXJYAFJOPD-QGZVFWFLSA-N	-1	0	407.492	2.076	50	0		HEAARM
CCCCCn1c(=O)c2ccc(C(=O)NCCCN3CCOCC3)cc2[n-]c1=S	ZINC000023114531	559012638	/nfs/dbraw/zinc/01/26/38/559012638.db2.gz	QWUHNEUCKLZZFI-UHFFFAOYSA-N	-1	0	418.563	2.328	50	0		HEAARM
Cn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)nnc1-c1cnccn1	ZINC000004772664	559058124	/nfs/dbraw/zinc/05/81/24/559058124.db2.gz	FRJYFDFCGMRKJN-UHFFFAOYSA-N	-1	0	404.839	2.355	50	0		HEAARM
CCOC(=O)[C@H](Cc1nnn[n-]1)NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000095630442	559087736	/nfs/dbraw/zinc/08/77/36/559087736.db2.gz	LYPYGRJZPLDXAI-SFHVURJKSA-N	-1	0	407.430	2.213	50	0		HEAARM
CCOC(=O)Cc1csc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)n1	ZINC000100613800	559136949	/nfs/dbraw/zinc/13/69/49/559136949.db2.gz	GXOBHXLGXMTPNT-UHFFFAOYSA-N	-1	0	413.455	2.468	50	0		HEAARM
CN1C([O-])=C(C(=O)Nc2ccc(Br)cc2)c2ccccc2S1(=O)=O	ZINC000101359953	559146602	/nfs/dbraw/zinc/14/66/02/559146602.db2.gz	ZZOLDMNALGVGAO-CQSZACIVSA-N	-1	0	409.261	2.332	50	0		HEAARM
COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)C=CC(=O)[O-])C2=O)cc1	ZINC000033396387	559160942	/nfs/dbraw/zinc/16/09/42/559160942.db2.gz	LTKZBUONMLKFLN-JZHDPFOFSA-N	-1	0	422.437	2.039	50	0		HEAARM
COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N[C@@H](CCSC)C(=O)[O-])cc1	ZINC000004976770	559222079	/nfs/dbraw/zinc/22/20/79/559222079.db2.gz	JPIGLHDGUKAERX-JORMNFRLSA-N	-1	0	418.471	2.382	50	0		HEAARM
CCOc1ccc(C(=O)Nc2c(N)nc(S[C@H](CC)C(=O)OC)[n-]c2=O)cc1	ZINC000005082071	559242710	/nfs/dbraw/zinc/24/27/10/559242710.db2.gz	BIVQOFSBUYBGPA-GFCCVEGCSA-N	-1	0	406.464	2.047	50	0		HEAARM
COC(=O)C[C@H](c1cccnc1)c1c(=O)nc2ccc(Br)cn2c1[O-]	ZINC000206255544	560555530	/nfs/dbraw/zinc/55/55/30/560555530.db2.gz	QKPKVTGCFKHOEZ-GFCCVEGCSA-N	-1	0	404.220	2.253	50	0		HEAARM
O=C1[N-]C(=O)C2(C(=O)N1)[C@@H](c1ccc(F)cc1)NC(=S)N[C@H]2c1ccc(F)cc1	ZINC000017968943	560732717	/nfs/dbraw/zinc/73/27/17/560732717.db2.gz	CKNSBQHSRAPRDG-OKILXGFUSA-N	-1	0	416.409	2.418	50	0		HEAARM
O=C([O-])c1ccccc1NC(=S)N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl	ZINC000003147733	560739562	/nfs/dbraw/zinc/73/95/62/560739562.db2.gz	UXFRDBFGCHYPES-SNVBAGLBSA-N	-1	0	402.662	2.453	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942583	560763482	/nfs/dbraw/zinc/76/34/82/560763482.db2.gz	KVTHYQGSNCKZAW-IEBWSBKVSA-N	-1	0	407.426	2.301	50	0		HEAARM
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100946863	560763542	/nfs/dbraw/zinc/76/35/42/560763542.db2.gz	OIXQBWWUZLQPJW-NVXWUHKLSA-N	-1	0	413.817	2.256	50	0		HEAARM
Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000101083565	560773175	/nfs/dbraw/zinc/77/31/75/560773175.db2.gz	ZAEVOYHFMFTLEO-PMACEKPBSA-N	-1	0	405.458	2.221	50	0		HEAARM
COc1cc(OC)c(OC)cc1CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000018157214	560780437	/nfs/dbraw/zinc/78/04/37/560780437.db2.gz	BFYIGRNZBDMMIS-UHFFFAOYSA-N	-1	0	415.471	2.178	50	0		HEAARM
COc1c2c(cc3c1[C@@H](c1c([O-])[nH]c(=S)n(C4CC4)c1=O)N(C)CC3)OCO2	ZINC000018210644	560784545	/nfs/dbraw/zinc/78/45/45/560784545.db2.gz	NSKCYNSTAYDPOK-AWEZNQCLSA-N	-1	0	403.460	2.261	50	0	biogenic	HEAARM
COc1ccc(C)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2	ZINC000101166625	560787389	/nfs/dbraw/zinc/78/73/89/560787389.db2.gz	WOYULJCIKSXXKA-ROUUACIJSA-N	-1	0	411.393	2.075	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cccc(Cl)c1	ZINC000101387945	560793903	/nfs/dbraw/zinc/79/39/03/560793903.db2.gz	IHZJRGWYGHJROO-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1	ZINC000101416504	560794689	/nfs/dbraw/zinc/79/46/89/560794689.db2.gz	UXFKMSQYXUGKLD-RTBURBONSA-N	-1	0	407.430	2.244	50	0		HEAARM
CC(=O)N1N=C(c2c([O-])[nH]c(=O)n(-c3ccccc3C)c2=O)C[C@@H]1c1ccccc1	ZINC000101456660	560795641	/nfs/dbraw/zinc/79/56/41/560795641.db2.gz	KIMNIPHLMNSKFN-GOSISDBHSA-N	-1	0	404.426	2.237	50	0		HEAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1cccs1	ZINC000101765227	560799428	/nfs/dbraw/zinc/79/94/28/560799428.db2.gz	QYIWDFDSGFNIJY-HNNXBMFYSA-N	-1	0	424.482	2.440	50	0		HEAARM
Cc1cc(C)cc(-n2c(=O)[nH]c([O-])c(C3=NN[C@H](c4ccc5c(c4)OCO5)C3)c2=O)c1	ZINC000101763019	560800900	/nfs/dbraw/zinc/80/09/00/560800900.db2.gz	XGAILSNNALYUJT-HNNXBMFYSA-N	-1	0	420.425	2.016	50	0		HEAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NC45CC6CC(CC(C6)C4)C5)c=3c2=O)cc1	ZINC000102571914	560816673	/nfs/dbraw/zinc/81/66/73/560816673.db2.gz	SQICYISCEOMYRG-SRDOPONQSA-N	-1	0	421.501	2.373	50	0		HEAARM
Cc1ccccc1OCC(=O)Nc1ccc(OCc2cc(=O)n3nc[n-]c3n2)cc1	ZINC000102621569	560818335	/nfs/dbraw/zinc/81/83/35/560818335.db2.gz	ZAWJZCCPUOQQIL-UHFFFAOYSA-N	-1	0	405.414	2.323	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccccc1Cl	ZINC000103085971	560837709	/nfs/dbraw/zinc/83/77/09/560837709.db2.gz	GWNWEJPOMYQWGR-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(F)cc1CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1	ZINC000049609517	568452594	/nfs/dbraw/zinc/45/25/94/568452594.db2.gz	VDZGDEZVQNCKTE-UHFFFAOYSA-N	-1	0	414.480	2.101	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)cc4)c=3c2=O)cc1	ZINC000006770182	568459183	/nfs/dbraw/zinc/45/91/83/568459183.db2.gz	MYHKIHCHFKDSCS-MOPGFXCFSA-N	-1	0	407.430	2.190	50	0		HEAARM
CON(C)C(=O)c1cccc(NC(=O)Cc2sc(N3CCCCC3)nc2O)c1	ZINC000024454647	568511860	/nfs/dbraw/zinc/51/18/60/568511860.db2.gz	CZYJTRFFYACQCO-OAHLLOKOSA-N	-1	0	404.492	2.133	50	0		HEAARM
COc1ccccc1C[C@@H](CNC(=O)[C@H]1CCCN1C(=O)c1cccs1)C(=O)[O-]	ZINC000095464093	568622362	/nfs/dbraw/zinc/62/23/62/568622362.db2.gz	ONJZOCPWDUXEDY-JKSUJKDBSA-N	-1	0	416.499	2.421	50	0		HEAARM
CON(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000095463961	568622376	/nfs/dbraw/zinc/62/23/76/568622376.db2.gz	BIEZJTDBIVXZSI-OAHLLOKOSA-N	-1	0	412.851	2.078	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1	ZINC000095481488	568633604	/nfs/dbraw/zinc/63/36/04/568633604.db2.gz	BWHGNSYALJOVLF-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
Cc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)nc1	ZINC000020933114	568651768	/nfs/dbraw/zinc/65/17/68/568651768.db2.gz	CSIQILVQOLLPQU-UHFFFAOYSA-N	-1	0	408.439	2.382	50	0		HEAARM
CCc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1C(=O)N1CCOCC1	ZINC000021154264	568673173	/nfs/dbraw/zinc/67/31/73/568673173.db2.gz	HEOYUYFZBNBXNI-UHFFFAOYSA-N	-1	0	405.520	2.478	50	0		HEAARM
COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000096115315	568694822	/nfs/dbraw/zinc/69/48/22/568694822.db2.gz	HWPAZKDRDPFDQE-GFCCVEGCSA-N	-1	0	404.806	2.463	50	0	biogenic	HEAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(-n3nc(C)cc3C)n2)cc1	ZINC000000857345	568713215	/nfs/dbraw/zinc/71/32/15/568713215.db2.gz	DLKNBBBRTLLJSJ-UHFFFAOYSA-N	-1	0	400.464	2.347	50	0		HEAARM
Cc1ccccc1N1CCCN(C(=O)CC[C@]2(CCC(=O)[O-])CCC(=O)N2)CC1	ZINC000230472531	568717214	/nfs/dbraw/zinc/71/72/14/568717214.db2.gz	OXAUPRUKTMIWTB-QFIPXVFZSA-N	-1	0	401.507	2.328	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2cc(F)cc(F)c2)cc1	ZINC000096361269	568739319	/nfs/dbraw/zinc/73/93/19/568739319.db2.gz	LKIGLJSTAMZMTF-UHFFFAOYSA-N	-1	0	422.413	2.427	50	0		HEAARM
Cc1ccccc1N1CCN(C(=O)c2snc3c2nc([O-])n(C(C)C)c3=O)CC1	ZINC000096396700	568745251	/nfs/dbraw/zinc/74/52/51/568745251.db2.gz	LFPWMXXFAWQIPJ-UHFFFAOYSA-N	-1	0	413.503	2.410	50	0		HEAARM
CCOC(=O)N1CCN([C@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1	ZINC000022609578	568771733	/nfs/dbraw/zinc/77/17/33/568771733.db2.gz	AKLDJKUKBPBBEH-AWEZNQCLSA-N	-1	0	405.455	2.499	50	0		HEAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccc1-n1cnnn1	ZINC000055601839	568780408	/nfs/dbraw/zinc/78/04/08/568780408.db2.gz	WTZUWBDYCGAFHX-UHFFFAOYSA-N	-1	0	410.253	2.234	50	0		HEAARM
CCOc1ccc(Cn2cc([N-]S(=O)(=O)c3cnn(C)c3)cn2)cc1OCC	ZINC000002804857	568811528	/nfs/dbraw/zinc/81/15/28/568811528.db2.gz	ATDRYCPTFWHOCW-UHFFFAOYSA-N	-1	0	405.480	2.263	50	0		HEAARM
CCn1cc([N-]S(=O)(=O)c2c(C)nn(C(F)F)c2C)c(C(=O)NCC(C)C)n1	ZINC000002804456	568811649	/nfs/dbraw/zinc/81/16/49/568811649.db2.gz	HOGQIWBZHICXMD-UHFFFAOYSA-N	-1	0	418.470	2.298	50	0		HEAARM
COc1ccc(OC)c(N(CC(=O)[O-])S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000002915294	568816242	/nfs/dbraw/zinc/81/62/42/568816242.db2.gz	RYFUDYQAKJEQOC-UHFFFAOYSA-N	-1	0	411.432	2.001	50	0		HEAARM
CC(C)OCCCNC(=O)CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3	ZINC000002974446	568832367	/nfs/dbraw/zinc/83/23/67/568832367.db2.gz	BOZZLOPYQCKVPP-UHFFFAOYSA-N	-1	0	407.492	2.499	50	0		HEAARM
O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)c1	ZINC000012541966	568848760	/nfs/dbraw/zinc/84/87/60/568848760.db2.gz	RFPKKVVOPAOSHT-UHFFFAOYSA-N	-1	0	424.500	2.360	50	0		HEAARM
CC1CCN(S(=O)(=O)c2cc(C(=O)N3CCC(C(=O)[O-])CC3)ccc2F)CC1	ZINC000016623994	568928554	/nfs/dbraw/zinc/92/85/54/568928554.db2.gz	ZISZQWDTXWRNKH-UHFFFAOYSA-N	-1	0	412.483	2.183	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281894	568959128	/nfs/dbraw/zinc/95/91/28/568959128.db2.gz	KVTHYQGSNCKZAW-HKUYNNGSSA-N	-1	0	407.426	2.301	50	0		HEAARM
CC(=O)Nc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1	ZINC000004306519	568960574	/nfs/dbraw/zinc/96/05/74/568960574.db2.gz	ZDTNBLWWNBDVRG-UHFFFAOYSA-N	-1	0	404.473	2.487	50	0		HEAARM
CCOC(=O)c1sc([N-]N=c2c(=O)c3ccccc3c2=O)c(C(=O)OCC)c1C	ZINC000001749551	569051859	/nfs/dbraw/zinc/05/18/59/569051859.db2.gz	RJWHZLNEUGATBY-UHFFFAOYSA-N	-1	0	414.439	2.087	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000006624129	569075485	/nfs/dbraw/zinc/07/54/85/569075485.db2.gz	BSXPESPJBOPAOJ-XKQJLSEDSA-N	-1	0	415.494	2.206	50	0	biogenic	HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1	ZINC000006770208	569115946	/nfs/dbraw/zinc/11/59/46/569115946.db2.gz	IGPGRHVPHDSXCR-QZTJIDSGSA-N	-1	0	411.393	2.156	50	0		HEAARM
COc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3ccccc3F)s2)cc1	ZINC000064991648	569149094	/nfs/dbraw/zinc/14/90/94/569149094.db2.gz	NJEBRCCUOUWUNV-UHFFFAOYSA-N	-1	0	422.463	2.417	50	0		HEAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2ccccc21	ZINC000036358602	569150207	/nfs/dbraw/zinc/15/02/07/569150207.db2.gz	RLQNQKXPWIZCSU-OAQYLSRUSA-N	-1	0	408.458	2.064	50	0		HEAARM
O=CN1CC[NH+]([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036365095	569152223	/nfs/dbraw/zinc/15/22/23/569152223.db2.gz	UZLSUEPIASZWJX-NRFANRHFSA-N	-1	0	421.453	2.288	50	0		HEAARM
O=C(COC(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1ccc(F)cc1	ZINC000006914296	569179955	/nfs/dbraw/zinc/17/99/55/569179955.db2.gz	ZZZDDCQEOKQUQE-UHFFFAOYSA-N	-1	0	405.407	2.110	50	0		HEAARM
CCc1nnc(-c2cc(S(=O)(=O)[N-]c3cc(OC)c(OC)c(OC)c3)cn2C)o1	ZINC000065112300	569180628	/nfs/dbraw/zinc/18/06/28/569180628.db2.gz	BNIBZHJUQDKJBD-UHFFFAOYSA-N	-1	0	422.463	2.464	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)N[C@H](C)CO)cc3s2)cc1	ZINC000036575584	569201009	/nfs/dbraw/zinc/20/10/09/569201009.db2.gz	OOFLCGMUKXZLDT-LLVKDONJSA-N	-1	0	421.500	2.216	50	0		HEAARM
COC(=O)c1n[nH]cc1NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1	ZINC000170610062	569245475	/nfs/dbraw/zinc/24/54/75/569245475.db2.gz	UDBNBENLIIAHMO-UHFFFAOYSA-N	-1	0	406.445	2.311	50	0		HEAARM
Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](CC[S@@](C)=O)C(=O)[O-])c(C)c3cc12	ZINC000002120127	569284911	/nfs/dbraw/zinc/28/49/11/569284911.db2.gz	VRINVXPZWWHUEC-WNNBVUDTSA-N	-1	0	419.455	2.037	50	0	biogenic	HEAARM
Cc1ccncc1[N-]S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br	ZINC000252482787	569289064	/nfs/dbraw/zinc/28/90/64/569289064.db2.gz	DNTRHTCMPDEOBR-UHFFFAOYSA-N	-1	0	405.295	2.357	50	0		HEAARM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCC[C@@H]21	ZINC000059870001	569359125	/nfs/dbraw/zinc/35/91/25/569359125.db2.gz	HDACQVRGBOVJII-LGKHCZOZSA-N	-1	0	416.518	2.383	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000012664461	569402724	/nfs/dbraw/zinc/40/27/24/569402724.db2.gz	BSXPESPJBOPAOJ-COXVUDFISA-N	-1	0	415.494	2.206	50	0	biogenic	HEAARM
CCCn1nc(-n2cnnc2)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1C	ZINC000013365596	569412194	/nfs/dbraw/zinc/41/21/94/569412194.db2.gz	HROQDFKBOYDFNK-UHFFFAOYSA-N	-1	0	406.468	2.000	50	0		HEAARM
CC[C@@H](C)[C@@H](C(=O)NCC1CCC(C(=O)[O-])CC1)n1nnc2ccccc2c1=O	ZINC000008671823	571100479	/nfs/dbraw/zinc/10/04/79/571100479.db2.gz	USUQFNCQIMZJIS-RMYJWEKJSA-N	-1	0	400.479	2.386	50	0		HEAARM
O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1nc(N2CCCCC2)ncc1Cl	ZINC000040135728	571188950	/nfs/dbraw/zinc/18/89/50/571188950.db2.gz	UKZUKJHCURHBNK-UHFFFAOYSA-N	-1	0	406.874	2.020	50	0		HEAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	ZINC000008991093	571206852	/nfs/dbraw/zinc/20/68/52/571206852.db2.gz	ALYKQAJYQFMCTF-FQEVSTJZSA-N	-1	0	420.469	2.331	50	0		HEAARM
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@]3(C2)C(=O)Nc2ccccc23)cc1OC	ZINC000009184555	571234723	/nfs/dbraw/zinc/23/47/23/571234723.db2.gz	FZPQLWADJCAWEZ-QFIPXVFZSA-N	-1	0	423.425	2.353	50	0		HEAARM
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c(C(=O)OC)c1C	ZINC000009468261	571261313	/nfs/dbraw/zinc/26/13/13/571261313.db2.gz	ACUGVLXGKGWUSR-UHFFFAOYSA-N	-1	0	412.489	2.497	50	0		HEAARM
CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])n2)cc1	ZINC000071333612	571292824	/nfs/dbraw/zinc/29/28/24/571292824.db2.gz	ZRKYEUYYBQIQDB-LJQANCHMSA-N	-1	0	423.494	2.444	50	0		HEAARM
CCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2)CC1	ZINC000032947017	519876915	/nfs/dbraw/zinc/87/69/15/519876915.db2.gz	KDBJMTRIAZZVTG-UHFFFAOYSA-N	-1	0	424.501	2.285	50	0		HEAARM
COc1ccc(C(=O)N2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)c(C)c1	ZINC000072419812	523629857	/nfs/dbraw/zinc/62/98/57/523629857.db2.gz	CEBMEZXLEKQKJC-GOSISDBHSA-N	-1	0	400.475	2.322	50	0		HEAARM
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-]	ZINC000040286474	526573945	/nfs/dbraw/zinc/57/39/45/526573945.db2.gz	QUIGUWIWOKFGNX-GFCCVEGCSA-N	-1	0	410.883	2.403	50	0		HEAARM
CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)[O-])c1ccccc1	ZINC000009128647	535090823	/nfs/dbraw/zinc/09/08/23/535090823.db2.gz	JTYNHVNTPCNIHJ-OALUTQOASA-N	-1	0	424.457	2.121	50	0		HEAARM
COC(=O)c1cc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc(C(=O)OC)c1	ZINC000000862262	557104251	/nfs/dbraw/zinc/10/42/51/557104251.db2.gz	DBMKPEWOSZZTBL-UHFFFAOYSA-N	-1	0	406.416	2.079	50	0		HEAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(OC)n1	ZINC000001045347	557156151	/nfs/dbraw/zinc/15/61/51/557156151.db2.gz	DQOZFKWKEFZPOO-UHFFFAOYSA-N	-1	0	404.404	2.140	50	0		HEAARM
Cc1c(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C	ZINC000004809387	557599723	/nfs/dbraw/zinc/59/97/23/557599723.db2.gz	FTLCFWSPAAXLSP-UHFFFAOYSA-N	-1	0	400.460	2.108	50	0		HEAARM
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000005378510	557649673	/nfs/dbraw/zinc/64/96/73/557649673.db2.gz	TZSSSBJFSDMCJE-SFHVURJKSA-N	-1	0	401.444	2.101	50	0	biogenic	HEAARM
CCc1nc2sc([C@H](c3ccc(F)cc3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855113	557842336	/nfs/dbraw/zinc/84/23/36/557842336.db2.gz	BXVPEMWZTPACOD-INIZCTEOSA-N	-1	0	403.483	2.451	50	0		HEAARM
CC(=O)N1c2ccc(S(=O)(=O)N3CCc4cc(C(=O)[O-])ccc43)cc2C[C@@H]1C	ZINC000013460282	558533052	/nfs/dbraw/zinc/53/30/52/558533052.db2.gz	MIZSRTUBRHRSRQ-LBPRGKRZSA-N	-1	0	400.456	2.434	50	0		HEAARM
CCC(=O)N1N/C(=C2/C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)C[C@H]1c1cccs1	ZINC000013591380	558546206	/nfs/dbraw/zinc/54/62/06/558546206.db2.gz	MNSDUYMGXCQADP-LSVCFVEQSA-N	-1	0	424.482	2.469	50	0		HEAARM
O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc21	ZINC000017081845	558813792	/nfs/dbraw/zinc/81/37/92/558813792.db2.gz	OLUQOMNJKBXIFQ-TUHYSUIHSA-N	-1	0	400.435	2.135	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)c1	ZINC000060349333	558860081	/nfs/dbraw/zinc/86/00/81/558860081.db2.gz	IOXKZHNAAZELLX-GOSISDBHSA-N	-1	0	415.471	2.348	50	0		HEAARM
O=C([O-])c1cc(-c2ccc(F)c(CO)c2)cc(S(=O)(=O)N2CCSCC2)c1	ZINC000072153346	558929787	/nfs/dbraw/zinc/92/97/87/558929787.db2.gz	IZDVVIHWOUOXHZ-UHFFFAOYSA-N	-1	0	411.476	2.421	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1	ZINC000100036856	559129109	/nfs/dbraw/zinc/12/91/09/559129109.db2.gz	IYUFIHGJRTZFMW-OALUTQOASA-N	-1	0	407.430	2.244	50	0		HEAARM
CN1C([O-])=C(C(=O)Nc2ccc(Br)cc2)c2ccccc2S1(=O)=O	ZINC000101359958	559146588	/nfs/dbraw/zinc/14/65/88/559146588.db2.gz	ZZOLDMNALGVGAO-AWEZNQCLSA-N	-1	0	409.261	2.332	50	0		HEAARM
CC(C)NC(=O)Cc1ccc(N[C@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000101911059	559148407	/nfs/dbraw/zinc/14/84/07/559148407.db2.gz	PPJFLFPOMNHWIF-SFHVURJKSA-N	-1	0	409.442	2.196	50	0		HEAARM
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(=O)nc2ccccn2c1[O-]	ZINC000205946208	559177693	/nfs/dbraw/zinc/17/76/93/559177693.db2.gz	ATBAGUATCPSCAJ-ZDUSSCGKSA-N	-1	0	414.414	2.121	50	0		HEAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCCS2(=O)=O)c1	ZINC000005075756	559240840	/nfs/dbraw/zinc/24/08/40/559240840.db2.gz	USSUPFONNKUPCQ-UHFFFAOYSA-N	-1	0	400.453	2.175	50	0		HEAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)c1	ZINC000005075752	559240895	/nfs/dbraw/zinc/24/08/95/559240895.db2.gz	ZNERJVBKBIJRIM-UHFFFAOYSA-N	-1	0	412.489	2.045	50	0		HEAARM
O=C1CCS(=O)(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1	ZINC000011906375	559266745	/nfs/dbraw/zinc/26/67/45/559266745.db2.gz	WRNQNEWBSCJKSM-UHFFFAOYSA-N	-1	0	417.468	2.102	50	0		HEAARM
CCOc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2	ZINC000101167492	560546391	/nfs/dbraw/zinc/54/63/91/560546391.db2.gz	XCDJPWVSBGACQK-MSOLQXFVSA-N	-1	0	411.393	2.156	50	0		HEAARM
CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1	ZINC000005573199	560624058	/nfs/dbraw/zinc/62/40/58/560624058.db2.gz	WWXIXCCJJQOMBG-LBPRGKRZSA-N	-1	0	419.459	2.201	50	0		HEAARM
CCCc1cc(=O)[nH]c(SCC(=O)N(C)CC(=O)Nc2ccccc2CC)n1	ZINC000018193118	560782139	/nfs/dbraw/zinc/78/21/39/560782139.db2.gz	KEGXLSHDFMATSU-UHFFFAOYSA-N	-1	0	402.520	2.474	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)cc1	ZINC000101165945	560787319	/nfs/dbraw/zinc/78/73/19/560787319.db2.gz	LNARJVUSSGFAFN-RBUKOAKNSA-N	-1	0	423.429	2.026	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccccc1Cl	ZINC000101166574	560787405	/nfs/dbraw/zinc/78/74/05/560787405.db2.gz	UCLTYJMPXLVNGY-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
Cc1ccc(S(=O)(=O)N(Cc2nn3c([n-]2)nc(C)cc3=O)c2ccccc2)cc1	ZINC000101582371	560797077	/nfs/dbraw/zinc/79/70/77/560797077.db2.gz	GINQMQWTQDJQKA-UHFFFAOYSA-N	-1	0	409.471	2.430	50	0		HEAARM
CCOc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccccc3OC)c2=O)=NN1	ZINC000101762848	560800833	/nfs/dbraw/zinc/80/08/33/560800833.db2.gz	IGLMVHDQEAYAMY-AWEZNQCLSA-N	-1	0	422.441	2.077	50	0		HEAARM
COC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1	ZINC000108377840	568418495	/nfs/dbraw/zinc/41/84/95/568418495.db2.gz	YRJMWZRQTVQXIV-ZMPRRUGASA-N	-1	0	420.506	2.465	50	0		HEAARM
C[C@H](Sc1nccn1C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000020979131	568460834	/nfs/dbraw/zinc/46/08/34/568460834.db2.gz	OIBPNFMOFNHRQG-LBPRGKRZSA-N	-1	0	418.504	2.130	50	0		HEAARM
COc1ccc(CCN2C(=O)C[C@H](Sc3ncccc3C(=O)[O-])C2=O)cc1OC	ZINC000000799965	568483642	/nfs/dbraw/zinc/48/36/42/568483642.db2.gz	QRLZSKWYTPMQKP-INIZCTEOSA-N	-1	0	416.455	2.259	50	0		HEAARM
Cc1cccc(N2CCN(C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1C	ZINC000219029251	568486047	/nfs/dbraw/zinc/48/60/47/568486047.db2.gz	XLLYNPQIZFZDPT-QFIPXVFZSA-N	-1	0	401.507	2.246	50	0		HEAARM
COc1ccccc1C[C@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)[O-]	ZINC000095464092	568622333	/nfs/dbraw/zinc/62/23/33/568622333.db2.gz	ONJZOCPWDUXEDY-CVEARBPZSA-N	-1	0	416.499	2.421	50	0		HEAARM
CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578220	568770473	/nfs/dbraw/zinc/77/04/73/568770473.db2.gz	JWQXQCLIWPVPOW-INIZCTEOSA-N	-1	0	421.954	2.412	50	0		HEAARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1	ZINC000226751909	568823362	/nfs/dbraw/zinc/82/33/62/568823362.db2.gz	ODSKMZNLKHAQBH-KBPBESRZSA-N	-1	0	401.488	2.472	50	0		HEAARM
COc1ccccc1[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nccn1C	ZINC000012507786	568839948	/nfs/dbraw/zinc/83/99/48/568839948.db2.gz	LPFXDDLTPKZVPA-KRWDZBQOSA-N	-1	0	401.444	2.195	50	0		HEAARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c(Br)c1	ZINC000012526146	568843038	/nfs/dbraw/zinc/84/30/38/568843038.db2.gz	JFFLLVMEXROJRK-UHFFFAOYSA-N	-1	0	405.295	2.206	50	0		HEAARM
COc1ccc(NC(=O)C2=COCCO2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000012548624	568851606	/nfs/dbraw/zinc/85/16/06/568851606.db2.gz	NCEDUOBIOHGGSH-UHFFFAOYSA-N	-1	0	408.407	2.462	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(OCC(=O)[O-])c1	ZINC000218336594	568929428	/nfs/dbraw/zinc/92/94/28/568929428.db2.gz	VCAAKYIVFALGFK-HNNXBMFYSA-N	-1	0	401.371	2.408	50	0		HEAARM
CSCC[C@H](NC(=O)[C@H](C)NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)[O-]	ZINC000004000252	568932323	/nfs/dbraw/zinc/93/23/23/568932323.db2.gz	FDWDMASCCAPMFS-GWCFXTLKSA-N	-1	0	411.911	2.273	50	0	biogenic	HEAARM
COc1cccc(CNC(=O)CC[C@@H]2N=C3c4ccccc4[N-]C(=S)N3C2=O)c1	ZINC000008210347	568982758	/nfs/dbraw/zinc/98/27/58/568982758.db2.gz	METHDHWPHKGSJL-KRWDZBQOSA-N	-1	0	408.483	2.460	50	0		HEAARM
COc1ccc(S(=O)(=O)NCCNC(=O)c2cc(Cl)c([O-])c(Cl)c2)cc1	ZINC000012930027	569024122	/nfs/dbraw/zinc/02/41/22/569024122.db2.gz	RHRHJJVHRQSDEY-UHFFFAOYSA-N	-1	0	419.286	2.416	50	0		HEAARM
CCn1nc(C)c(CCN(C)c2ncc(NS(=O)(=O)CC)cc2C(=O)[O-])c1C	ZINC000035397861	569034989	/nfs/dbraw/zinc/03/49/89/569034989.db2.gz	JKQSOGNXHLTZKK-UHFFFAOYSA-N	-1	0	409.512	2.054	50	0		HEAARM
CC(C)C(=O)Nc1ccc(N2CCN(CC(=O)NC(C)(C)C)CC2)cc1C(=O)[O-]	ZINC000035482686	569039566	/nfs/dbraw/zinc/03/95/66/569039566.db2.gz	NOPWCDBLVNAJSU-UHFFFAOYSA-N	-1	0	404.511	2.016	50	0		HEAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cnn2c1OCCC2	ZINC000090583820	569041312	/nfs/dbraw/zinc/04/13/12/569041312.db2.gz	HOVIQYYYONGQSA-UHFFFAOYSA-N	-1	0	405.461	2.175	50	0		HEAARM
CCc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(=O)[O-])cc1	ZINC000064461953	569063117	/nfs/dbraw/zinc/06/31/17/569063117.db2.gz	FUFZRAAOVRGJIT-UHFFFAOYSA-N	-1	0	403.504	2.500	50	0		HEAARM
O=C(c1cnn(C(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)c1)c1ccccc1[O-]	ZINC000006553005	569065523	/nfs/dbraw/zinc/06/55/23/569065523.db2.gz	SPAUTOWJHIHGQX-UHFFFAOYSA-N	-1	0	400.394	2.164	50	0		HEAARM
Cc1ccc(C(=O)Nc2ccc(N3CCN(CC(=O)N(C)C)CC3)cc2C(=O)[O-])cc1	ZINC000064589325	569068976	/nfs/dbraw/zinc/06/89/76/569068976.db2.gz	QKKPCBNJOWNUSL-UHFFFAOYSA-N	-1	0	424.501	2.156	50	0		HEAARM
COc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCC[C@H]2C(=O)[O-])C1=O	ZINC000006660393	569083109	/nfs/dbraw/zinc/08/31/09/569083109.db2.gz	XYEHUNGCLLCFRQ-OJNRTJSBSA-N	-1	0	404.444	2.197	50	0		HEAARM
COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@H]3C(=O)[O-])C2=O)c1	ZINC000006660921	569085064	/nfs/dbraw/zinc/08/50/64/569085064.db2.gz	JGFOOXXNDKXMLX-QTNMRXCUSA-N	-1	0	404.444	2.197	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1noc(C)n1	ZINC000064946869	569128522	/nfs/dbraw/zinc/12/85/22/569128522.db2.gz	YOHAVGBZBFNECF-UHFFFAOYSA-N	-1	0	416.415	2.144	50	0		HEAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036358298	569149505	/nfs/dbraw/zinc/14/95/05/569149505.db2.gz	KQVRIBUYBWACAS-FQEVSTJZSA-N	-1	0	408.458	2.215	50	0		HEAARM
Cc1noc(-c2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)s2)c1C	ZINC000065031275	569157347	/nfs/dbraw/zinc/15/73/47/569157347.db2.gz	QNERMCSBZBBZDQ-UHFFFAOYSA-N	-1	0	413.502	2.468	50	0		HEAARM
COc1ccc(CN(C(=O)c2c(C(=O)[O-])cnn2C)c2cnn(CC(F)F)c2)cc1	ZINC000036617528	569208527	/nfs/dbraw/zinc/20/85/27/569208527.db2.gz	XRVPKWHVQHIIKE-UHFFFAOYSA-N	-1	0	419.388	2.436	50	0		HEAARM
CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3n[n-]c(=S)o3)CC2)c1	ZINC000065587935	569236580	/nfs/dbraw/zinc/23/65/80/569236580.db2.gz	DDHOLDJXFWTDOP-UHFFFAOYSA-N	-1	0	414.484	2.189	50	0		HEAARM
Cc1cc(N2C(=O)C[C@H](Sc3ccc(NC(=O)CCC(=O)[O-])cc3)C2=O)no1	ZINC000013578987	569256352	/nfs/dbraw/zinc/25/63/52/569256352.db2.gz	HZUSOIMKRWTVEW-ZDUSSCGKSA-N	-1	0	403.416	2.211	50	0		HEAARM
COc1cc(NC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(C(=O)[O-])cc1OC	ZINC000002125220	569286197	/nfs/dbraw/zinc/28/61/97/569286197.db2.gz	XGJTZPMAFCMZKE-OLZOCXBDSA-N	-1	0	413.430	2.215	50	0	biogenic	HEAARM
COc1cccc(S(N)(=O)=O)c1[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F	ZINC000253415848	569367071	/nfs/dbraw/zinc/36/70/71/569367071.db2.gz	SUSXDUDVWHZIFK-UHFFFAOYSA-N	-1	0	424.422	2.303	50	0		HEAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008738307	571110310	/nfs/dbraw/zinc/11/03/10/571110310.db2.gz	FIVYWKHQPXLMLA-RCBQFDQVSA-N	-1	0	404.467	2.443	50	0	biogenic	HEAARM
Cc1[n-]n2c(nc(SCC(=O)N3C[C@H](C)O[C@@H](C)C3)nc2=O)c1-c1ccccc1	ZINC000009107556	571221890	/nfs/dbraw/zinc/22/18/90/571221890.db2.gz	DZVDTRPSAWRWFK-STQMWFEESA-N	-1	0	413.503	2.121	50	0		HEAARM
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1	ZINC000009246608	571241471	/nfs/dbraw/zinc/24/14/71/571241471.db2.gz	RZDCSWILDKNAAN-UHFFFAOYSA-N	-1	0	414.464	2.346	50	0		HEAARM
COc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1	ZINC000009329600	571248518	/nfs/dbraw/zinc/24/85/18/571248518.db2.gz	HEIQAAVHMUZPEJ-HXUWFJFHSA-N	-1	0	418.453	2.299	50	0	biogenic	HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)NCc1ccccc1	ZINC000009675451	571278854	/nfs/dbraw/zinc/27/88/54/571278854.db2.gz	HPXJDIFMJJJYNA-IRXDYDNUSA-N	-1	0	415.812	2.089	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(F)cc1F	ZINC000009675227	571278861	/nfs/dbraw/zinc/27/88/61/571278861.db2.gz	JKJGGBJUVMZTIU-HZPDHXFCSA-N	-1	0	421.310	2.175	50	0		HEAARM
O=C([O-])[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1	ZINC000003866372	939030817	/nfs/dbraw/zinc/03/08/17/939030817.db2.gz	BJDSFHNZLPENFW-SFHVURJKSA-N	-1	0	402.472	2.417	50	0		HEAARM
COc1ccc(C(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C(N)=O)cc1OC	ZINC000040285003	523591957	/nfs/dbraw/zinc/59/19/57/523591957.db2.gz	UUQPPUCSIPUQQB-UHFFFAOYSA-N	-1	0	420.468	2.386	50	0		HEAARM
O=C([O-])c1cc(Br)ccc1NC(=O)CN1C(=O)c2ccccc2C1=O	ZINC000000716509	557068107	/nfs/dbraw/zinc/06/81/07/557068107.db2.gz	XGMHSUGVJWQBMB-UHFFFAOYSA-N	-1	0	403.188	2.382	50	0		HEAARM
COc1ccc(/C=C(\NC(=O)c2ccc(OC)cc2)C(=O)NCCCC(=O)[O-])cc1	ZINC000002117140	557315696	/nfs/dbraw/zinc/31/56/96/557315696.db2.gz	ZXZDHGOZKSWUDK-RGEXLXHISA-N	-1	0	412.442	2.456	50	0		HEAARM
O=C([O-])c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(c2nccs2)C3=O)cc1	ZINC000002472243	557351043	/nfs/dbraw/zinc/35/10/43/557351043.db2.gz	SKWFGUIPBHXMDE-UHFFFAOYSA-N	-1	0	414.420	2.475	50	0		HEAARM
CS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000002526278	557354661	/nfs/dbraw/zinc/35/46/61/557354661.db2.gz	KJLKPACOHZKRFM-SFHVURJKSA-N	-1	0	403.456	2.413	50	0		HEAARM
O=C([O-])CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br	ZINC000002905663	557425384	/nfs/dbraw/zinc/42/53/84/557425384.db2.gz	AJHAJKJCUQETSJ-GXDHUFHOSA-N	-1	0	407.220	2.404	50	0		HEAARM
COc1ccc(-c2nnc(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)[n-]2)cc1	ZINC000034762744	557460366	/nfs/dbraw/zinc/46/03/66/557460366.db2.gz	OWNJYEPVNLLMNH-UHFFFAOYSA-N	-1	0	408.414	2.231	50	0		HEAARM
O=C([O-])Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1	ZINC000004649207	557575393	/nfs/dbraw/zinc/57/53/93/557575393.db2.gz	WKTXRIKZOQROJV-INIZCTEOSA-N	-1	0	408.410	2.341	50	0		HEAARM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21	ZINC000005650658	557666570	/nfs/dbraw/zinc/66/65/70/557666570.db2.gz	HDACQVRGBOVJII-HTDHLNIYSA-N	-1	0	416.518	2.383	50	0		HEAARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000006730629	557718060	/nfs/dbraw/zinc/71/80/60/557718060.db2.gz	DEVQKDGHVWARPY-NWDGAFQWSA-N	-1	0	420.940	2.125	50	0		HEAARM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ncn(Cc2c(Cl)cccc2Cl)n1	ZINC000002804453	557763575	/nfs/dbraw/zinc/76/35/75/557763575.db2.gz	SJPFSRLNHXYOCE-UHFFFAOYSA-N	-1	0	401.279	2.476	50	0		HEAARM
CCn1ncc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(=O)Nc1cnn(C)c1C	ZINC000002809601	557767773	/nfs/dbraw/zinc/76/77/73/557767773.db2.gz	DGLIKVRSYUSBIE-STQMWFEESA-N	-1	0	402.455	2.027	50	0		HEAARM
CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855137	557842215	/nfs/dbraw/zinc/84/22/15/557842215.db2.gz	YHTDNZRJAJRMIG-QGZVFWFLSA-N	-1	0	415.519	2.321	50	0		HEAARM
CCc1nc2sc([C@H](c3cccc(F)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855110	557842243	/nfs/dbraw/zinc/84/22/43/557842243.db2.gz	PXYFFTKDTTVFKS-INIZCTEOSA-N	-1	0	403.483	2.451	50	0		HEAARM
O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1Br	ZINC000011851835	558289499	/nfs/dbraw/zinc/28/94/99/558289499.db2.gz	VACHCVAPPILYEF-SECBINFHSA-N	-1	0	413.087	2.449	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccccc2)c1	ZINC000020716870	558401622	/nfs/dbraw/zinc/40/16/22/558401622.db2.gz	HSKBABXSBWVVDI-HNAYVOBHSA-N	-1	0	402.472	2.344	50	0		HEAARM
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c1	ZINC000013117733	558516460	/nfs/dbraw/zinc/51/64/60/558516460.db2.gz	VXEFKXMOXMCNLA-UHFFFAOYSA-N	-1	0	420.443	2.049	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21	ZINC000013777515	558592685	/nfs/dbraw/zinc/59/26/85/558592685.db2.gz	UCTABLVRAKRRDT-WMCAYINRSA-N	-1	0	413.433	2.298	50	0		HEAARM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(Oc3cnccn3)c2)cc1	ZINC000024576134	558601604	/nfs/dbraw/zinc/60/16/04/558601604.db2.gz	LVOXVYCVVUASQC-UHFFFAOYSA-N	-1	0	405.457	2.473	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccccc1F	ZINC000004483245	558602895	/nfs/dbraw/zinc/60/28/95/558602895.db2.gz	DKVRTVNPDGWUTK-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000014870395	558675182	/nfs/dbraw/zinc/67/51/82/558675182.db2.gz	FNNMWOGPFQRCGJ-AWEZNQCLSA-N	-1	0	418.471	2.167	50	0		HEAARM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002983209	558780055	/nfs/dbraw/zinc/78/00/55/558780055.db2.gz	FCZDJBFXGSPBAZ-ROUUACIJSA-N	-1	0	400.500	2.350	50	0		HEAARM
O=C(NCCN1CCOCC1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000016489414	558794390	/nfs/dbraw/zinc/79/43/90/558794390.db2.gz	WKFLMIZEUBSDRW-UHFFFAOYSA-N	-1	0	423.922	2.203	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000584906350	558834279	/nfs/dbraw/zinc/83/42/79/558834279.db2.gz	XPFJVRRUJNMMRX-ADAWSYLGSA-N	-1	0	400.479	2.213	50	0		HEAARM
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCC2CCC(C(=O)[O-])CC2)n1	ZINC000049550487	558850225	/nfs/dbraw/zinc/85/02/25/558850225.db2.gz	VRQIMIRIMAJBSM-UHFFFAOYSA-N	-1	0	417.437	2.065	50	0		HEAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O	ZINC000061719716	558946527	/nfs/dbraw/zinc/94/65/27/558946527.db2.gz	RMHUWWNLULOPLZ-SFHVURJKSA-N	-1	0	411.845	2.376	50	0		HEAARM
O=c1c2c(nc3cc(-c4ccccc4)[n-]n31)CCN(S(=O)(=O)c1cccs1)C2	ZINC000097113005	558994968	/nfs/dbraw/zinc/99/49/68/558994968.db2.gz	SVSUXMBOVDIUOT-UHFFFAOYSA-N	-1	0	412.496	2.498	50	0		HEAARM
CCNS(=O)(=O)c1cc(F)ccc1[N-]S(=O)(=O)c1cccc2cccnc21	ZINC000097162348	558998176	/nfs/dbraw/zinc/99/81/76/558998176.db2.gz	OPDPOKIFTIBLBT-UHFFFAOYSA-N	-1	0	409.464	2.473	50	0		HEAARM
CNC(=O)c1ccc(-c2nc3cc([N-]S(=O)(=O)c4c[nH]cn4)ccc3n2C)cc1	ZINC000033276986	559036686	/nfs/dbraw/zinc/03/66/86/559036686.db2.gz	DYAYXIDVDPNVHY-UHFFFAOYSA-N	-1	0	410.459	2.124	50	0		HEAARM
O=C([O-])CC[C@@H]1CN(C(=O)CCC(=O)c2ccccc2)CC[C@@H]1N1CCOCC1	ZINC000095383608	559080748	/nfs/dbraw/zinc/08/07/48/559080748.db2.gz	ZDVNGVQLYJPWIB-MOPGFXCFSA-N	-1	0	402.491	2.064	50	0		HEAARM
COc1cc([C@H](C2=C([O-])COC2=O)c2cc3c(cc2O)OCO3)cc(OC)c1O	ZINC000100695851	559137960	/nfs/dbraw/zinc/13/79/60/559137960.db2.gz	CAILQCQSVWLBGY-KRWDZBQOSA-N	-1	0	402.355	2.345	50	0		HEAARM
COCCNC(Nc1ccccc1)=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O	ZINC000004916180	559204163	/nfs/dbraw/zinc/20/41/63/559204163.db2.gz	RRPSWFANMRTDRQ-MSUUIHNZSA-N	-1	0	414.849	2.483	50	0		HEAARM
COc1ccc(/C=C(\NC(=O)c2ccco2)C(=O)N[C@H](CCSC)C(=O)[O-])cc1	ZINC000004976771	559222070	/nfs/dbraw/zinc/22/20/70/559222070.db2.gz	JPIGLHDGUKAERX-WMJYUBJYSA-N	-1	0	418.471	2.382	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)cc1NC(C)=O	ZINC000005126545	559248046	/nfs/dbraw/zinc/24/80/46/559248046.db2.gz	BEFVONVQJATKOC-UHFFFAOYSA-N	-1	0	403.460	2.347	50	0		HEAARM
COC(=O)C[C@@H](c1cccnc1)c1c(=O)nc2ccc(Br)cn2c1[O-]	ZINC000206255514	560555526	/nfs/dbraw/zinc/55/55/26/560555526.db2.gz	QKPKVTGCFKHOEZ-LBPRGKRZSA-N	-1	0	404.220	2.253	50	0		HEAARM
Cn1nc(C(=O)OCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1=O	ZINC000005416235	560584696	/nfs/dbraw/zinc/58/46/96/560584696.db2.gz	HWZZGAHFEPXBKI-UHFFFAOYSA-N	-1	0	421.453	2.344	50	0		HEAARM
COc1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=O)CCC(=O)[O-])C2=O)cc1	ZINC000018121913	560778263	/nfs/dbraw/zinc/77/82/63/560778263.db2.gz	XDUCGTIOFIHOGA-IBGZPJMESA-N	-1	0	424.453	2.263	50	0		HEAARM
COc1ccc(C)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2	ZINC000101166623	560787419	/nfs/dbraw/zinc/78/74/19/560787419.db2.gz	WOYULJCIKSXXKA-ZWKOTPCHSA-N	-1	0	411.393	2.075	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1	ZINC000101174417	560788010	/nfs/dbraw/zinc/78/80/10/560788010.db2.gz	IGPGRHVPHDSXCR-ZWKOTPCHSA-N	-1	0	411.393	2.156	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4OC)c=3c2=O)cc1	ZINC000101416645	560794710	/nfs/dbraw/zinc/79/47/10/560794710.db2.gz	KMMJPLMKHQTANL-RBUKOAKNSA-N	-1	0	407.430	2.190	50	0		HEAARM
O=C(Nc1ccccc1O)C1CCN([C@@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1	ZINC000101490844	560795965	/nfs/dbraw/zinc/79/59/65/560795965.db2.gz	COWNEYFKDNGWEW-LJQANCHMSA-N	-1	0	407.470	2.370	50	0		HEAARM
COc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)=NN1	ZINC000101763032	560800827	/nfs/dbraw/zinc/80/08/27/560800827.db2.gz	QYWGUNIATTXNSA-MRXNPFEDSA-N	-1	0	406.442	2.296	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(=O)CC)[C@H](c3ccc(OC)cc3)C2)c1[O-]	ZINC000101764832	560801232	/nfs/dbraw/zinc/80/12/32/560801232.db2.gz	LLAKEIBFNVSRGN-INIZCTEOSA-N	-1	0	414.462	2.139	50	0		HEAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1cc(-c2ccc(Cl)cc2)ncc1=O	ZINC000218220901	568476500	/nfs/dbraw/zinc/47/65/00/568476500.db2.gz	WSNYBRJMCQTICR-QGZVFWFLSA-N	-1	0	411.845	2.376	50	0		HEAARM
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)c(Cl)c1	ZINC000022990111	568500947	/nfs/dbraw/zinc/50/09/47/568500947.db2.gz	GEECBIDCBNWWDM-UHFFFAOYSA-N	-1	0	410.835	2.259	50	0		HEAARM
Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@]23C(=O)[O-])cc1C	ZINC000095469537	568625621	/nfs/dbraw/zinc/62/56/21/568625621.db2.gz	AWMITMGFHRFZEU-QFIPXVFZSA-N	-1	0	402.410	2.467	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000096286308	568719157	/nfs/dbraw/zinc/71/91/57/568719157.db2.gz	IJLOHBORACZXQN-SJORKVTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccccc1N(Cc1nn2c([n-]1)nc(C)cc2=O)C(=O)COc1ccccc1	ZINC000096319232	568727479	/nfs/dbraw/zinc/72/74/79/568727479.db2.gz	WWKXCGIXTZZKFK-UHFFFAOYSA-N	-1	0	419.441	2.347	50	0		HEAARM
COc1cccc(S(N)(=O)=O)c1[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl	ZINC000242273670	568732569	/nfs/dbraw/zinc/73/25/69/568732569.db2.gz	YEWSWRMSIFAOSB-UHFFFAOYSA-N	-1	0	408.860	2.244	50	0		HEAARM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccco3)c2)cn1C	ZINC000031668007	568929065	/nfs/dbraw/zinc/92/90/65/568929065.db2.gz	WDYHZYWAQMVRRJ-UHFFFAOYSA-N	-1	0	402.432	2.031	50	0		HEAARM
O=S(=O)(c1ccc2c(c1)S(=O)(=O)[N-]C(c1ccccc1F)=N2)N1CCCCC1	ZINC000015682386	568968675	/nfs/dbraw/zinc/96/86/75/568968675.db2.gz	IMJVQWDAFCRQGR-UHFFFAOYSA-N	-1	0	423.491	2.371	50	0		HEAARM
COc1ccc2c(C)c(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)[O-])c(=O)oc2c1	ZINC000006418395	569046988	/nfs/dbraw/zinc/04/69/88/569046988.db2.gz	REDQCJGVSFJQFC-GOSISDBHSA-N	-1	0	411.410	2.170	50	0		HEAARM
CCOC(=O)CCCc1ccc(C(C)=NN=C2NC(=O)[C@@H](CC(=O)[O-])S2)cc1	ZINC000252637854	569061077	/nfs/dbraw/zinc/06/10/77/569061077.db2.gz	XXMOIKDORPMYBC-OAHLLOKOSA-N	-1	0	405.476	2.359	50	0		HEAARM
COCC(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1C(=O)[O-]	ZINC000064589892	569069117	/nfs/dbraw/zinc/06/91/17/569069117.db2.gz	ALVOLROQYZVVRA-UHFFFAOYSA-N	-1	0	401.438	2.431	50	0		HEAARM
O=C(Cc1cc(=O)[nH][n-]c1=O)N1CC[C@]2(C1)CCCN(CCC1CCCCC1)C2=O	ZINC000426399475	569072751	/nfs/dbraw/zinc/07/27/51/569072751.db2.gz	YDUAHJPVHNEYQZ-QFIPXVFZSA-N	-1	0	416.522	2.242	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4OC)c=3c2=O)cc1	ZINC000006770154	569116048	/nfs/dbraw/zinc/11/60/48/569116048.db2.gz	KMMJPLMKHQTANL-RTBURBONSA-N	-1	0	407.430	2.190	50	0		HEAARM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c1C(=O)[O-]	ZINC000036356870	569148471	/nfs/dbraw/zinc/14/84/71/569148471.db2.gz	IFCLIQDHWIZNAZ-FQEVSTJZSA-N	-1	0	408.458	2.215	50	0		HEAARM
CC(C)C[C@H](C(=O)NCC1CCC(C(=O)[O-])CC1)n1c(=O)[nH]c2ccccc2c1=O	ZINC000006907116	569178468	/nfs/dbraw/zinc/17/84/68/569178468.db2.gz	RRMRYYBQPFUPTK-JTTJXQCZSA-N	-1	0	415.490	2.284	50	0		HEAARM
COc1cc2c(c3oc(=O)c(CC(=O)N[C@H](C)C(=O)[O-])c(C)c13)CCC(C)(C)O2	ZINC000036579988	569202880	/nfs/dbraw/zinc/20/28/80/569202880.db2.gz	MWLZBPRTRQGZCY-LLVKDONJSA-N	-1	0	403.431	2.345	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cc1S(N)(=O)=O	ZINC000007051294	569213573	/nfs/dbraw/zinc/21/35/73/569213573.db2.gz	SNEZVHYOFDXRSB-UHFFFAOYSA-N	-1	0	410.395	2.162	50	0		HEAARM
Cc1ccc(NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2cccs2)cc1F	ZINC000007175004	569227362	/nfs/dbraw/zinc/22/73/62/569227362.db2.gz	XNSSTMSQBDUXEV-LBPRGKRZSA-N	-1	0	414.480	2.434	50	0		HEAARM
CS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nn1	ZINC000007428210	569238524	/nfs/dbraw/zinc/23/85/24/569238524.db2.gz	BLQCZMJLZKHJJC-UHFFFAOYSA-N	-1	0	407.448	2.487	50	0		HEAARM
O=C(CC[C@H]1Cc2ccccc2NC1=O)[N-]S(=O)(=O)N1CCCc2ccccc21	ZINC000170621929	569248521	/nfs/dbraw/zinc/24/85/21/569248521.db2.gz	DOPNTXZXSNOHQP-KRWDZBQOSA-N	-1	0	413.499	2.391	50	0		HEAARM
COc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)cc1	ZINC000013579036	569256344	/nfs/dbraw/zinc/25/63/44/569256344.db2.gz	WUCKPVKMOXPMRF-UHFFFAOYSA-N	-1	0	400.387	2.294	50	0		HEAARM
C/C(=C/C(=O)Nc1ccc(SCC(=O)Nc2ccccc2C(N)=O)cc1)C(=O)[O-]	ZINC000013579243	569256514	/nfs/dbraw/zinc/25/65/14/569256514.db2.gz	MMIPRKHYBNJSNE-BENRWUELSA-N	-1	0	413.455	2.486	50	0		HEAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)COc1ccc2ccc(=O)oc2c1	ZINC000002138974	569287576	/nfs/dbraw/zinc/28/75/76/569287576.db2.gz	RAVDWUJYQNJZLJ-GOSISDBHSA-N	-1	0	406.394	2.465	50	0	biogenic	HEAARM
COCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000002436661	569399794	/nfs/dbraw/zinc/39/97/94/569399794.db2.gz	PQWKRKBAXDMKAI-UHFFFAOYSA-N	-1	0	416.488	2.494	50	0		HEAARM
COC(=O)c1ncsc1S(=O)(=O)[N-]c1cc(OC)c(C(=O)OC)cc1Cl	ZINC000328594017	569415617	/nfs/dbraw/zinc/41/56/17/569415617.db2.gz	JGEOMJJSSYBXFK-UHFFFAOYSA-N	-1	0	420.852	2.179	50	0		HEAARM
CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008876272	571130935	/nfs/dbraw/zinc/13/09/35/571130935.db2.gz	XDWSCOYZQNIZKJ-RTBURBONSA-N	-1	0	423.469	2.089	50	0	biogenic	HEAARM
CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009012438	571210729	/nfs/dbraw/zinc/21/07/29/571210729.db2.gz	MYDLBGZFEPQYJJ-ZWKOTPCHSA-N	-1	0	409.442	2.111	50	0	biogenic	HEAARM
COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3c(C(N)=O)cnn32)cc1OC	ZINC000009409631	571255704	/nfs/dbraw/zinc/25/57/04/571255704.db2.gz	QISJCBNONXMMBR-AWEZNQCLSA-N	-1	0	424.413	2.080	50	0		HEAARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1nc(-c2ccccc2Cl)ccc1=O	ZINC000071335380	571292983	/nfs/dbraw/zinc/29/29/83/571292983.db2.gz	AWKYZEUOGSMYBL-GOSISDBHSA-N	-1	0	411.845	2.376	50	0		HEAARM
CS(=O)(=O)[N-]c1nc(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cs1	ZINC000012324148	132358553	/nfs/dbraw/zinc/35/85/53/132358553.db2.gz	ZJZLOXOXHUWUMW-UHFFFAOYSA-N	-1	0	414.940	2.059	50	0		HEAARM
O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)N1CCN(c2ccccc2F)CC1	ZINC000012415537	132359643	/nfs/dbraw/zinc/35/96/43/132359643.db2.gz	UBAWPZPRUCPYHA-UHFFFAOYSA-N	-1	0	416.478	2.277	50	0		HEAARM
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1	ZINC000032962235	518409524	/nfs/dbraw/zinc/40/95/24/518409524.db2.gz	LCTSOJHDGBBVRO-UHFFFAOYSA-N	-1	0	404.444	2.225	50	0		HEAARM
NC(=O)c1c2[nH]c(=O)cc([O-])c2sc1SCC(=O)c1ccc2c(c1)OCO2	ZINC000040284115	527020314	/nfs/dbraw/zinc/02/03/14/527020314.db2.gz	KJFDOOFXGPFWBF-UHFFFAOYSA-N	-1	0	404.425	2.098	50	0		HEAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(c3ccccn3)CC2)c2ccc(F)cc21	ZINC000040288561	527642146	/nfs/dbraw/zinc/64/21/46/527642146.db2.gz	QBTWDKPVQBBLQL-HXUWFJFHSA-N	-1	0	412.421	2.208	50	0		HEAARM
O=C([O-])[C@@H](Cc1c[nH]cn1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21	ZINC000002288674	557334577	/nfs/dbraw/zinc/33/45/77/557334577.db2.gz	UCTABLVRAKRRDT-QVDLRHOJSA-N	-1	0	413.433	2.298	50	0		HEAARM
O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccnc1	ZINC000002321989	557337207	/nfs/dbraw/zinc/33/72/07/557337207.db2.gz	AGVRGXSWVUZSNS-UHFFFAOYSA-N	-1	0	419.513	2.466	50	0		HEAARM
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000003876416	557502142	/nfs/dbraw/zinc/50/21/42/557502142.db2.gz	HETVLTBVYUMISG-UHFFFAOYSA-N	-1	0	406.416	2.019	50	0		HEAARM
COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1C(=O)[O-])S(C)(=O)=O	ZINC000004724126	557586898	/nfs/dbraw/zinc/58/68/98/557586898.db2.gz	WHEKOKINCRWBQD-UHFFFAOYSA-N	-1	0	412.851	2.452	50	0		HEAARM
C[C@@H](NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CCCO1	ZINC000005041628	557628640	/nfs/dbraw/zinc/62/86/40/557628640.db2.gz	SGIFMUWXDOFORS-IUODEOHRSA-N	-1	0	407.521	2.131	50	0		HEAARM
CC(C)C[C@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-]	ZINC000005092619	557634906	/nfs/dbraw/zinc/63/49/06/557634906.db2.gz	HJCORYKWVGYNRM-HNRFISLBSA-N	-1	0	414.414	2.395	50	0		HEAARM
CC(C)C[C@@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-]	ZINC000005092620	557635011	/nfs/dbraw/zinc/63/50/11/557635011.db2.gz	HJCORYKWVGYNRM-AAWPKVBNSA-N	-1	0	414.414	2.395	50	0		HEAARM
Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc4c(c3)NC(=O)CC4)cc2oc1=O	ZINC000005484433	557656812	/nfs/dbraw/zinc/65/68/12/557656812.db2.gz	RERUVMDWBIMNGJ-UHFFFAOYSA-N	-1	0	407.835	2.470	50	0		HEAARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000006730628	557718076	/nfs/dbraw/zinc/71/80/76/557718076.db2.gz	DEVQKDGHVWARPY-VXGBXAGGSA-N	-1	0	420.940	2.125	50	0		HEAARM
CCc1nc2sc([C@H](c3cccc(OC)c3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855135	557842267	/nfs/dbraw/zinc/84/22/67/557842267.db2.gz	YHTDNZRJAJRMIG-KRWDZBQOSA-N	-1	0	415.519	2.321	50	0		HEAARM
COc1ccc(S(=O)(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])cc1	ZINC000012901610	558483748	/nfs/dbraw/zinc/48/37/48/558483748.db2.gz	IINYWAVKDFXXHF-KRWDZBQOSA-N	-1	0	421.471	2.475	50	0	biogenic	HEAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)N1CCc2ccccc21	ZINC000013235764	558527640	/nfs/dbraw/zinc/52/76/40/558527640.db2.gz	AKECWTNEQIVEOP-GOSISDBHSA-N	-1	0	406.442	2.052	50	0		HEAARM
C[C@H]1Cc2ccccc2N1C(=O)CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013235774	558527647	/nfs/dbraw/zinc/52/76/47/558527647.db2.gz	YAXPWEZKMKXWAW-LIRRHRJNSA-N	-1	0	420.469	2.441	50	0		HEAARM
C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CC3(C(=O)[O-])CCCC3)cc2)C[C@@H](C)O1	ZINC000013251405	558527886	/nfs/dbraw/zinc/52/78/86/558527886.db2.gz	JNRZYHCNMTZCLF-HUUCEWRRSA-N	-1	0	424.519	2.458	50	0		HEAARM
CC(C)[C@H](NC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1)C(=O)[O-]	ZINC000013734892	558588192	/nfs/dbraw/zinc/58/81/92/558588192.db2.gz	VTCPAVSQPNVJLB-IBGZPJMESA-N	-1	0	400.479	2.064	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1Cl	ZINC000004483965	558603320	/nfs/dbraw/zinc/60/33/20/558603320.db2.gz	XZGQDOCVWOBSFK-DLBZAZTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc(C=C2NC(=O)N(Cc3c([O-])c4ccccc4oc3=O)C2=O)cc1OC	ZINC000025584735	558645020	/nfs/dbraw/zinc/64/50/20/558645020.db2.gz	KGAJUPPASPKDRI-BUYRESAOSA-N	-1	0	422.393	2.015	50	0		HEAARM
O=C(NCCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccco1	ZINC000025925588	558652381	/nfs/dbraw/zinc/65/23/81/558652381.db2.gz	UVRWCIMEUJICDQ-UHFFFAOYSA-N	-1	0	419.484	2.302	50	0		HEAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCc1ccc(F)cc1)c2=O	ZINC000032959230	558754985	/nfs/dbraw/zinc/75/49/85/558754985.db2.gz	LKGMVZYSUMNHCF-UHFFFAOYSA-N	-1	0	415.446	2.317	50	0		HEAARM
COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)CC1	ZINC000033274726	558764284	/nfs/dbraw/zinc/76/42/84/558764284.db2.gz	FWIHLFIHCXDCTP-UHFFFAOYSA-N	-1	0	407.492	2.277	50	0		HEAARM
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)c1	ZINC000017088025	558816869	/nfs/dbraw/zinc/81/68/69/558816869.db2.gz	YUCXJZUNYMRLPQ-SJORKVTESA-N	-1	0	408.520	2.027	50	0		HEAARM
CCOC(=O)CN1C(=O)S/C(=C\c2cccc(OCC)c2OCC(=O)[O-])C1=O	ZINC000004723484	558922584	/nfs/dbraw/zinc/92/25/84/558922584.db2.gz	YGBICKXPVLPUNL-JYRVWZFOSA-N	-1	0	409.416	2.148	50	0		HEAARM
Cc1cccc2c1nc(CO)n2-c1cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c1	ZINC000072127173	558928269	/nfs/dbraw/zinc/92/82/69/558928269.db2.gz	KXUKDDRMDCLISH-UHFFFAOYSA-N	-1	0	403.460	2.211	50	0		HEAARM
COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)[C@@H]2CC2(F)F)C3)cc1	ZINC000067473209	558986759	/nfs/dbraw/zinc/98/67/59/558986759.db2.gz	ZZMWPTHSDGTSLR-HNNXBMFYSA-N	-1	0	405.401	2.373	50	0		HEAARM
COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCOCC2)cc(OC)c1OC	ZINC000023158010	559022507	/nfs/dbraw/zinc/02/25/07/559022507.db2.gz	SZPGIAZIAUGXKD-HNNXBMFYSA-N	-1	0	420.491	2.252	50	0		HEAARM
COC[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1	ZINC000023718149	559179379	/nfs/dbraw/zinc/17/93/79/559179379.db2.gz	ZGZNUWOBMJSMNK-NSHDSACASA-N	-1	0	420.459	2.079	50	0		HEAARM
O=C([O-])[C@@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccc(F)cc3)nn12	ZINC000408525839	559215642	/nfs/dbraw/zinc/21/56/42/559215642.db2.gz	WANXSJSLXJODNW-FQEVSTJZSA-N	-1	0	410.336	2.128	50	0		HEAARM
O=C([O-])[C@]12CCC(=O)N1c1ccc(F)cc1-c1nc(=O)c(-c3ccc(F)cc3)nn12	ZINC000408525840	559215675	/nfs/dbraw/zinc/21/56/75/559215675.db2.gz	WANXSJSLXJODNW-HXUWFJFHSA-N	-1	0	410.336	2.128	50	0		HEAARM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1C	ZINC000005135035	559250303	/nfs/dbraw/zinc/25/03/03/559250303.db2.gz	GMIXLDZEMOLPFT-UHFFFAOYSA-N	-1	0	412.489	2.053	50	0		HEAARM
CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1	ZINC000011858308	559263056	/nfs/dbraw/zinc/26/30/56/559263056.db2.gz	COWJCDHHXVUXNC-UHFFFAOYSA-N	-1	0	424.500	2.341	50	0		HEAARM
Cc1c2ccc(O)cc2oc(=O)c1CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000011865454	559263408	/nfs/dbraw/zinc/26/34/08/559263408.db2.gz	BYFDOESZBSWNRE-GOSISDBHSA-N	-1	0	411.410	2.257	50	0		HEAARM
CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])n2)cc1	ZINC000061720689	560536697	/nfs/dbraw/zinc/53/66/97/560536697.db2.gz	ZRKYEUYYBQIQDB-IBGZPJMESA-N	-1	0	423.494	2.444	50	0		HEAARM
CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000005209466	560538816	/nfs/dbraw/zinc/53/88/16/560538816.db2.gz	MFDKRLIQUMFARA-RTBURBONSA-N	-1	0	423.469	2.233	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(F)cc1F	ZINC000101389015	560793999	/nfs/dbraw/zinc/79/39/99/560793999.db2.gz	JKJGGBJUVMZTIU-HOTGVXAUSA-N	-1	0	421.310	2.175	50	0		HEAARM
CCOc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])=NN1	ZINC000101762465	560800701	/nfs/dbraw/zinc/80/07/01/560800701.db2.gz	APSXUXPLHVBPMZ-INIZCTEOSA-N	-1	0	406.442	2.128	50	0		HEAARM
CCOc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=O)n(CCc3ccccc3)c2=O)=NN1	ZINC000101762568	560800726	/nfs/dbraw/zinc/80/07/26/560800726.db2.gz	KMPKXCMUEPSWAX-QGZVFWFLSA-N	-1	0	420.469	2.322	50	0		HEAARM
C[C@@H]1CN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2[C@@H](C)O1	ZINC000102784278	560827458	/nfs/dbraw/zinc/82/74/58/560827458.db2.gz	AAXHHKHQORLYBE-PTLSTEMOSA-N	-1	0	405.454	2.494	50	0		HEAARM
Cc1ccc(-c2noc(CCCC(=O)N3CCc4nc5cc[n-]n5c(=O)c4C3)n2)cc1	ZINC000102991132	560836561	/nfs/dbraw/zinc/83/65/61/560836561.db2.gz	VXBZYJVRIWVTCB-UHFFFAOYSA-N	-1	0	418.457	2.289	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1	ZINC000101166302	560851208	/nfs/dbraw/zinc/85/12/08/560851208.db2.gz	PZXVJEZOCFYRKE-MOPGFXCFSA-N	-1	0	407.430	2.326	50	0		HEAARM
COC(=O)Cc1cc(OC)c(OC)cc1S(=O)(=O)[N-]c1ccccc1C(=O)OC	ZINC000000643638	568457033	/nfs/dbraw/zinc/45/70/33/568457033.db2.gz	RQXLMNDEFPNQNL-UHFFFAOYSA-N	-1	0	423.443	2.007	50	0		HEAARM
O=C([O-])[C@@H]1C[C@H](Br)[C@@H](Br)C[C@H]1C(=O)NCc1cccnc1	ZINC000000708399	568463977	/nfs/dbraw/zinc/46/39/77/568463977.db2.gz	YEIZWXHGDGESIO-WYUUTHIRSA-N	-1	0	420.101	2.336	50	0		HEAARM
COc1cc(OC)c(NC(=O)Cc2csc([N-]S(C)(=O)=O)n2)cc1Cl	ZINC000012324130	568471641	/nfs/dbraw/zinc/47/16/41/568471641.db2.gz	XDGLOFWWAAOGSE-UHFFFAOYSA-N	-1	0	405.885	2.366	50	0		HEAARM
Cc1ccc(N2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)cc1C	ZINC000223826837	568560087	/nfs/dbraw/zinc/56/00/87/568560087.db2.gz	JRVUTFSVRNSLDB-JOCHJYFZSA-N	-1	0	401.507	2.246	50	0		HEAARM
O=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1	ZINC000020272670	568596329	/nfs/dbraw/zinc/59/63/29/568596329.db2.gz	NSMHWXSGXOPTFZ-UHFFFAOYSA-N	-1	0	408.819	2.357	50	0		HEAARM
CCc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3NCCc4cc(OC)c(OC)cc43)c2=O)cc1	ZINC000020410454	568605170	/nfs/dbraw/zinc/60/51/70/568605170.db2.gz	WRVFUZUNWYBQFO-FQEVSTJZSA-N	-1	0	423.469	2.046	50	0	biogenic	HEAARM
O=C([O-])[C@@]12CCC(=O)N1c1cc(F)ccc1-c1nc(=O)c(-c3ccc(F)cc3)nn12	ZINC000095944220	568663027	/nfs/dbraw/zinc/66/30/27/568663027.db2.gz	YHCHNSNYRRLLGV-FQEVSTJZSA-N	-1	0	410.336	2.128	50	0		HEAARM
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NCC(C)(C)C(=O)[O-]	ZINC000095970744	568671566	/nfs/dbraw/zinc/67/15/66/568671566.db2.gz	TYQZKXPHYWSTNP-UHFFFAOYSA-N	-1	0	412.508	2.101	50	0		HEAARM
CCc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)c1	ZINC000021154328	568673021	/nfs/dbraw/zinc/67/30/21/568673021.db2.gz	RUDPFYINMPFUNS-UHFFFAOYSA-N	-1	0	405.520	2.478	50	0		HEAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc2c(c1)CN(C(=O)OC)CC2	ZINC000096096311	568688863	/nfs/dbraw/zinc/68/88/63/568688863.db2.gz	HRVOJCXJFOYLBF-UHFFFAOYSA-N	-1	0	410.473	2.460	50	0		HEAARM
O=C(Nc1ccc2c(c1)OCCO2)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1	ZINC000096361052	568738945	/nfs/dbraw/zinc/73/89/45/568738945.db2.gz	WGADRINRHJUZKZ-UHFFFAOYSA-N	-1	0	400.416	2.234	50	0		HEAARM
COc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(OC)cc2)cc1	ZINC000096361265	568739317	/nfs/dbraw/zinc/73/93/17/568739317.db2.gz	FRVVMFBOXVLADM-UHFFFAOYSA-N	-1	0	416.459	2.158	50	0		HEAARM
CC(=O)O[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C(=O)[O-])[C@@]1(C)CC[C@@H]34	ZINC000254570656	568756517	/nfs/dbraw/zinc/75/65/17/568756517.db2.gz	LHUPEQRPYAACKK-AOPSMDPYSA-N	-1	0	406.475	2.436	50	0		HEAARM
Nc1c(Cl)cc(S(=O)(=O)N2CCC[C@H](n3cc(C(=O)[O-])cn3)C2)cc1Cl	ZINC000097165187	568769584	/nfs/dbraw/zinc/76/95/84/568769584.db2.gz	NXGYPLZZTANLMU-JTQLQIEISA-N	-1	0	419.290	2.496	50	0		HEAARM
CC(C)[C@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002902056	568815271	/nfs/dbraw/zinc/81/52/71/568815271.db2.gz	WTDFSYBNEFJMNA-LZOLKVDOSA-N	-1	0	410.426	2.412	50	0	biogenic	HEAARM
O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CCN(CCOc2ccccc2)CC1	ZINC000012639313	568884092	/nfs/dbraw/zinc/88/40/92/568884092.db2.gz	VUPGHJSAFBMQJF-UHFFFAOYSA-N	-1	0	424.526	2.282	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281893	568959032	/nfs/dbraw/zinc/95/90/32/568959032.db2.gz	KVTHYQGSNCKZAW-MJGOQNOKSA-N	-1	0	407.426	2.301	50	0		HEAARM
COc1ccc(Br)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000007986227	568964730	/nfs/dbraw/zinc/96/47/30/568964730.db2.gz	FTHJHAUTKHTXBN-CYBMUJFWSA-N	-1	0	414.277	2.432	50	0		HEAARM
CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cncc(Br)c2)C1=O	ZINC000008158273	568978788	/nfs/dbraw/zinc/97/87/88/568978788.db2.gz	SEAQVAPDFDAKRF-QGZVFWFLSA-N	-1	0	403.236	2.346	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)C1	ZINC000006393543	569046473	/nfs/dbraw/zinc/04/64/73/569046473.db2.gz	SFFCNOGGECLVON-CABCVRRESA-N	-1	0	400.435	2.329	50	0		HEAARM
CCCCC(=O)Nc1ccc(N2CCN(CC(=O)NCCC)CC2)cc1C(=O)[O-]	ZINC000064589757	569069079	/nfs/dbraw/zinc/06/90/79/569069079.db2.gz	BSVUJMGUYBELLA-UHFFFAOYSA-N	-1	0	404.511	2.162	50	0		HEAARM
Cc1c(C)c2c(OCC(=O)N[C@@H](C)C(=O)[O-])cc3c(c2oc1=O)CCC(C)(C)O3	ZINC000006624180	569075489	/nfs/dbraw/zinc/07/54/89/569075489.db2.gz	VTWLOQSUSUMMTA-LBPRGKRZSA-N	-1	0	403.431	2.482	50	0	biogenic	HEAARM
CCCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3OC)cc2oc1=O	ZINC000064818913	569101743	/nfs/dbraw/zinc/10/17/43/569101743.db2.gz	QSSOQLVDECLQPY-UHFFFAOYSA-N	-1	0	420.443	2.357	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cc(F)ccc1F	ZINC000006729361	569102720	/nfs/dbraw/zinc/10/27/20/569102720.db2.gz	GBJJQEJONKDELP-HZPDHXFCSA-N	-1	0	403.320	2.036	50	0		HEAARM
Cc1nn(-c2ccc(C)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000064947331	569129292	/nfs/dbraw/zinc/12/92/92/569129292.db2.gz	AOHSMEAWDXXYRW-UHFFFAOYSA-N	-1	0	420.516	2.246	50	0		HEAARM
O=C(Cn1nnc2c1c(=O)[nH][n-]c2=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1	ZINC000006829635	569143325	/nfs/dbraw/zinc/14/33/25/569143325.db2.gz	FJJQQAPQJGILPD-INIZCTEOSA-N	-1	0	415.413	2.010	50	0		HEAARM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c1C(=O)[O-]	ZINC000036356871	569148490	/nfs/dbraw/zinc/14/84/90/569148490.db2.gz	IFCLIQDHWIZNAZ-HXUWFJFHSA-N	-1	0	408.458	2.215	50	0		HEAARM
COCc1nc(C(=O)[N-]S(=O)(=O)c2cc(Br)ccc2C)cs1	ZINC000065041911	569160313	/nfs/dbraw/zinc/16/03/13/569160313.db2.gz	HKZLQEGNFNYDLR-UHFFFAOYSA-N	-1	0	405.295	2.479	50	0		HEAARM
CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	ZINC000007052382	569214219	/nfs/dbraw/zinc/21/42/19/569214219.db2.gz	QYTCOEWTVYXGNC-UHFFFAOYSA-N	-1	0	408.501	2.475	50	0		HEAARM
CSCC[C@H](NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-]	ZINC000002121773	569285578	/nfs/dbraw/zinc/28/55/78/569285578.db2.gz	SRRXPZYHRDSIMQ-AWEZNQCLSA-N	-1	0	405.472	2.291	50	0	biogenic	HEAARM
CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-]	ZINC000002126629	569286255	/nfs/dbraw/zinc/28/62/55/569286255.db2.gz	PIUQWHRUBDAABM-BZNIZROVSA-N	-1	0	405.472	2.372	50	0	biogenic	HEAARM
Nc1ncc(Br)cc1S(=O)(=O)[N-]c1ccc(Cn2cccn2)cc1	ZINC000079108034	569427868	/nfs/dbraw/zinc/42/78/68/569427868.db2.gz	RRZSHTXEGQVYKH-UHFFFAOYSA-N	-1	0	408.281	2.472	50	0		HEAARM
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC2(C(=O)[O-])CCCCC2)c1	ZINC000008723788	571107421	/nfs/dbraw/zinc/10/74/21/571107421.db2.gz	XHIWAOOKJKSRMJ-UHFFFAOYSA-N	-1	0	400.472	2.374	50	0		HEAARM
COC(=O)c1cc(NS(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c(F)cc1F	ZINC000040155214	571202413	/nfs/dbraw/zinc/20/24/13/571202413.db2.gz	HKXHSIISGNDBCA-UHFFFAOYSA-N	-1	0	415.370	2.188	50	0		HEAARM
C[C@@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1ccc(F)c(F)c1F	ZINC000009032621	571212642	/nfs/dbraw/zinc/21/26/42/571212642.db2.gz	CYPAVDVSIOTBPS-SECBINFHSA-N	-1	0	421.331	2.090	50	0		HEAARM
COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1	ZINC000009187810	571235338	/nfs/dbraw/zinc/23/53/38/571235338.db2.gz	GKDXGAHVATYVQZ-HNNXBMFYSA-N	-1	0	424.479	2.493	50	0		HEAARM
Cc1c(C(=O)[O-])sc2[nH]c(CSc3nc4nc(C)cc(C)n4n3)nc(=O)c12	ZINC000009339492	571249779	/nfs/dbraw/zinc/24/97/79/571249779.db2.gz	RHDJYCFOYVQATO-UHFFFAOYSA-N	-1	0	402.461	2.338	50	0		HEAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1	ZINC000009356442	571251331	/nfs/dbraw/zinc/25/13/31/571251331.db2.gz	JLHIDGIRIMVDRP-AWEZNQCLSA-N	-1	0	417.487	2.219	50	0		HEAARM
NC(=O)c1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1	ZINC000009828739	571286997	/nfs/dbraw/zinc/28/69/97/571286997.db2.gz	KCGFRMVZMPVINY-UHFFFAOYSA-N	-1	0	416.484	2.224	50	0		HEAARM
COc1cc(OC)c2c(C)c(CC(=O)Nc3nc(CC(=O)[O-])cs3)c(=O)oc2c1	ZINC000020427459	522835766	/nfs/dbraw/zinc/83/57/66/522835766.db2.gz	LONWXPJMOKTKFB-UHFFFAOYSA-N	-1	0	418.427	2.383	50	0		HEAARM
COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnnn1-c1ccc(C(=O)[O-])cc1)C2	ZINC000032096656	523023824	/nfs/dbraw/zinc/02/38/24/523023824.db2.gz	LYKOVBQWCGIWIE-INIZCTEOSA-N	-1	0	412.427	2.277	50	0		HEAARM
O=C([O-])[C@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc4c(c3)CCC4)cc2)C1	ZINC000032082481	526316961	/nfs/dbraw/zinc/31/69/61/526316961.db2.gz	RMCOHCMHTZTIFU-HNNXBMFYSA-N	-1	0	400.456	2.414	50	0		HEAARM
O=C([O-])c1cc(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)ccc1O	ZINC000041181991	526349820	/nfs/dbraw/zinc/34/98/20/526349820.db2.gz	NMPWNFAQWSUHSN-UHFFFAOYSA-N	-1	0	424.818	2.063	50	0		HEAARM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)Nc3ccc4c(c3)CCC4)cc2)C1	ZINC000032082483	527658235	/nfs/dbraw/zinc/65/82/35/527658235.db2.gz	RMCOHCMHTZTIFU-OAHLLOKOSA-N	-1	0	400.456	2.414	50	0		HEAARM
CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000000917345	557117953	/nfs/dbraw/zinc/11/79/53/557117953.db2.gz	TXCGQPXKXQIQII-UHFFFAOYSA-N	-1	0	411.443	2.488	50	0		HEAARM
CCOC(=O)[C@@H]1CCCN(C(=O)CCc2nnc(-c3cccc(F)c3)[n-]c2=O)C1	ZINC000034768565	557463356	/nfs/dbraw/zinc/46/33/56/557463356.db2.gz	XEBUIWQHIUSZNM-CQSZACIVSA-N	-1	0	402.426	2.118	50	0		HEAARM
CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)cc1	ZINC000004483390	557558851	/nfs/dbraw/zinc/55/88/51/557558851.db2.gz	DYBRMLFAAJODQR-OALUTQOASA-N	-1	0	407.430	2.190	50	0		HEAARM
COCCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S	ZINC000002973727	557775758	/nfs/dbraw/zinc/77/57/58/557775758.db2.gz	JPPNJRLBEDSDFN-UHFFFAOYSA-N	-1	0	400.298	2.364	50	0		HEAARM
CCc1nc2sc([C@@H](c3ccc(OC)cc3)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855141	557842186	/nfs/dbraw/zinc/84/21/86/557842186.db2.gz	HIAPSBABNFPNJU-QGZVFWFLSA-N	-1	0	415.519	2.321	50	0		HEAARM
O=C([O-])CCC(=O)N(Cc1ccco1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000019818522	558288575	/nfs/dbraw/zinc/28/85/75/558288575.db2.gz	HAEOLDUUUKJWSF-HNNXBMFYSA-N	-1	0	404.806	2.459	50	0		HEAARM
NC(=O)[C@@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)C1	ZINC000021363969	558437444	/nfs/dbraw/zinc/43/74/44/558437444.db2.gz	KYUHLPYYTDKWBI-CQSZACIVSA-N	-1	0	411.487	2.132	50	0		HEAARM
Cc1nc(SCc2ccc(C(=O)[O-])cc2)c2c(=O)n(C)c(=O)n(CC(C)C)c2n1	ZINC000012978148	558492359	/nfs/dbraw/zinc/49/23/59/558492359.db2.gz	FTGKCFXKDAWSMB-UHFFFAOYSA-N	-1	0	414.487	2.445	50	0		HEAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)s1	ZINC000013143937	558522444	/nfs/dbraw/zinc/52/24/44/558522444.db2.gz	MAVGMEDKBJIMNN-UHFFFAOYSA-N	-1	0	422.937	2.223	50	0		HEAARM
O=C(NCCO)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1	ZINC000013690004	558572154	/nfs/dbraw/zinc/57/21/54/558572154.db2.gz	GEQDHBLAINCJFT-UHFFFAOYSA-N	-1	0	411.892	2.473	50	0		HEAARM
C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cncc(Br)c2)C1=O	ZINC000023946680	558582140	/nfs/dbraw/zinc/58/21/40/558582140.db2.gz	QVYWSQABAQJHTO-GOSISDBHSA-N	-1	0	417.263	2.432	50	0		HEAARM
COc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000024745656	558609547	/nfs/dbraw/zinc/60/95/47/558609547.db2.gz	BGUPUMUVZHVHFM-GFCCVEGCSA-N	-1	0	419.438	2.426	50	0		HEAARM
COc1ccc(-c2cc(C(=O)[O-])c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1	ZINC000026421271	558660534	/nfs/dbraw/zinc/66/05/34/558660534.db2.gz	VYKJXHTVPHRWSO-CYBMUJFWSA-N	-1	0	401.444	2.473	50	0		HEAARM
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)c1	ZINC000017088028	558816881	/nfs/dbraw/zinc/81/68/81/558816881.db2.gz	YUCXJZUNYMRLPQ-DLBZAZTESA-N	-1	0	408.520	2.027	50	0		HEAARM
CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000060341723	558856888	/nfs/dbraw/zinc/85/68/88/558856888.db2.gz	JLLSBKKUQLAKJE-UHFFFAOYSA-N	-1	0	423.438	2.456	50	0		HEAARM
O=C([O-])[C@@H](Cc1c[nH]cn1)N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21	ZINC000013777513	558868870	/nfs/dbraw/zinc/86/88/70/558868870.db2.gz	UCTABLVRAKRRDT-ODMWJAAVSA-N	-1	0	413.433	2.298	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)C2CCOCC2)CC3)no1	ZINC000077393041	559003729	/nfs/dbraw/zinc/00/37/29/559003729.db2.gz	YNRVTOWPPRGRHO-UHFFFAOYSA-N	-1	0	405.476	2.095	50	0		HEAARM
COc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)[O-])c(OC)c3)NC2=S)cc1	ZINC000033334364	559063515	/nfs/dbraw/zinc/06/35/15/559063515.db2.gz	UTZGOZCCSVFUFE-OQLLNIDSSA-N	-1	0	414.439	2.429	50	0		HEAARM
Cn1nc2cccc(S(=O)(=O)N3CCC[C@H](c4cccc(C(=O)[O-])c4)C3)c2n1	ZINC000095389125	559080912	/nfs/dbraw/zinc/08/09/12/559080912.db2.gz	BKLIBOYYTWLRRM-HNNXBMFYSA-N	-1	0	400.460	2.235	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1	ZINC000100036857	559129078	/nfs/dbraw/zinc/12/90/78/559129078.db2.gz	IYUFIHGJRTZFMW-RTBURBONSA-N	-1	0	407.430	2.244	50	0		HEAARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100165693	559167876	/nfs/dbraw/zinc/16/78/76/559167876.db2.gz	IBCWCPCOCVOGKE-HUUCEWRRSA-N	-1	0	417.343	2.266	50	0		HEAARM
Cc1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)c1C(=O)N1CCCC1	ZINC000408518382	559213498	/nfs/dbraw/zinc/21/34/98/559213498.db2.gz	FCATXCMRMWUYOI-UHFFFAOYSA-N	-1	0	412.471	2.268	50	0		HEAARM
Nc1nc(O)c([C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)s1	ZINC000017878850	560729829	/nfs/dbraw/zinc/72/98/29/560729829.db2.gz	XDCMJIAGAMCDCL-KBXCAEBGSA-N	-1	0	405.838	2.170	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1	ZINC000101165924	560787303	/nfs/dbraw/zinc/78/73/03/560787303.db2.gz	PBRPZRCEQYDGFR-DLBZAZTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1Cl	ZINC000101168762	560787546	/nfs/dbraw/zinc/78/75/46/560787546.db2.gz	XZGQDOCVWOBSFK-SJORKVTESA-N	-1	0	413.821	2.281	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccccc1F	ZINC000101416191	560794595	/nfs/dbraw/zinc/79/45/95/560794595.db2.gz	APKCQLUOHNWCRU-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3ccccc3OCC)C2)c1[O-]	ZINC000101456859	560795672	/nfs/dbraw/zinc/79/56/72/560795672.db2.gz	RXEGBNQLSVXNLO-INIZCTEOSA-N	-1	0	414.462	2.139	50	0		HEAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1cccs1	ZINC000101765231	560799547	/nfs/dbraw/zinc/79/95/47/560799547.db2.gz	QYIWDFDSGFNIJY-OAHLLOKOSA-N	-1	0	424.482	2.440	50	0		HEAARM
CCOc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2)cc1	ZINC000101762285	560800411	/nfs/dbraw/zinc/80/04/11/560800411.db2.gz	UJBKOUSEBQUZEF-QGZVFWFLSA-N	-1	0	406.442	2.128	50	0		HEAARM
COc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccc(Cl)cc3)c2=O)=NN1	ZINC000101762704	560800604	/nfs/dbraw/zinc/80/06/04/560800604.db2.gz	JHSCOIGBQPNVKN-AWEZNQCLSA-N	-1	0	412.833	2.332	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1	ZINC000101166297	560851223	/nfs/dbraw/zinc/85/12/23/560851223.db2.gz	PZXVJEZOCFYRKE-OALUTQOASA-N	-1	0	407.430	2.326	50	0		HEAARM
Cn1ccnc1[C@@H](NC(=O)CCn1[nH]c(=O)c2ccccc2c1=O)c1ccc(F)cc1	ZINC000046743765	560853530	/nfs/dbraw/zinc/85/35/30/560853530.db2.gz	BNUHMIGMJCVCCZ-IBGZPJMESA-N	-1	0	421.432	2.271	50	0		HEAARM
Cc1cccc(N2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1C	ZINC000219029188	568485977	/nfs/dbraw/zinc/48/59/77/568485977.db2.gz	XLLYNPQIZFZDPT-JOCHJYFZSA-N	-1	0	401.507	2.246	50	0		HEAARM
CN1C(=O)Cc2cc(S(=O)(=O)N[C@@H](CC(=O)[O-])c3ccccc3Cl)ccc21	ZINC000095348601	568600253	/nfs/dbraw/zinc/60/02/53/568600253.db2.gz	SDEVLQFTGJAGJB-HNNXBMFYSA-N	-1	0	408.863	2.353	50	0		HEAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CCc3ccncc3)CC2)c2ccccc21	ZINC000095481254	568633632	/nfs/dbraw/zinc/63/36/32/568633632.db2.gz	HXYWJUVAUUZMLP-QFIPXVFZSA-N	-1	0	422.485	2.107	50	0		HEAARM
COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCCC2)cc1	ZINC000021154096	568673008	/nfs/dbraw/zinc/67/30/08/568673008.db2.gz	AMTPMKREPUFTPM-UHFFFAOYSA-N	-1	0	419.503	2.465	50	0		HEAARM
COc1ccccc1C[C@H](CNC(=O)CCCNC(=O)c1ccsc1)C(=O)[O-]	ZINC000095989881	568677808	/nfs/dbraw/zinc/67/78/08/568677808.db2.gz	NXUMSLOECJXLQB-MRXNPFEDSA-N	-1	0	404.488	2.326	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c1	ZINC000096012194	568684628	/nfs/dbraw/zinc/68/46/28/568684628.db2.gz	YAALHNAHCFSVLY-PWFNWSNSSA-N	-1	0	424.544	2.335	50	0		HEAARM
COC(=O)C[C@@H](c1cccnc1)c1c([O-])nc2ccc(Br)cn2c1=O	ZINC000096231978	568707691	/nfs/dbraw/zinc/70/76/91/568707691.db2.gz	LXEMVKOKEZCFDT-LBPRGKRZSA-N	-1	0	404.220	2.253	50	0		HEAARM
Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2	ZINC000096361012	568738867	/nfs/dbraw/zinc/73/88/67/568738867.db2.gz	GDPDVMYASMSMHJ-UHFFFAOYSA-N	-1	0	400.416	2.500	50	0		HEAARM
COc1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1	ZINC000096361290	568739333	/nfs/dbraw/zinc/73/93/33/568739333.db2.gz	AJOWRSIJVBUAEF-UHFFFAOYSA-N	-1	0	404.423	2.288	50	0		HEAARM
CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578209	568770480	/nfs/dbraw/zinc/77/04/80/568770480.db2.gz	YJWOSGBZJMXQHQ-MRXNPFEDSA-N	-1	0	421.954	2.412	50	0		HEAARM
O=C([O-])c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1	ZINC000001156746	568775115	/nfs/dbraw/zinc/77/51/15/568775115.db2.gz	VNJFEEZJUVVZBF-LBTNJELSSA-N	-1	0	408.332	2.489	50	0		HEAARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1	ZINC000226751923	568823355	/nfs/dbraw/zinc/82/33/55/568823355.db2.gz	ODSKMZNLKHAQBH-KGLIPLIRSA-N	-1	0	401.488	2.472	50	0		HEAARM
O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NCc1ccc2c(c1)OCO2	ZINC000002966762	568830985	/nfs/dbraw/zinc/83/09/85/568830985.db2.gz	PUFLXHVWRZHCOI-OAHLLOKOSA-N	-1	0	422.466	2.180	50	0		HEAARM
CCCn1c(=O)c2ccc(C(=O)N3CCN(C(=O)OCC)CC3)cc2[n-]c1=S	ZINC000003043724	568848210	/nfs/dbraw/zinc/84/82/10/568848210.db2.gz	FHMJHUAOMNMMQE-UHFFFAOYSA-N	-1	0	404.492	2.010	50	0		HEAARM
COc1ccc(CN2CCN(C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)CC2)cc1F	ZINC000008315586	568989995	/nfs/dbraw/zinc/98/99/95/568989995.db2.gz	YEFULMFPBWIAJY-UHFFFAOYSA-N	-1	0	421.494	2.359	50	0		HEAARM
O=C(NCCCN1CCCC1=O)c1ccccc1[N-]S(=O)(=O)c1cccs1	ZINC000006146904	569014554	/nfs/dbraw/zinc/01/45/54/569014554.db2.gz	LJMGQRFINFUPFO-UHFFFAOYSA-N	-1	0	407.517	2.291	50	0		HEAARM
CNS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1	ZINC000001917476	569059368	/nfs/dbraw/zinc/05/93/68/569059368.db2.gz	JXWWFKGMXBVXMO-UHFFFAOYSA-N	-1	0	401.466	2.144	50	0		HEAARM
CCCNC(=O)CN1CCN(c2ccc(NC(=O)CC(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589815	569069016	/nfs/dbraw/zinc/06/90/16/569069016.db2.gz	ZEFWVPQAJMLSHX-UHFFFAOYSA-N	-1	0	404.511	2.018	50	0		HEAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CCc3ccccn3)CC2)c2ccccc21	ZINC000036353646	569147835	/nfs/dbraw/zinc/14/78/35/569147835.db2.gz	INUSZXOHIDHFFG-JOCHJYFZSA-N	-1	0	422.485	2.107	50	0		HEAARM
O=CN1CC[NH+]([C@H](C(=O)[O-])c2cn(Cc3ccccc3)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036357488	569148912	/nfs/dbraw/zinc/14/89/12/569148912.db2.gz	DBNWNJUUXRFVCY-NRFANRHFSA-N	-1	0	421.453	2.288	50	0		HEAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccccn3)CC2)c2ccccc21	ZINC000036367165	569152675	/nfs/dbraw/zinc/15/26/75/569152675.db2.gz	PHYAETGUWRKPRX-OAQYLSRUSA-N	-1	0	408.458	2.064	50	0		HEAARM
COc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)NC2CC2)ccc1NC(C)=O	ZINC000007054360	569214328	/nfs/dbraw/zinc/21/43/28/569214328.db2.gz	DRQCERQLSKWIMP-UHFFFAOYSA-N	-1	0	403.460	2.347	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1	ZINC000013690849	569257209	/nfs/dbraw/zinc/25/72/09/569257209.db2.gz	JNLVHKFTLBTGKN-UHFFFAOYSA-N	-1	0	424.500	2.199	50	0		HEAARM
CC[C@@]1(C)NC(=O)N([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C1=O	ZINC000170632532	569272496	/nfs/dbraw/zinc/27/24/96/569272496.db2.gz	RHLZURVXMXEDRN-LJQANCHMSA-N	-1	0	410.459	2.361	50	0		HEAARM
O=C([O-])CNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1	ZINC000002334012	569375180	/nfs/dbraw/zinc/37/51/80/569375180.db2.gz	TVBGAWYJPYWCGN-XNTDXEJSSA-N	-1	0	403.232	2.421	50	0		HEAARM
COc1ccc(CNC(=O)c2c([O-])c3cc(OC)c(OC)cc3[nH]c2=O)cc1OC	ZINC000013122471	569409558	/nfs/dbraw/zinc/40/95/58/569409558.db2.gz	XBDMOTHFJHPUAM-UHFFFAOYSA-N	-1	0	414.414	2.198	50	0	biogenic	HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccc(OC)c(OC)c2OC)c1	ZINC000008767995	571116005	/nfs/dbraw/zinc/11/60/05/571116005.db2.gz	FKGZISPUYNGFSE-UHFFFAOYSA-N	-1	0	409.460	2.393	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000008837355	571123503	/nfs/dbraw/zinc/12/35/03/571123503.db2.gz	QVJBNCUQBNXYME-PKOBYXMFSA-N	-1	0	423.425	2.001	50	0		HEAARM
CN(C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S)[C@@H]1CCS(=O)(=O)C1	ZINC000040016171	571138784	/nfs/dbraw/zinc/13/87/84/571138784.db2.gz	BGJCOYNXTUJUHT-CQSZACIVSA-N	-1	0	423.560	2.265	50	0		HEAARM
COCCn1c(=O)cc([O-])nc1SCC(=O)Nc1ccc(Br)cc1	ZINC000009316645	571247583	/nfs/dbraw/zinc/24/75/83/571247583.db2.gz	MZWYZBXHDGNYSP-UHFFFAOYSA-N	-1	0	414.281	2.089	50	0		HEAARM
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)C[C@H](C)O1	ZINC000009498363	571263204	/nfs/dbraw/zinc/26/32/04/571263204.db2.gz	WUCKLLVLJFQFAW-GASCZTMLSA-N	-1	0	424.519	2.002	50	0		HEAARM
CCOC(=O)c1ccccc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O	ZINC000019878597	521548924	/nfs/dbraw/zinc/54/89/24/521548924.db2.gz	QUUZCKSCDMZEDK-CQSZACIVSA-N	-1	0	400.412	2.381	50	0		HEAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21	ZINC000000856717	523352095	/nfs/dbraw/zinc/35/20/95/523352095.db2.gz	SCXMCONNAVKDNE-UHFFFAOYSA-N	-1	0	413.405	2.414	50	0		HEAARM
Cc1nc(-c2ccccc2Cl)sc1C(=O)N[C@H](CCCNC(N)=O)C(=O)[O-]	ZINC000040287977	526605796	/nfs/dbraw/zinc/60/57/96/526605796.db2.gz	UMZPSKSBMURWJA-GFCCVEGCSA-N	-1	0	410.883	2.403	50	0		HEAARM
COc1ccc(-c2nnnn2C)cc1S(=O)(=O)[N-]c1ccc(Br)cc1	ZINC000000624629	557021603	/nfs/dbraw/zinc/02/16/03/557021603.db2.gz	JLLXYGAKFGAPDP-UHFFFAOYSA-N	-1	0	424.280	2.449	50	0		HEAARM
O=C([O-])c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl	ZINC000000754823	557076577	/nfs/dbraw/zinc/07/65/77/557076577.db2.gz	MFFNFAWHKMNWLV-UHFFFAOYSA-N	-1	0	424.862	2.311	50	0		HEAARM
Cc1nc(N)nc(=NNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]1	ZINC000001042833	557154405	/nfs/dbraw/zinc/15/44/05/557154405.db2.gz	YMMBPJZNBBNPBH-UHFFFAOYSA-N	-1	0	416.307	2.105	50	0		HEAARM
O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Br	ZINC000002980089	557435140	/nfs/dbraw/zinc/43/51/40/557435140.db2.gz	HVYPRDSRHZJAQE-GDNBJRDFSA-N	-1	0	403.232	2.421	50	0		HEAARM
O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)[n-]c1=O)NCc1ccc(F)cc1	ZINC000034768535	557462921	/nfs/dbraw/zinc/46/29/21/557462921.db2.gz	BGCDKQLDCYFNPL-UHFFFAOYSA-N	-1	0	410.405	2.285	50	0		HEAARM
O=C([O-])Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1	ZINC000004649208	557575324	/nfs/dbraw/zinc/57/53/24/557575324.db2.gz	WKTXRIKZOQROJV-MRXNPFEDSA-N	-1	0	408.410	2.341	50	0		HEAARM
Nc1nc(SCC(=O)N2CCCCCC2)[n-]c(=O)c1NC(=O)c1cccs1	ZINC000002712417	557746202	/nfs/dbraw/zinc/74/62/02/557746202.db2.gz	UIJJTGOVIJFZFY-UHFFFAOYSA-N	-1	0	407.521	2.161	50	0		HEAARM
COc1ccccc1Cn1c(=O)c2ccc(C(=O)N3CCOCC3)cc2[n-]c1=S	ZINC000003043764	557787042	/nfs/dbraw/zinc/78/70/42/557787042.db2.gz	IHLBBSBPHHSOMG-UHFFFAOYSA-N	-1	0	411.483	2.215	50	0		HEAARM
Cc1nnsc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1	ZINC000020894196	558419945	/nfs/dbraw/zinc/41/99/45/558419945.db2.gz	AYDBLOBAFXHDTR-UHFFFAOYSA-N	-1	0	404.477	2.306	50	0		HEAARM
NC(=O)NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000013101040	558514387	/nfs/dbraw/zinc/51/43/87/558514387.db2.gz	NPGXQEQPNPQNAZ-UHFFFAOYSA-N	-1	0	417.274	2.401	50	0		HEAARM
COCCn1c(=O)cc([O-])nc1SCC(=O)Nc1cc(C)c(Cl)cc1OC	ZINC000013131288	558520150	/nfs/dbraw/zinc/52/01/50/558520150.db2.gz	YFUFKSWZBIFWSR-UHFFFAOYSA-N	-1	0	413.883	2.297	50	0		HEAARM
C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CC3(C(=O)[O-])CCCC3)cc2)C[C@H](C)O1	ZINC000013251411	558527934	/nfs/dbraw/zinc/52/79/34/558527934.db2.gz	JNRZYHCNMTZCLF-GJZGRUSLSA-N	-1	0	424.519	2.458	50	0		HEAARM
Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000013464595	558533065	/nfs/dbraw/zinc/53/30/65/558533065.db2.gz	JOVCRTPMPXWSBH-UHFFFAOYSA-N	-1	0	424.500	2.279	50	0		HEAARM
O=C([O-])C[C@@H](CNC(=O)CCn1nnc2ccccc2c1=O)c1ccc(Cl)cc1	ZINC000013624894	558550713	/nfs/dbraw/zinc/55/07/13/558550713.db2.gz	NWAPRBKODBKJPW-AWEZNQCLSA-N	-1	0	414.849	2.210	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccccc1F	ZINC000004483987	558603303	/nfs/dbraw/zinc/60/33/03/558603303.db2.gz	IXXYABAZZBPDFU-CVEARBPZSA-N	-1	0	403.320	2.036	50	0		HEAARM
CCOc1ccc([C@H]2CC(=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2)cc1	ZINC000017043980	558812762	/nfs/dbraw/zinc/81/27/62/558812762.db2.gz	FBZCIFFHRFHVGC-JLMFCZBYSA-N	-1	0	406.442	2.361	50	0		HEAARM
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)c1	ZINC000017088026	558816872	/nfs/dbraw/zinc/81/68/72/558816872.db2.gz	YUCXJZUNYMRLPQ-IRXDYDNUSA-N	-1	0	408.520	2.027	50	0		HEAARM
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1	ZINC000017092281	558820784	/nfs/dbraw/zinc/82/07/84/558820784.db2.gz	BPZIQUHWZSXTFP-RTBURBONSA-N	-1	0	420.531	2.310	50	0		HEAARM
CCCNC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1	ZINC000033078719	558868087	/nfs/dbraw/zinc/86/80/87/558868087.db2.gz	VJLHOUZFKGUTEB-UHFFFAOYSA-N	-1	0	424.501	2.285	50	0		HEAARM
CC(C)n1ccnc1Cn1c2cc(C(=O)[O-])cnc2n(CCc2ccccn2)c1=O	ZINC000055271690	558878394	/nfs/dbraw/zinc/87/83/94/558878394.db2.gz	VKEHOBFMSHFVFE-UHFFFAOYSA-N	-1	0	406.446	2.360	50	0		HEAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)N1CCc3ccccc3C1)c2=O	ZINC000033252487	558920834	/nfs/dbraw/zinc/92/08/34/558920834.db2.gz	ZCOHROUNEXRGQI-UHFFFAOYSA-N	-1	0	423.494	2.447	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCn2cnc3c(C)cccc3c2=O)c1	ZINC000022101081	558992144	/nfs/dbraw/zinc/99/21/44/558992144.db2.gz	ONLRMETVLUVAPM-UHFFFAOYSA-N	-1	0	415.471	2.233	50	0		HEAARM
O=C(c1ncccc1O)N1CCc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2C1	ZINC000077427817	559004864	/nfs/dbraw/zinc/00/48/64/559004864.db2.gz	WYTWUCHLOYLNBM-UHFFFAOYSA-N	-1	0	410.455	2.182	50	0		HEAARM
CC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000100033232	559128917	/nfs/dbraw/zinc/12/89/17/559128917.db2.gz	UOQDDJOQEXQNPV-OALUTQOASA-N	-1	0	405.414	2.130	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1	ZINC000100036855	559129097	/nfs/dbraw/zinc/12/90/97/559129097.db2.gz	IYUFIHGJRTZFMW-RBUKOAKNSA-N	-1	0	407.430	2.244	50	0		HEAARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3ccc(Cl)c(F)c3)c(=O)c1-2	ZINC000100208429	559177578	/nfs/dbraw/zinc/17/75/78/559177578.db2.gz	BVYZWNAJSRGEHM-HUUCEWRRSA-N	-1	0	401.781	2.040	50	0		HEAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2	ZINC000005574897	560623380	/nfs/dbraw/zinc/62/33/80/560623380.db2.gz	XDRCLOZXAWLPBR-UHFFFAOYSA-N	-1	0	406.504	2.300	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2cccc(OC)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100945013	560763533	/nfs/dbraw/zinc/76/35/33/560763533.db2.gz	WTZGRCIZQMWTLS-IEBWSBKVSA-N	-1	0	423.425	2.001	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1	ZINC000101166203	560787426	/nfs/dbraw/zinc/78/74/26/560787426.db2.gz	IWGMNONXXUIIGH-OALUTQOASA-N	-1	0	423.429	2.026	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1	ZINC000101416498	560794598	/nfs/dbraw/zinc/79/45/98/560794598.db2.gz	UXFKMSQYXUGKLD-RBUKOAKNSA-N	-1	0	407.430	2.244	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1	ZINC000101416650	560794658	/nfs/dbraw/zinc/79/46/58/560794658.db2.gz	OIUYCDNZMISOEJ-MOPGFXCFSA-N	-1	0	407.430	2.190	50	0		HEAARM
COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1	ZINC000101417451	560794787	/nfs/dbraw/zinc/79/47/87/560794787.db2.gz	MYMBCQBDNXPZPV-QZTJIDSGSA-N	-1	0	408.414	2.284	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1	ZINC000101892738	560804472	/nfs/dbraw/zinc/80/44/72/560804472.db2.gz	PDKYRYAOWUVWKU-SJORKVTESA-N	-1	0	404.386	2.239	50	0		HEAARM
COC(=O)c1ccc(COc2c(OC)cc([C@H]3N[C@H](C(=O)[O-])CS3)cc2OC)o1	ZINC000020606361	560885793	/nfs/dbraw/zinc/88/57/93/560885793.db2.gz	HOSCMJLFLVHKFN-SJCJKPOMSA-N	-1	0	423.443	2.451	50	0		HEAARM
CCCn1nc(C(=O)NN=Cc2ccccc2OCC(=O)[O-])c2ccccc2c1=O	ZINC000245285837	568462028	/nfs/dbraw/zinc/46/20/28/568462028.db2.gz	YXSXYUICHVJTMP-UHFFFAOYSA-N	-1	0	408.414	2.034	50	0		HEAARM
NC(=O)NCCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000080359067	568604168	/nfs/dbraw/zinc/60/41/68/568604168.db2.gz	GNCPQMYVOVHXGA-ZDUSSCGKSA-N	-1	0	410.883	2.024	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1ccc(F)cc1	ZINC000095481489	568633686	/nfs/dbraw/zinc/63/36/86/568633686.db2.gz	BWHGNSYALJOVLF-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCCN1CCOCC1	ZINC000020643573	568638657	/nfs/dbraw/zinc/63/86/57/568638657.db2.gz	MMLZQNCDNLURAB-UHFFFAOYSA-N	-1	0	404.536	2.068	50	0		HEAARM
CN(CCCC(=O)[O-])C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1	ZINC000095969621	568671282	/nfs/dbraw/zinc/67/12/82/568671282.db2.gz	BCIWDPQNYLYLRU-CYBMUJFWSA-N	-1	0	402.900	2.064	50	0		HEAARM
COC(=O)c1ccc([N-]S(=O)(=O)c2cc3n(c2)CCN(CC(C)C)C3=O)cc1	ZINC000096102059	568691161	/nfs/dbraw/zinc/69/11/61/568691161.db2.gz	SYDFZZQCVRZATG-UHFFFAOYSA-N	-1	0	405.476	2.187	50	0		HEAARM
COc1ccc(/C=C\C(=O)c2ccc(S(=O)(=O)NCCC(=O)[O-])cc2)c(OC)c1	ZINC000096401281	568694304	/nfs/dbraw/zinc/69/43/04/568694304.db2.gz	KFRKUKIHGDHCSJ-POHAHGRESA-N	-1	0	419.455	2.353	50	0		HEAARM
COc1cccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)c1	ZINC000096361289	568739288	/nfs/dbraw/zinc/73/92/88/568739288.db2.gz	GEKBTWPBIVIHLQ-UHFFFAOYSA-N	-1	0	404.423	2.288	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccccc2OC)cc1	ZINC000096361263	568739337	/nfs/dbraw/zinc/73/93/37/568739337.db2.gz	QYNLODXXYMCYLZ-UHFFFAOYSA-N	-1	0	416.459	2.158	50	0		HEAARM
CC(=O)O[C@H]1CC[C@]23C(=O)O[C@@]4(CC[C@@]2(O)C1)[C@H]1CC[C@@H](C(=O)[O-])[C@]1(C)CC[C@@H]34	ZINC000254570657	568756578	/nfs/dbraw/zinc/75/65/78/568756578.db2.gz	LHUPEQRPYAACKK-FJHJFBAUSA-N	-1	0	406.475	2.436	50	0		HEAARM
CCOC(=O)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccc(F)cc2)CC1	ZINC000022609720	568771917	/nfs/dbraw/zinc/77/19/17/568771917.db2.gz	NXTVQUKRJONFGD-CQSZACIVSA-N	-1	0	405.455	2.499	50	0		HEAARM
COc1ccc(CCN2C(=O)C[C@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)cc1OC	ZINC000002623499	568788588	/nfs/dbraw/zinc/78/85/88/568788588.db2.gz	CVUNJMLEQCREIL-KRWDZBQOSA-N	-1	0	412.442	2.113	50	0		HEAARM
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OCC(F)(F)F)c1	ZINC000012525886	568842830	/nfs/dbraw/zinc/84/28/30/568842830.db2.gz	JOAWZOJHLGHULX-UHFFFAOYSA-N	-1	0	410.395	2.076	50	0		HEAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	ZINC000003330248	568881848	/nfs/dbraw/zinc/88/18/48/568881848.db2.gz	SYJWNNMJEFWNPX-UHFFFAOYSA-N	-1	0	408.501	2.475	50	0		HEAARM
COC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281918	568959054	/nfs/dbraw/zinc/95/90/54/568959054.db2.gz	QAVKCTBJJVXIIA-NVXWUHKLSA-N	-1	0	413.817	2.256	50	0		HEAARM
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281915	568959115	/nfs/dbraw/zinc/95/91/15/568959115.db2.gz	ASMIFBZETFUJDX-WBVHZDCISA-N	-1	0	413.817	2.256	50	0		HEAARM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCC[C@@H]21	ZINC000007997924	568967545	/nfs/dbraw/zinc/96/75/45/568967545.db2.gz	HDACQVRGBOVJII-ZDNSCYFHSA-N	-1	0	416.518	2.383	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)[O-]	ZINC000008429575	569002815	/nfs/dbraw/zinc/00/28/15/569002815.db2.gz	AOGSMVLLLAZYGG-LRDDRELGSA-N	-1	0	416.927	2.356	50	0		HEAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cnc1N1CCOCC1	ZINC000035397694	569034955	/nfs/dbraw/zinc/03/49/55/569034955.db2.gz	NHHXQQHXWABKDE-UHFFFAOYSA-N	-1	0	417.487	2.296	50	0		HEAARM
O=C(NCc1cccnc1)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)o1	ZINC000035597435	569045675	/nfs/dbraw/zinc/04/56/75/569045675.db2.gz	NRBWUVUTHRPNOV-UHFFFAOYSA-N	-1	0	401.400	2.134	50	0		HEAARM
O=C([O-])CN1C(=O)/C(=C2/SC(=S)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000001462097	569056489	/nfs/dbraw/zinc/05/64/89/569056489.db2.gz	DEEXNTGBPHPSIZ-CCEZHUSRSA-N	-1	0	400.437	2.482	50	0		HEAARM
CCCC(=O)Nc1ccc(N2CCN(CC(=O)N3CCCCC3)CC2)cc1C(=O)[O-]	ZINC000064589367	569068995	/nfs/dbraw/zinc/06/89/95/569068995.db2.gz	AMJBFDGLOMMWPW-UHFFFAOYSA-N	-1	0	416.522	2.258	50	0		HEAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(c3ccccn3)CC1)cn2CC(=O)[O-]	ZINC000036353254	569147708	/nfs/dbraw/zinc/14/77/08/569147708.db2.gz	RYCNJGYXQTZTFG-OAQYLSRUSA-N	-1	0	424.457	2.077	50	0		HEAARM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(Cc3ccccn3)CC2)c1C(=O)[O-]	ZINC000036360100	569151344	/nfs/dbraw/zinc/15/13/44/569151344.db2.gz	YONDSDIGTUWXJY-HXUWFJFHSA-N	-1	0	408.458	2.215	50	0		HEAARM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(CCc3ccncc3)CC2)c1C(=O)[O-]	ZINC000036364988	569152553	/nfs/dbraw/zinc/15/25/53/569152553.db2.gz	GBBLYCZLVRJNRJ-OAQYLSRUSA-N	-1	0	422.485	2.258	50	0		HEAARM
Cc1cccc(-n2ncc3c2[nH]c(=O)c(C(=O)NCc2ccc4c(c2)OCO4)c3[O-])c1	ZINC000065249921	569205948	/nfs/dbraw/zinc/20/59/48/569205948.db2.gz	PAGUXKJABRAEHE-UHFFFAOYSA-N	-1	0	418.409	2.387	50	0		HEAARM
CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2C(N)=O)c1	ZINC000170591231	569240593	/nfs/dbraw/zinc/24/05/93/569240593.db2.gz	RMNOIUCQNGMDGZ-UHFFFAOYSA-N	-1	0	405.524	2.429	50	0		HEAARM
CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O	ZINC000170596614	569241666	/nfs/dbraw/zinc/24/16/66/569241666.db2.gz	HNJVAAHOPRVDCX-YPMHNXCESA-N	-1	0	405.804	2.265	50	0		HEAARM
Cc1cc(C(=O)[N-]S(=O)(=O)Cc2cccc3cccnc32)ccc1-n1cncn1	ZINC000089591405	569260858	/nfs/dbraw/zinc/26/08/58/569260858.db2.gz	GOYOKDZXKJJHRE-UHFFFAOYSA-N	-1	0	407.455	2.384	50	0		HEAARM
Cc1nc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@H]2C)cn1C	ZINC000089709023	569263021	/nfs/dbraw/zinc/26/30/21/569263021.db2.gz	OOQJTMSOGPVBRS-PELKAZGASA-N	-1	0	419.385	2.200	50	0		HEAARM
CCCCCCn1c(=O)[nH]c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c1=O	ZINC000017112438	569274856	/nfs/dbraw/zinc/27/48/56/569274856.db2.gz	PKCLLYZKWMXFRS-GJZGRUSLSA-N	-1	0	404.419	2.395	50	0	biogenic	HEAARM
CSC[C@H](NC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3)C(=O)[O-]	ZINC000002113305	569284084	/nfs/dbraw/zinc/28/40/84/569284084.db2.gz	WGUIXNVKQBERGS-HNNXBMFYSA-N	-1	0	405.472	2.291	50	0	biogenic	HEAARM
Cc1cc(C)n(-c2nc(C)nc(NC(=O)[N-]S(=O)(=O)c3ccccc3Cl)n2)n1	ZINC000002275141	569327744	/nfs/dbraw/zinc/32/77/44/569327744.db2.gz	KUKRSMNVKNEFGZ-UHFFFAOYSA-N	-1	0	421.870	2.146	50	0		HEAARM
C/C(=C1/C(=O)[N-]C(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C1=O)N(C)C	ZINC000012338642	569400445	/nfs/dbraw/zinc/40/04/45/569400445.db2.gz	DBNJKEQMPRYWHL-DHZHZOJOSA-N	-1	0	419.791	2.080	50	0		HEAARM
Cc1cccc2nc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)cn21	ZINC000007942578	569402051	/nfs/dbraw/zinc/40/20/51/569402051.db2.gz	UASBBFLCFDGBKI-UHFFFAOYSA-N	-1	0	408.443	2.486	50	0		HEAARM
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2)C[C@H](C)O1	ZINC000012979769	569405802	/nfs/dbraw/zinc/40/58/02/569405802.db2.gz	CJVPGVFMFOHRFC-GASCZTMLSA-N	-1	0	424.519	2.002	50	0		HEAARM
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)O[C@H](C)C(N)=O)c1	ZINC000013061648	569408297	/nfs/dbraw/zinc/40/82/97/569408297.db2.gz	SHQZKTILRCECMB-SNVBAGLBSA-N	-1	0	412.851	2.180	50	0		HEAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)NC1CCCCCC1	ZINC000013236068	569410280	/nfs/dbraw/zinc/41/02/80/569410280.db2.gz	BPXMPFOKXOSKRA-GOSISDBHSA-N	-1	0	400.479	2.302	50	0		HEAARM
CCOC(=O)c1cn(C)nc1[N-]S(=O)(=O)c1cc(Br)cnc1Cl	ZINC000328594534	569415824	/nfs/dbraw/zinc/41/58/24/569415824.db2.gz	RKSJSZQSNSVTPK-UHFFFAOYSA-N	-1	0	423.676	2.209	50	0		HEAARM
O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)c2ccncc2[O-])C1	ZINC000079054639	569425799	/nfs/dbraw/zinc/42/57/99/569425799.db2.gz	VGYUSPOLLCXJHO-NSHDSACASA-N	-1	0	405.252	2.436	50	0		HEAARM
O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2	ZINC000008695446	571102659	/nfs/dbraw/zinc/10/26/59/571102659.db2.gz	VBSJTKKSKXYAHT-PGRDOPGGSA-N	-1	0	421.409	2.286	50	0		HEAARM
C[C@@H](Sc1ncccn1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000008725716	571108249	/nfs/dbraw/zinc/10/82/49/571108249.db2.gz	XVYBOKNFXWRJTE-GFCCVEGCSA-N	-1	0	416.488	2.187	50	0		HEAARM
COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)CCC(=O)[O-])C2=O)cc1	ZINC000009334977	571249014	/nfs/dbraw/zinc/24/90/14/571249014.db2.gz	XDUCGTIOFIHOGA-LJQANCHMSA-N	-1	0	424.453	2.263	50	0		HEAARM
C[C@H](Sc1nncs1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009664364	571277900	/nfs/dbraw/zinc/27/79/00/571277900.db2.gz	YGHOKRQJLJOXTI-JTQLQIEISA-N	-1	0	422.517	2.248	50	0		HEAARM
CSCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OCc1ccccc1	ZINC000010319369	571300162	/nfs/dbraw/zinc/30/01/62/571300162.db2.gz	FFPHPBFVAOPKCM-MRXNPFEDSA-N	-1	0	419.528	2.095	50	0		HEAARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)cc3)C2=O)c1	ZINC000001152996	132239318	/nfs/dbraw/zinc/23/93/18/132239318.db2.gz	JRCHOKQXGJYFAW-CPNJWEJPSA-N	-1	0	407.426	2.198	50	0		HEAARM
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21	ZINC000003798757	293340726	/nfs/dbraw/zinc/34/07/26/293340726.db2.gz	HDACQVRGBOVJII-JBDAPHQKSA-N	-1	0	416.518	2.383	50	0	fda	HEAARM
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CSCc2ccccc2)C(=O)[O-])cc1	ZINC000000629822	557025530	/nfs/dbraw/zinc/02/55/30/557025530.db2.gz	RLZSYHXKILFHEH-KRWDZBQOSA-N	-1	0	408.501	2.310	50	0		HEAARM
CCOc1ccc(N2C(=O)C[C@H](N(Cc3ccco3)C(=O)CCC(=O)[O-])C2=O)cc1	ZINC000000842628	557097973	/nfs/dbraw/zinc/09/79/73/557097973.db2.gz	PPIVVBMMHRHXIP-KRWDZBQOSA-N	-1	0	414.414	2.204	50	0		HEAARM
CC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(F)c(F)c2)CC1	ZINC000022627494	557113528	/nfs/dbraw/zinc/11/35/28/557113528.db2.gz	HWEJDWFUSUXSCC-HNNXBMFYSA-N	-1	0	407.446	2.337	50	0		HEAARM
O=C([O-])CCC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000001501699	557270422	/nfs/dbraw/zinc/27/04/22/557270422.db2.gz	SUDBDBSZNQOHLW-UHFFFAOYSA-N	-1	0	414.911	2.349	50	0		HEAARM
Cc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)OCc2ccccc2)C(=O)[O-])cc1	ZINC000001576088	557273417	/nfs/dbraw/zinc/27/34/17/557273417.db2.gz	OZSAGZLRQMVNHG-GOSISDBHSA-N	-1	0	420.487	2.433	50	0		HEAARM
CCOC(=O)c1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)[O-])C2=O)cc1	ZINC000002876253	557416985	/nfs/dbraw/zinc/41/69/85/557416985.db2.gz	QGHHCXAATQGDQG-AWEZNQCLSA-N	-1	0	400.412	2.381	50	0		HEAARM
COCCOc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[n-]2)cc1	ZINC000034763857	557461163	/nfs/dbraw/zinc/46/11/63/557461163.db2.gz	UEOBZARCNVIXFE-UHFFFAOYSA-N	-1	0	400.479	2.461	50	0		HEAARM
C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-]	ZINC000004217387	557529659	/nfs/dbraw/zinc/52/96/59/557529659.db2.gz	FLSLEGPOVLMJMN-YSSFQJQWSA-N	-1	0	410.470	2.089	50	0	endogenous,in-man	HEAARM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000004321885	557540879	/nfs/dbraw/zinc/54/08/79/557540879.db2.gz	YPLGNDYBRBVBCT-MOPGFXCFSA-N	-1	0	414.458	2.455	50	0		HEAARM
CCCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000004814909	557601279	/nfs/dbraw/zinc/60/12/79/557601279.db2.gz	VBWUMLDLNOZDQT-IZZDOVSWSA-N	-1	0	413.224	2.224	50	0		HEAARM
Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ncn(Cc2ccccc2F)n1	ZINC000002804066	557763281	/nfs/dbraw/zinc/76/32/81/557763281.db2.gz	OQVBLZKYDTYRBB-UHFFFAOYSA-N	-1	0	400.386	2.475	50	0		HEAARM
CCc1nc2sc([C@H](c3ccccc3F)N3CCN(C(C)=O)CC3)c([O-])n2n1	ZINC000022855107	557842239	/nfs/dbraw/zinc/84/22/39/557842239.db2.gz	OVCXRCVCKVAVKJ-INIZCTEOSA-N	-1	0	403.483	2.451	50	0		HEAARM
CCC(NCCCn1ccnc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000020267703	558352847	/nfs/dbraw/zinc/35/28/47/558352847.db2.gz	BWASEXGMFJQIHX-FOCLMDBBSA-N	-1	0	401.854	2.463	50	0		HEAARM
COC(=O)[C@H](C)NC(=O)c1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)sc1C	ZINC000020736130	558407887	/nfs/dbraw/zinc/40/78/87/558407887.db2.gz	VVACYLPSZGBCNT-QMMMGPOBSA-N	-1	0	417.896	2.197	50	0		HEAARM
C[C@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000012940891	558487107	/nfs/dbraw/zinc/48/71/07/558487107.db2.gz	OZVQLBQFHPLGHA-ZDUSSCGKSA-N	-1	0	410.879	2.120	50	0		HEAARM
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)cc1	ZINC000013117736	558516472	/nfs/dbraw/zinc/51/64/72/558516472.db2.gz	CHUSKCXJALSSAD-UHFFFAOYSA-N	-1	0	420.443	2.049	50	0		HEAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1	ZINC000013722981	558582957	/nfs/dbraw/zinc/58/29/57/558582957.db2.gz	NLPWVGKIOKVIOE-FQEVSTJZSA-N	-1	0	420.469	2.331	50	0		HEAARM
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1	ZINC000024360221	558596200	/nfs/dbraw/zinc/59/62/00/558596200.db2.gz	SMILIRZRPOJNJV-UHFFFAOYSA-N	-1	0	418.349	2.200	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccccc1	ZINC000004484126	558603365	/nfs/dbraw/zinc/60/33/65/558603365.db2.gz	BYKVUQXTJNWEML-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OCc1ccccc1	ZINC000025038375	558627509	/nfs/dbraw/zinc/62/75/09/558627509.db2.gz	LEJCFFBHTDAOAO-KSSFIOAISA-N	-1	0	401.488	2.388	50	0		HEAARM
COc1ccc(Br)cc1CC(=O)[N-]S(=O)(=O)c1c(C)noc1C	ZINC000072305058	558757554	/nfs/dbraw/zinc/75/75/54/558757554.db2.gz	FBBWFVSGQDBOLT-UHFFFAOYSA-N	-1	0	403.254	2.110	50	0		HEAARM
CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002983207	558780176	/nfs/dbraw/zinc/78/01/76/558780176.db2.gz	FCZDJBFXGSPBAZ-ZWKOTPCHSA-N	-1	0	400.500	2.350	50	0		HEAARM
CCOC(=O)Nc1cccc(OS(=O)(=O)c2cc3c(c(C(=O)[O-])c2)OCCO3)c1	ZINC000038342392	558811312	/nfs/dbraw/zinc/81/13/12/558811312.db2.gz	RDXVKJLXMTUWND-UHFFFAOYSA-N	-1	0	423.399	2.492	50	0		HEAARM
CCOc1ccc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(Cc4ccccc4)C3=O)NN2)cc1	ZINC000017043976	558812809	/nfs/dbraw/zinc/81/28/09/558812809.db2.gz	FBZCIFFHRFHVGC-NSURYPBFSA-N	-1	0	406.442	2.361	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCCc2ccccc2)cc1	ZINC000097937912	558813643	/nfs/dbraw/zinc/81/36/43/558813643.db2.gz	OKLQYRBRXOZMPG-UHFFFAOYSA-N	-1	0	400.460	2.192	50	0	biogenic	HEAARM
CC1=C(C)C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)[C@@H](C(=O)[O-])C1	ZINC000017089281	558817929	/nfs/dbraw/zinc/81/79/29/558817929.db2.gz	KALWCNXWNQMLDY-GJZGRUSLSA-N	-1	0	412.533	2.028	50	0		HEAARM
C[C@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2cccnc2)C1	ZINC000017091063	558819719	/nfs/dbraw/zinc/81/97/19/558819719.db2.gz	DRQKMDACQMXZJP-LBPRGKRZSA-N	-1	0	417.487	2.238	50	0		HEAARM
O=C([O-])c1ccc([C@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1	ZINC000011859245	558836312	/nfs/dbraw/zinc/83/63/12/558836312.db2.gz	VNJFEEZJUVVZBF-IYOUNJFTSA-N	-1	0	408.332	2.489	50	0		HEAARM
COc1ccc(C)cc1[C@@H](C(=O)[O-])N1CCN(Cc2ccc3c(c2)OCO3)C(=O)C1	ZINC000055271940	558878405	/nfs/dbraw/zinc/87/84/05/558878405.db2.gz	LXQNVNDNEXNHKD-NRFANRHFSA-N	-1	0	412.442	2.202	50	0		HEAARM
CC[C@](C)(CC(=O)[O-])NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000095424874	558886668	/nfs/dbraw/zinc/88/66/68/558886668.db2.gz	SXLOOWFIQGGGCA-HXUWFJFHSA-N	-1	0	410.536	2.464	50	0		HEAARM
O=C([O-])c1cccc([C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)C2)c1	ZINC000095381261	559080549	/nfs/dbraw/zinc/08/05/49/559080549.db2.gz	FHTDBQCLPIVFQQ-CQSZACIVSA-N	-1	0	401.444	2.123	50	0		HEAARM
CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc(C)cc3)c(C(N)=O)n2)c1[O-]	ZINC000005151732	559253997	/nfs/dbraw/zinc/25/39/97/559253997.db2.gz	MMNIKDGVHWQHPG-UHFFFAOYSA-N	-1	0	405.414	2.287	50	0		HEAARM
CSCC[C@H](NC(=O)Cn1nc(-c2cccc3ccccc32)ccc1=O)C(=O)[O-]	ZINC000061718294	559293020	/nfs/dbraw/zinc/29/30/20/559293020.db2.gz	SSMMAFZXIDMHON-SFHVURJKSA-N	-1	0	411.483	2.386	50	0		HEAARM
O=S(=O)([N-]c1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc2c(c1)CCO2	ZINC000206847841	560749365	/nfs/dbraw/zinc/74/93/65/560749365.db2.gz	FSEDVNPCEWBHTM-INIZCTEOSA-N	-1	0	413.455	2.459	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1	ZINC000101166210	560787422	/nfs/dbraw/zinc/78/74/22/560787422.db2.gz	IWGMNONXXUIIGH-RBUKOAKNSA-N	-1	0	423.429	2.026	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000101416202	560794583	/nfs/dbraw/zinc/79/45/83/560794583.db2.gz	XDFABBKPWDMYOO-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCOC(=O)CCc1c(C)nc2[n-]c(CNc3cc(Cl)ccc3OC)nn2c1=O	ZINC000101803168	560802275	/nfs/dbraw/zinc/80/22/75/560802275.db2.gz	MEEHDXCUEUABPL-UHFFFAOYSA-N	-1	0	419.869	2.496	50	0		HEAARM
COc1ccc(C(=O)Nc2ccc(N(C)C[C@H]3COCCO3)c(C(=O)[O-])c2)cc1	ZINC000046053547	568425378	/nfs/dbraw/zinc/42/53/78/568425378.db2.gz	QYJQCZJLEJQFHB-KRWDZBQOSA-N	-1	0	400.431	2.497	50	0		HEAARM
Cc1noc(-c2csc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)c2)c1C	ZINC000049547930	568451559	/nfs/dbraw/zinc/45/15/59/568451559.db2.gz	HNADXWNOKOKLEB-UHFFFAOYSA-N	-1	0	413.502	2.468	50	0		HEAARM
CC(C)(CNC(=O)c1cc2ccccc2cc1[N-]S(C)(=O)=O)N1CCOCC1	ZINC000049590072	568453045	/nfs/dbraw/zinc/45/30/45/568453045.db2.gz	JMAZRQRWFSKJGZ-UHFFFAOYSA-N	-1	0	405.520	2.052	50	0		HEAARM
COc1ccc(/C=C(/NC(=O)c2ccc(OC)cc2)C(=O)NCCCC(=O)[O-])cc1	ZINC000033399402	568514459	/nfs/dbraw/zinc/51/44/59/568514459.db2.gz	ZXZDHGOZKSWUDK-XMHGGMMESA-N	-1	0	412.442	2.456	50	0		HEAARM
CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N([C@H](C)C1CC1)C1CC1	ZINC000095445227	568611612	/nfs/dbraw/zinc/61/16/12/568611612.db2.gz	QOBWYTAAOXKNJX-GFCCVEGCSA-N	-1	0	402.538	2.408	50	0		HEAARM
CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2N(C)C)c(OC)c1	ZINC000095445269	568611733	/nfs/dbraw/zinc/61/17/33/568611733.db2.gz	IXDTWYWGWDMTEL-UHFFFAOYSA-N	-1	0	413.521	2.324	50	0		HEAARM
O=C([O-])c1cccc(C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c1	ZINC000095445262	568611808	/nfs/dbraw/zinc/61/18/08/568611808.db2.gz	YHVOOGWHAFGKNZ-MRXNPFEDSA-N	-1	0	406.435	2.107	50	0		HEAARM
CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(CC)s2)cc1F	ZINC000095448006	568612492	/nfs/dbraw/zinc/61/24/92/568612492.db2.gz	TUHOVBWBWJKELA-UHFFFAOYSA-N	-1	0	408.502	2.192	50	0		HEAARM
Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)[N-]Cc3ccccc3)s2)cc1	ZINC000020486116	568613190	/nfs/dbraw/zinc/61/31/90/568613190.db2.gz	PIWVECLONRDHAR-UHFFFAOYSA-N	-1	0	418.500	2.343	50	0		HEAARM
COc1ccccc1C[C@@H](CNC(=O)[C@@H]1CCCN1C(=O)c1cccs1)C(=O)[O-]	ZINC000095464091	568622377	/nfs/dbraw/zinc/62/23/77/568622377.db2.gz	ONJZOCPWDUXEDY-HOTGVXAUSA-N	-1	0	416.499	2.421	50	0		HEAARM
CCOc1ccc(C[N-]S(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1OC	ZINC000020921824	568651045	/nfs/dbraw/zinc/65/10/45/568651045.db2.gz	QHQNLCPYNBAAHU-UHFFFAOYSA-N	-1	0	423.516	2.259	50	0		HEAARM
C[C@@H](CC(=O)[O-])NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	ZINC000095955760	568669340	/nfs/dbraw/zinc/66/93/40/568669340.db2.gz	XHGNVPLRQMVULN-LBPRGKRZSA-N	-1	0	402.900	2.498	50	0		HEAARM
O=C([O-])[C@@H]1CS(=O)(=O)CCN1C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000399740835	568712715	/nfs/dbraw/zinc/71/27/15/568712715.db2.gz	XTWXTTZLOJBEDT-SFHVURJKSA-N	-1	0	401.440	2.119	50	0		HEAARM
C[C@H](NC(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccc2c(c1)OCCO2	ZINC000021661331	568736086	/nfs/dbraw/zinc/73/60/86/568736086.db2.gz	ISKXBVMUYFMRGR-ZDUSSCGKSA-N	-1	0	415.471	2.437	50	0		HEAARM
Cc1cccc(N2CCN(c3ncc(NS(C)(=O)=O)cc3C(=O)[O-])C[C@H]2C)c1	ZINC000021883369	568758084	/nfs/dbraw/zinc/75/80/84/568758084.db2.gz	DLZUQZZFGALKIZ-CQSZACIVSA-N	-1	0	404.492	2.175	50	0		HEAARM
CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578197	568770415	/nfs/dbraw/zinc/77/04/15/568770415.db2.gz	PZKATGRBAPRZFH-MRXNPFEDSA-N	-1	0	421.954	2.412	50	0		HEAARM
CC(C)[C@@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000002902058	568815312	/nfs/dbraw/zinc/81/53/12/568815312.db2.gz	WTDFSYBNEFJMNA-NXIIHZOPSA-N	-1	0	410.426	2.412	50	0	biogenic	HEAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@H](C)[C@@H](c2ccccc2)N2CCOCC2)cc1	ZINC000003202192	568861516	/nfs/dbraw/zinc/86/15/16/568861516.db2.gz	GPAOJILOQKOBDM-XLIONFOSSA-N	-1	0	417.531	2.445	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)C2CCN(c3ccc(Cl)nn3)CC2)c1	ZINC000030515902	568868498	/nfs/dbraw/zinc/86/84/98/568868498.db2.gz	KAHQGPSEDFTCRS-UHFFFAOYSA-N	-1	0	424.910	2.484	50	0		HEAARM
Cc1ccc(-n2nnnc2SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(C)c1	ZINC000003298210	568875624	/nfs/dbraw/zinc/87/56/24/568875624.db2.gz	SCGNXWZOKCQNPO-SFHVURJKSA-N	-1	0	423.498	2.409	50	0		HEAARM
Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000004029261	568934329	/nfs/dbraw/zinc/93/43/29/568934329.db2.gz	GUFRKYXKZARZPK-SUKQMUEJSA-N	-1	0	407.419	2.028	50	0	biogenic	HEAARM
CCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc(Br)s1)c2=O	ZINC000015942089	569024213	/nfs/dbraw/zinc/02/42/13/569024213.db2.gz	BCNYFEOYHRQUDW-UHFFFAOYSA-N	-1	0	418.298	2.326	50	0		HEAARM
Cc1c(Br)c(C(F)F)nn1CC(=O)N1NC=C[C@@]1(O)C(F)(F)F	ZINC000006526786	569063160	/nfs/dbraw/zinc/06/31/60/569063160.db2.gz	DHUPJYXASHNQIN-SNVBAGLBSA-N	-1	0	405.121	2.361	50	0		HEAARM
CCCCNC(=O)CN1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589979	569069104	/nfs/dbraw/zinc/06/91/04/569069104.db2.gz	CJDYOWJFGYENQL-UHFFFAOYSA-N	-1	0	418.538	2.408	50	0		HEAARM
CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000006624155	569075482	/nfs/dbraw/zinc/07/54/82/569075482.db2.gz	AKWYEFSAEVMHJA-RDJZCZTQSA-N	-1	0	415.494	2.206	50	0	biogenic	HEAARM
CC1(C)CCc2c(cc(OCC(=O)NCCC(=O)[O-])c3c4c(c(=O)oc23)CCC4)O1	ZINC000006624084	569075490	/nfs/dbraw/zinc/07/54/90/569075490.db2.gz	NDSPHTHXHQWVAZ-UHFFFAOYSA-N	-1	0	415.442	2.355	50	0	biogenic	HEAARM
CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3Cc2ccc(F)cc2)CO1	ZINC000006719770	569098078	/nfs/dbraw/zinc/09/80/78/569098078.db2.gz	BTDGPSWGWMKJBU-UHFFFAOYSA-N	-1	0	418.446	2.348	50	0		HEAARM
O=C(Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)s1)N1CCCC1	ZINC000064919658	569120928	/nfs/dbraw/zinc/12/09/28/569120928.db2.gz	ZGHGGJPHNRJCIC-UHFFFAOYSA-N	-1	0	408.501	2.485	50	0		HEAARM
COc1cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)n(C)c2C)cc(OC)c1	ZINC000064922066	569122219	/nfs/dbraw/zinc/12/22/19/569122219.db2.gz	FDUIZXWHZIJARZ-UHFFFAOYSA-N	-1	0	407.492	2.388	50	0		HEAARM
O=C([N-]S(=O)(=O)c1ccc(Br)s1)c1cccc2c1OCCO2	ZINC000065643031	569239919	/nfs/dbraw/zinc/23/99/19/569239919.db2.gz	YNMNANGKDFOUSB-UHFFFAOYSA-N	-1	0	404.263	2.401	50	0		HEAARM
CC[C@]1(C)NC(=O)N([N-]C(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)C1=O	ZINC000170632534	569272503	/nfs/dbraw/zinc/27/25/03/569272503.db2.gz	RHLZURVXMXEDRN-IBGZPJMESA-N	-1	0	410.459	2.361	50	0		HEAARM
CCCCCCn1c(=O)[nH]c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c1=O	ZINC000017112436	569274844	/nfs/dbraw/zinc/27/48/44/569274844.db2.gz	PKCLLYZKWMXFRS-CABCVRRESA-N	-1	0	404.419	2.395	50	0	biogenic	HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)COc1ccc2ccc(=O)oc2c1	ZINC000002134914	569287609	/nfs/dbraw/zinc/28/76/09/569287609.db2.gz	OJKUBXKLEAFYTL-SFHVURJKSA-N	-1	0	422.393	2.171	50	0	biogenic	HEAARM
O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1	ZINC000002270763	569326522	/nfs/dbraw/zinc/32/65/22/569326522.db2.gz	JYIYOIFDGIEREV-GDNBJRDFSA-N	-1	0	403.232	2.421	50	0		HEAARM
CCc1nn2c(nc(C)c(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)c2=O)s1	ZINC000008594365	571087421	/nfs/dbraw/zinc/08/74/21/571087421.db2.gz	JCSLJQSEQNNYIU-UHFFFAOYSA-N	-1	0	414.896	2.485	50	0		HEAARM
COc1ccc(S(=O)(=O)N(C)C)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F	ZINC000008686616	571101583	/nfs/dbraw/zinc/10/15/83/571101583.db2.gz	GTVNZVKQNVNOHK-UHFFFAOYSA-N	-1	0	424.422	2.164	50	0		HEAARM
C[C@H](Sc1ncccn1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000008725715	571108204	/nfs/dbraw/zinc/10/82/04/571108204.db2.gz	XVYBOKNFXWRJTE-LBPRGKRZSA-N	-1	0	416.488	2.187	50	0		HEAARM
COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@]3(C2)C(=O)Nc2ccccc23)c(OC)c1	ZINC000009305552	571246512	/nfs/dbraw/zinc/24/65/12/571246512.db2.gz	DKHQHHYRYYFQOD-QFIPXVFZSA-N	-1	0	423.425	2.353	50	0		HEAARM
COc1ccc(-c2cnc(C(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)o2)cc1	ZINC000009321685	571248147	/nfs/dbraw/zinc/24/81/47/571248147.db2.gz	WGWKBMNROCMUMA-UHFFFAOYSA-N	-1	0	415.427	2.427	50	0		HEAARM
C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NC3(C(=O)[O-])CCCCC3)c2)C[C@@H](C)O1	ZINC000009498377	571263228	/nfs/dbraw/zinc/26/32/28/571263228.db2.gz	WUCKLLVLJFQFAW-HUUCEWRRSA-N	-1	0	424.519	2.002	50	0		HEAARM
CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)c1	ZINC000009685223	571279856	/nfs/dbraw/zinc/27/98/56/571279856.db2.gz	QUOAHKUCNLXNKO-UHFFFAOYSA-N	-1	0	419.503	2.118	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)cc4)c(=O)c2=3)cc1	ZINC000009835869	571287850	/nfs/dbraw/zinc/28/78/50/571287850.db2.gz	LNARJVUSSGFAFN-OALUTQOASA-N	-1	0	423.429	2.026	50	0		HEAARM
CSCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)[O-]	ZINC000009885219	571289436	/nfs/dbraw/zinc/28/94/36/571289436.db2.gz	HWIIJQRDJIENOP-INIZCTEOSA-N	-1	0	414.549	2.187	50	0		HEAARM
O=S(=O)([N-]c1cnc(N2CCOCC2)nc1)c1ccc(OC(F)(F)F)cc1	ZINC000077196711	571312464	/nfs/dbraw/zinc/31/24/64/571312464.db2.gz	FMMULAUJBLNLFI-UHFFFAOYSA-N	-1	0	404.370	2.013	50	0		HEAARM
O=c1n(CC[N-]S(=O)(=O)c2c(F)cccc2F)nc(C2CC2)n1-c1ccccc1	ZINC000077198181	571312680	/nfs/dbraw/zinc/31/26/80/571312680.db2.gz	MKBHBLUBVIQJCV-UHFFFAOYSA-N	-1	0	420.441	2.168	50	0		HEAARM
COc1cc([C@@H]2CC(=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)NN2)ccc1O	ZINC000008970796	132334349	/nfs/dbraw/zinc/33/43/49/132334349.db2.gz	KXFKIJSIRUXZQU-FSLWVPIDSA-N	-1	0	412.377	2.456	50	0		HEAARM
Cc1ccc2nc(N3CCN(C)CC3)c(/C=C3\SC(=S)N=C3[O-])c(=O)n2c1	ZINC000012377931	132359243	/nfs/dbraw/zinc/35/92/43/132359243.db2.gz	BMQATAJIOYXADH-LCYFTJDESA-N	-1	0	401.517	2.084	50	0		HEAARM
CC(=O)c1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2N2CCOCC2)cc1	ZINC000032971222	518409658	/nfs/dbraw/zinc/40/96/58/518409658.db2.gz	CRGNEQJRXZFGSJ-UHFFFAOYSA-N	-1	0	404.444	2.225	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(O[C@H]3CCSC3)nc2)cc1	ZINC000225713866	519679302	/nfs/dbraw/zinc/67/93/02/519679302.db2.gz	HUBUJIPYUZLJJH-HNNXBMFYSA-N	-1	0	421.500	2.043	50	0		HEAARM
CCCCC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CC(=O)NC(C)C)CC1	ZINC000032947202	519914086	/nfs/dbraw/zinc/91/40/86/519914086.db2.gz	BDNVRWFFNOOLJG-UHFFFAOYSA-N	-1	0	404.511	2.160	50	0		HEAARM
CCc1sc(C(=O)NCC(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1C	ZINC000032753151	523069622	/nfs/dbraw/zinc/06/96/22/523069622.db2.gz	YIZBSBCGCNRSFY-UHFFFAOYSA-N	-1	0	410.517	2.487	50	0		HEAARM
COc1ccccc1NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O	ZINC000044902548	524600023	/nfs/dbraw/zinc/60/00/23/524600023.db2.gz	HVQMSCCFTRWYJR-UHFFFAOYSA-N	-1	0	405.457	2.134	50	0		HEAARM
O=C([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCC(=O)N2	ZINC000042233236	526852193	/nfs/dbraw/zinc/85/21/93/526852193.db2.gz	JTDNWMNWRPKGCT-UHFFFAOYSA-N	-1	0	401.227	2.443	50	0		HEAARM
NS(=O)(=O)Nc1cccc([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1	ZINC000032932344	527300049	/nfs/dbraw/zinc/30/00/49/527300049.db2.gz	XUZWGKOVPDRHQY-UHFFFAOYSA-N	-1	0	411.383	2.001	50	0		HEAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(OCC(N)=O)c(C)cc1Cl	ZINC000001109004	557181684	/nfs/dbraw/zinc/18/16/84/557181684.db2.gz	SQHMUPATSFLMAW-UHFFFAOYSA-N	-1	0	412.851	2.100	50	0		HEAARM
O=C([O-])CNC(=O)/C(=C/c1ccccc1)NC(=O)c1cccc(Br)c1	ZINC000002117281	557315734	/nfs/dbraw/zinc/31/57/34/557315734.db2.gz	UECLACZFGKPWIF-DHDCSXOGSA-N	-1	0	403.232	2.421	50	0		HEAARM
CCN1c2ccc(S(=O)(=O)N[C@H](CCSC)C(=O)[O-])c3cccc(c23)C1=O	ZINC000002889415	557423182	/nfs/dbraw/zinc/42/31/82/557423182.db2.gz	ADCYAGYTUYVKHI-CYBMUJFWSA-N	-1	0	408.501	2.305	50	0		HEAARM
O=C([O-])c1cccc(NC(=S)N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)c1	ZINC000002905394	557425399	/nfs/dbraw/zinc/42/53/99/557425399.db2.gz	NZGKNVQUZKONHA-SNVBAGLBSA-N	-1	0	402.662	2.453	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1	ZINC000002950946	557430175	/nfs/dbraw/zinc/43/01/75/557430175.db2.gz	AREONUVFFXQLLD-UHFFFAOYSA-N	-1	0	408.304	2.459	50	0		HEAARM
CCCOc1ccc(-c2nnc(CCC(=O)NC[C@H]3CCCO3)c(=O)[n-]2)cc1OC	ZINC000034767183	557462398	/nfs/dbraw/zinc/46/23/98/557462398.db2.gz	JSXKGASJQUQFLL-OAHLLOKOSA-N	-1	0	416.478	2.269	50	0		HEAARM
COc1ccc(N2C(=O)C(=Cc3ccc(OCC(=O)[O-])c(OC)c3)NC2=S)cc1	ZINC000004660290	557577444	/nfs/dbraw/zinc/57/74/44/557577444.db2.gz	UTZGOZCCSVFUFE-DHDCSXOGSA-N	-1	0	414.439	2.429	50	0		HEAARM
C[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1)C(=O)[O-]	ZINC000004834117	557604408	/nfs/dbraw/zinc/60/44/08/557604408.db2.gz	WFTPTFUPDGULJN-LZAIMSLLSA-N	-1	0	407.220	2.402	50	0		HEAARM
C[C@H]1CN(C(=S)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)C[C@H](C)O1	ZINC000005041576	557628620	/nfs/dbraw/zinc/62/86/20/557628620.db2.gz	LLIVUENUKHJEGG-STQMWFEESA-N	-1	0	407.521	2.083	50	0		HEAARM
CC(C)[C@@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-]	ZINC000005522707	557659548	/nfs/dbraw/zinc/65/95/48/557659548.db2.gz	YEARSOVZWZNBTD-MSGBMKDASA-N	-1	0	400.387	2.005	50	0		HEAARM
COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C	ZINC000008715486	557801298	/nfs/dbraw/zinc/80/12/98/557801298.db2.gz	TXEKDOTTXWXJQF-UHFFFAOYSA-N	-1	0	411.439	2.338	50	0		HEAARM
CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@@H]2CCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000253951174	558261861	/nfs/dbraw/zinc/26/18/61/558261861.db2.gz	HDACQVRGBOVJII-ZKIDJSGLSA-N	-1	0	416.518	2.383	50	0		HEAARM
O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1=O	ZINC000019789580	558282288	/nfs/dbraw/zinc/28/22/88/558282288.db2.gz	INMMAGGRCJKHTO-INIZCTEOSA-N	-1	0	413.455	2.041	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(-n3cnnn3)ccc2Cl)c1	ZINC000020427194	558362500	/nfs/dbraw/zinc/36/25/00/558362500.db2.gz	FBLAWPGQEOYRCC-UHFFFAOYSA-N	-1	0	407.839	2.067	50	0		HEAARM
COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c1=O)NCC2	ZINC000020517544	558383080	/nfs/dbraw/zinc/38/30/80/558383080.db2.gz	XHKOFEAFLXOJQC-HXUWFJFHSA-N	-1	0	423.469	2.101	50	0		HEAARM
COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000004451782	558587923	/nfs/dbraw/zinc/58/79/23/558587923.db2.gz	DSGRLFQRBDLZQS-DOTOQJQBSA-N	-1	0	413.817	2.256	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1	ZINC000004483333	558602911	/nfs/dbraw/zinc/60/29/11/558602911.db2.gz	PZXVJEZOCFYRKE-RTBURBONSA-N	-1	0	407.430	2.326	50	0		HEAARM
O=c1c2ccccc2[n-]c(=S)n1Cc1ccc(S(=O)(=O)N2CCOCC2)s1	ZINC000028961869	558708055	/nfs/dbraw/zinc/70/80/55/558708055.db2.gz	CSCHTTFQVJZHKZ-UHFFFAOYSA-N	-1	0	423.541	2.190	50	0		HEAARM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1C	ZINC000017088022	558816859	/nfs/dbraw/zinc/81/68/59/558816859.db2.gz	ZXOLSDPSZQHVMR-ROUUACIJSA-N	-1	0	408.520	2.027	50	0		HEAARM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1C	ZINC000017088024	558816886	/nfs/dbraw/zinc/81/68/86/558816886.db2.gz	ZXOLSDPSZQHVMR-ZWKOTPCHSA-N	-1	0	408.520	2.027	50	0		HEAARM
CCn1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cn1	ZINC000017089313	558817989	/nfs/dbraw/zinc/81/79/89/558817989.db2.gz	PTPZYIJUXJDUBQ-UHFFFAOYSA-N	-1	0	412.537	2.124	50	0		HEAARM
CC(C)C[C@H](NC(=O)[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000584906342	558834292	/nfs/dbraw/zinc/83/42/92/558834292.db2.gz	HFBTYYNZKNDSJM-MPGHIAIKSA-N	-1	0	400.479	2.213	50	0		HEAARM
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)NCc2ccc(C(=O)[O-])cc2)n1	ZINC000049548930	558850200	/nfs/dbraw/zinc/85/02/00/558850200.db2.gz	ZVECQAVDQSFKPK-UHFFFAOYSA-N	-1	0	411.389	2.073	50	0		HEAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000065364321	558975308	/nfs/dbraw/zinc/97/53/08/558975308.db2.gz	HSXBYHCPPCASFP-UHFFFAOYSA-N	-1	0	414.480	2.420	50	0		HEAARM
CCN(CC)C(=O)N1CCc2ccc(S(=O)(=O)[N-]c3nnc(C)s3)cc2C1	ZINC000077505149	559007558	/nfs/dbraw/zinc/00/75/58/559007558.db2.gz	JXNIXOOCHLGFIM-UHFFFAOYSA-N	-1	0	409.537	2.467	50	0		HEAARM
CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O	ZINC000100701446	559138126	/nfs/dbraw/zinc/13/81/26/559138126.db2.gz	PCSSRQHXIFQPKI-UHFFFAOYSA-N	-1	0	401.444	2.017	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000005022180	559229432	/nfs/dbraw/zinc/22/94/32/559229432.db2.gz	ONTWLJTVVSVKPA-PKOBYXMFSA-N	-1	0	407.426	2.301	50	0		HEAARM
COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(N2CCCS2(=O)=O)ccc1C	ZINC000005075787	559240875	/nfs/dbraw/zinc/24/08/75/559240875.db2.gz	DSLDWXGHUVZBAE-UHFFFAOYSA-N	-1	0	414.480	2.483	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4)c=3c2=O)cc1Cl	ZINC000101168759	560787534	/nfs/dbraw/zinc/78/75/34/560787534.db2.gz	XZGQDOCVWOBSFK-IRXDYDNUSA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2	ZINC000101416155	560794585	/nfs/dbraw/zinc/79/45/85/560794585.db2.gz	SWZGJZOFSOIGSX-DLBZAZTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000101417682	560794797	/nfs/dbraw/zinc/79/47/97/560794797.db2.gz	XOUVBDXMTHMARP-SJORKVTESA-N	-1	0	412.377	2.114	50	0		HEAARM
COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cc(C)cc(C)c4)c3=O)=NN2)cc1	ZINC000101762952	560800874	/nfs/dbraw/zinc/80/08/74/560800874.db2.gz	VZRWHYCLDUUEMP-KRWDZBQOSA-N	-1	0	406.442	2.296	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(OC)cc3)C2)c1[O-]	ZINC000101764836	560801242	/nfs/dbraw/zinc/80/12/42/560801242.db2.gz	LLAKEIBFNVSRGN-MRXNPFEDSA-N	-1	0	414.462	2.139	50	0		HEAARM
CCc1nn2c([n-]1)nc(CSc1nnc(NC(=O)c3ccccc3)s1)cc2=O	ZINC000102621405	560818347	/nfs/dbraw/zinc/81/83/47/560818347.db2.gz	LWWGZRNNJWTMAD-UHFFFAOYSA-N	-1	0	413.488	2.376	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1	ZINC000101165926	560851139	/nfs/dbraw/zinc/85/11/39/560851139.db2.gz	JDIVWEUQJGVXAT-IRXDYDNUSA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1	ZINC000012201319	560891695	/nfs/dbraw/zinc/89/16/95/560891695.db2.gz	QDMOFFAGYGISBR-UHFFFAOYSA-N	-1	0	417.443	2.108	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc(-c2ccccc2)ncc1=O	ZINC000218187440	568476173	/nfs/dbraw/zinc/47/61/73/568476173.db2.gz	NSFHTHMCPLHZSG-IBGZPJMESA-N	-1	0	416.437	2.204	50	0		HEAARM
Cc1ccccc1OCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccccc2)s1	ZINC000020486113	568613171	/nfs/dbraw/zinc/61/31/71/568613171.db2.gz	NXWCSUVQQHIMIR-UHFFFAOYSA-N	-1	0	418.500	2.343	50	0		HEAARM
Cc1ccc(-c2nc(CC(=O)N(C)CC(=O)N3CCC(C(=O)[O-])CC3)cs2)cc1	ZINC000095970568	568671543	/nfs/dbraw/zinc/67/15/43/568671543.db2.gz	WCMMXVNHYCRFMH-UHFFFAOYSA-N	-1	0	415.515	2.443	50	0		HEAARM
COC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1	ZINC000095989849	568677783	/nfs/dbraw/zinc/67/77/83/568677783.db2.gz	YRJMWZRQTVQXIV-DMPWYTOCSA-N	-1	0	420.506	2.465	50	0		HEAARM
O=C([O-])CCC(=O)N(Cc1ccco1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000000842626	568689788	/nfs/dbraw/zinc/68/97/88/568689788.db2.gz	HAEOLDUUUKJWSF-OAHLLOKOSA-N	-1	0	404.806	2.459	50	0		HEAARM
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])nc2ccccn2c1=O	ZINC000096115918	568695500	/nfs/dbraw/zinc/69/55/00/568695500.db2.gz	OFXOCWMTLIZTLN-ZDUSSCGKSA-N	-1	0	414.414	2.121	50	0	biogenic	HEAARM
Cc1ccccc1C(=O)Nc1ccc(N2CCN(CC(=O)N(C)C)CC2)cc1C(=O)[O-]	ZINC000021886015	568758625	/nfs/dbraw/zinc/75/86/25/568758625.db2.gz	SFIXFOVKDYGHCR-UHFFFAOYSA-N	-1	0	424.501	2.156	50	0		HEAARM
O=S(=O)([N-]c1cc(C(F)(F)F)ccc1N1CCOCC1)c1cnc2n1CCC2	ZINC000097165057	568769359	/nfs/dbraw/zinc/76/93/59/568769359.db2.gz	LOSPIQGXCRRAKN-UHFFFAOYSA-N	-1	0	416.425	2.486	50	0		HEAARM
COc1cc([C@@H](c2sc3ncnn3c2[O-])N2CCC(O)CC2)cc(OC)c1OC	ZINC000022609952	568771834	/nfs/dbraw/zinc/77/18/34/568771834.db2.gz	KRRKWTRJENUPBS-HNNXBMFYSA-N	-1	0	420.491	2.068	50	0		HEAARM
Cc1ccc(-n2nnnc2SCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1	ZINC000003298216	568875535	/nfs/dbraw/zinc/87/55/35/568875535.db2.gz	HCQNXDQJOBIKJE-QGZVFWFLSA-N	-1	0	409.471	2.101	50	0		HEAARM
CCOC(=O)N1CCN(C(=O)COC(=O)c2cc(Cl)c([O-])c(Cl)c2)CC1	ZINC000003440802	568903580	/nfs/dbraw/zinc/90/35/80/568903580.db2.gz	FGRJJHSFBGHOOY-UHFFFAOYSA-N	-1	0	405.234	2.157	50	0		HEAARM
CCc1cc(=O)oc2c3c(cc(OCC(=O)NCCC(=O)[O-])c12)OC(C)(C)CC3	ZINC000004090534	568942059	/nfs/dbraw/zinc/94/20/59/568942059.db2.gz	NEMLWNBGUGPANU-UHFFFAOYSA-N	-1	0	403.431	2.429	50	0	biogenic	HEAARM
COc1ccc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)[N-]C=N3)cc1Cl	ZINC000015682359	568968769	/nfs/dbraw/zinc/96/87/69/568968769.db2.gz	FZAOXLRRANPQSI-UHFFFAOYSA-N	-1	0	401.853	2.101	50	0		HEAARM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	ZINC000012825591	569009289	/nfs/dbraw/zinc/00/92/89/569009289.db2.gz	DHEUDGNXYRMOBU-UHFFFAOYSA-N	-1	0	424.500	2.360	50	0		HEAARM
CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1	ZINC000012825595	569009298	/nfs/dbraw/zinc/00/92/98/569009298.db2.gz	UWVSHOAFWCCGFX-UHFFFAOYSA-N	-1	0	412.489	2.182	50	0		HEAARM
O=C(COc1cccc(F)c1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000006317169	569040297	/nfs/dbraw/zinc/04/02/97/569040297.db2.gz	BZAAIFOPRGYCKS-UHFFFAOYSA-N	-1	0	402.407	2.434	50	0		HEAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc2n(n1)CCCO2	ZINC000090583689	569041357	/nfs/dbraw/zinc/04/13/57/569041357.db2.gz	ITVFMRYTKRGKHU-UHFFFAOYSA-N	-1	0	405.461	2.175	50	0		HEAARM
COc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1	ZINC000064837102	569105006	/nfs/dbraw/zinc/10/50/06/569105006.db2.gz	DHEGWMJJZYPFHS-UHFFFAOYSA-N	-1	0	414.443	2.205	50	0		HEAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1	ZINC000006784732	569121254	/nfs/dbraw/zinc/12/12/54/569121254.db2.gz	ZTOADYUNJRFXHM-UHFFFAOYSA-N	-1	0	407.473	2.350	50	0		HEAARM
CCn1cc(C)c(C(=O)[O-])c1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000064980672	569140840	/nfs/dbraw/zinc/14/08/40/569140840.db2.gz	NRSHKWXVJCAJJS-UHFFFAOYSA-N	-1	0	413.474	2.130	50	0		HEAARM
COc1ccc(OC)c([C@H]2c3nc[nH]c3CCN2C(=O)N[C@H](C(=O)[O-])C(C)C)c1	ZINC000036369911	569153806	/nfs/dbraw/zinc/15/38/06/569153806.db2.gz	PFJIICOIIFTXSU-WMZOPIPTSA-N	-1	0	402.451	2.193	50	0	biogenic	HEAARM
O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000007050485	569211841	/nfs/dbraw/zinc/21/18/41/569211841.db2.gz	HGBHNXVIKRIXBZ-UHFFFAOYSA-N	-1	0	406.489	2.148	50	0		HEAARM
Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cccs2)cc1F	ZINC000007175003	569227390	/nfs/dbraw/zinc/22/73/90/569227390.db2.gz	XNSSTMSQBDUXEV-GFCCVEGCSA-N	-1	0	414.480	2.434	50	0		HEAARM
CCOC(=O)NC(=O)CSc1ccc(S(=O)(=O)N2CCCCCC2)cn1	ZINC000007372836	569234049	/nfs/dbraw/zinc/23/40/49/569234049.db2.gz	UQRRTNSPSUPRQU-UHFFFAOYSA-N	-1	0	401.510	2.011	50	0		HEAARM
CS(=O)(=O)c1ccc(-c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)nn1	ZINC000007428090	569238565	/nfs/dbraw/zinc/23/85/65/569238565.db2.gz	SBIYGPLOWGIBKF-UHFFFAOYSA-N	-1	0	407.448	2.487	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-]	ZINC000009883906	569251489	/nfs/dbraw/zinc/25/14/89/569251489.db2.gz	FHUOIRKDJNZVMW-NHYWBVRUSA-N	-1	0	402.900	2.354	50	0		HEAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCc1cccc(OC)c1)c2=O	ZINC000016960347	569269016	/nfs/dbraw/zinc/26/90/16/569269016.db2.gz	WDPCAHHLGHREGE-UHFFFAOYSA-N	-1	0	413.455	2.171	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000012664453	569402743	/nfs/dbraw/zinc/40/27/43/569402743.db2.gz	BSXPESPJBOPAOJ-XYPHTWIQSA-N	-1	0	415.494	2.206	50	0	biogenic	HEAARM
O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCOC[C@H]32)C(=O)N1c1ccc2c(c1)OCO2	ZINC000008695447	571102626	/nfs/dbraw/zinc/10/26/26/571102626.db2.gz	VBSJTKKSKXYAHT-AVRDEDQJSA-N	-1	0	421.409	2.286	50	0		HEAARM
CC(C)[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008738308	571110180	/nfs/dbraw/zinc/11/01/80/571110180.db2.gz	FIVYWKHQPXLMLA-APHBMKBZSA-N	-1	0	404.467	2.443	50	0		HEAARM
CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008971580	571197263	/nfs/dbraw/zinc/19/72/63/571197263.db2.gz	MYDLBGZFEPQYJJ-MSOLQXFVSA-N	-1	0	409.442	2.111	50	0	biogenic	HEAARM
COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1	ZINC000009096299	571220908	/nfs/dbraw/zinc/22/09/08/571220908.db2.gz	WYXJUDYEPRXLSG-UHFFFAOYSA-N	-1	0	408.476	2.271	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009108912	571222061	/nfs/dbraw/zinc/22/20/61/571222061.db2.gz	PGKZDBLPSWBQQE-CCKFTAQKSA-N	-1	0	423.469	2.089	50	0	biogenic	HEAARM
COc1cccc(-n2c(=O)[nH]c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)c1	ZINC000009348202	571250331	/nfs/dbraw/zinc/25/03/31/571250331.db2.gz	NCDUTPBHGOQXTD-FQEVSTJZSA-N	-1	0	418.453	2.299	50	0	biogenic	HEAARM
COC(=O)[C@@H](NC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)C(C)C	ZINC000009449200	571259857	/nfs/dbraw/zinc/25/98/57/571259857.db2.gz	IRCLLPXHPWKKEY-HNNXBMFYSA-N	-1	0	410.452	2.103	50	0		HEAARM
Cc1c2c(cc(=O)n1CCCN1CCCC1=O)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000030822919	525933403	/nfs/dbraw/zinc/93/34/03/525933403.db2.gz	RUGWQUGJTDMGFT-UHFFFAOYSA-N	-1	0	423.498	2.411	50	0		HEAARM
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000000629825	557025665	/nfs/dbraw/zinc/02/56/65/557025665.db2.gz	TZSSSBJFSDMCJE-GOSISDBHSA-N	-1	0	401.444	2.101	50	0		HEAARM
Cc1cccc(N(CC(N)=O)[C@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)c1	ZINC000001245495	557251163	/nfs/dbraw/zinc/25/11/63/557251163.db2.gz	FLOGCUDSCLNBCO-SFHVURJKSA-N	-1	0	413.455	2.207	50	0		HEAARM
CNS(=O)(=O)c1ccc(C(F)(F)F)cc1[S@](=O)c1ccccc1C(=O)[O-]	ZINC000004375733	557548740	/nfs/dbraw/zinc/54/87/40/557548740.db2.gz	PINDQHQXJFMBBT-VWLOTQADSA-N	-1	0	407.391	2.478	50	0		HEAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1	ZINC000004483241	557558816	/nfs/dbraw/zinc/55/88/16/557558816.db2.gz	LMBICMXQWVASQA-SJORKVTESA-N	-1	0	413.821	2.281	50	0		HEAARM
Cc1nn(C)c(C)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000002747743	557757266	/nfs/dbraw/zinc/75/72/66/557757266.db2.gz	YLQFTVGHSIXHHB-UHFFFAOYSA-N	-1	0	414.491	2.497	50	0		HEAARM
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)[N-]n1c(=O)c2ccccc2[nH]c1=S	ZINC000002790905	557761459	/nfs/dbraw/zinc/76/14/59/557761459.db2.gz	ZGLOQRSXMASVQT-UHFFFAOYSA-N	-1	0	403.773	2.475	50	0		HEAARM
COCCN1c2ccc([N-]S(=O)(=O)c3cc(OC)ccc3OC)cc2CCC1=O	ZINC000022688333	557779243	/nfs/dbraw/zinc/77/92/43/557779243.db2.gz	ALZIZULWFOAMLC-UHFFFAOYSA-N	-1	0	420.487	2.430	50	0		HEAARM
C[C@@H](CC(=O)[O-])CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000012383385	558393781	/nfs/dbraw/zinc/39/37/81/558393781.db2.gz	TXWJXHXFELLWIN-LLVKDONJSA-N	-1	0	423.318	2.327	50	0		HEAARM
C[C@@H]1Cc2ccccc2N1C(=O)CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013235776	558527643	/nfs/dbraw/zinc/52/76/43/558527643.db2.gz	YAXPWEZKMKXWAW-AUUYWEPGSA-N	-1	0	420.469	2.441	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1-c1ccccc1	ZINC000013411007	558532124	/nfs/dbraw/zinc/53/21/24/558532124.db2.gz	KCYYIEQBPSFZRD-KRWDZBQOSA-N	-1	0	422.470	2.048	50	0		HEAARM
Cc1nn(-c2ccccc2)nc1C(=O)[N-]N1C(=O)N[C@@](C)(CCc2ccccc2)C1=O	ZINC000023945794	558582184	/nfs/dbraw/zinc/58/21/84/558582184.db2.gz	AABVYXCXNPCDHJ-QFIPXVFZSA-N	-1	0	418.457	2.164	50	0		HEAARM
CCOc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2	ZINC000004483558	558602909	/nfs/dbraw/zinc/60/29/09/558602909.db2.gz	XCDJPWVSBGACQK-QZTJIDSGSA-N	-1	0	411.393	2.156	50	0		HEAARM
COc1ccc(-c2cc(C(=O)[O-])c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1	ZINC000026421272	558660584	/nfs/dbraw/zinc/66/05/84/558660584.db2.gz	VYKJXHTVPHRWSO-ZDUSSCGKSA-N	-1	0	401.444	2.473	50	0		HEAARM
Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(N3CCCS3(=O)=O)ccc2O)c1	ZINC000072307280	558767210	/nfs/dbraw/zinc/76/72/10/558767210.db2.gz	NJXVFKNCMXVSLI-UHFFFAOYSA-N	-1	0	400.453	2.180	50	0		HEAARM
O=C(CSCc1n[nH]c(=O)[n-]1)NCCOc1cccc(Oc2ccccc2)c1	ZINC000018155794	558832357	/nfs/dbraw/zinc/83/23/57/558832357.db2.gz	MNYLANCSXOSQBA-UHFFFAOYSA-N	-1	0	400.460	2.319	50	0		HEAARM
CC(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(C(=O)[O-])c1	ZINC000033078704	558868123	/nfs/dbraw/zinc/86/81/23/558868123.db2.gz	IKRFIXWTUSZSAF-UHFFFAOYSA-N	-1	0	410.474	2.412	50	0		HEAARM
COc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C(=O)[O-])c1OC	ZINC000057963239	558892113	/nfs/dbraw/zinc/89/21/13/558892113.db2.gz	STLDECIJFITJIJ-UHFFFAOYSA-N	-1	0	411.414	2.452	50	0		HEAARM
COc1cc(C)cc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCOCC3)c2)c1OC	ZINC000071730332	558908084	/nfs/dbraw/zinc/90/80/84/558908084.db2.gz	TYJNEAWPKIYHCZ-UHFFFAOYSA-N	-1	0	421.471	2.398	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H](O)CC(C)C)CC3)no1	ZINC000077440190	559005438	/nfs/dbraw/zinc/00/54/38/559005438.db2.gz	LQAIDXJYAFJOPD-KRWDZBQOSA-N	-1	0	407.492	2.076	50	0		HEAARM
CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3c(C)n[nH]c3C)cc2s1	ZINC000033298912	559048154	/nfs/dbraw/zinc/04/81/54/559048154.db2.gz	OYZCNVOXUXRRDJ-UHFFFAOYSA-N	-1	0	400.507	2.231	50	0		HEAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)n1	ZINC000100080837	559126860	/nfs/dbraw/zinc/12/68/60/559126860.db2.gz	VUXQBAWBTHTARM-IYBDPMFKSA-N	-1	0	400.460	2.265	50	0		HEAARM
COC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000005023828	559229888	/nfs/dbraw/zinc/22/98/88/559229888.db2.gz	OIXQBWWUZLQPJW-DOTOQJQBSA-N	-1	0	413.817	2.256	50	0		HEAARM
COc1ccc(C(=O)Nc2c(N)nc(SCc3ccccn3)[n-]c2=O)cc1OC	ZINC000005082115	559242878	/nfs/dbraw/zinc/24/28/78/559242878.db2.gz	OTIGPSIGIPPBPZ-UHFFFAOYSA-N	-1	0	413.459	2.309	50	0		HEAARM
CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000005119752	559247547	/nfs/dbraw/zinc/24/75/47/559247547.db2.gz	TUUCLBVYNIBPJK-SFHVURJKSA-N	-1	0	411.845	2.379	50	0		HEAARM
CCc1ccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)cc1	ZINC000011858331	559263114	/nfs/dbraw/zinc/26/31/14/559263114.db2.gz	BNPPOTJLMMIPRQ-UHFFFAOYSA-N	-1	0	424.500	2.125	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1	ZINC000101387147	560793883	/nfs/dbraw/zinc/79/38/83/560793883.db2.gz	VFVUSHZNFRDCSW-SJORKVTESA-N	-1	0	413.821	2.281	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc(F)cc1F	ZINC000101389018	560793991	/nfs/dbraw/zinc/79/39/91/560793991.db2.gz	JKJGGBJUVMZTIU-CVEARBPZSA-N	-1	0	421.310	2.175	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)NCc1ccccc1	ZINC000101389832	560794164	/nfs/dbraw/zinc/79/41/64/560794164.db2.gz	HPXJDIFMJJJYNA-IAGOWNOFSA-N	-1	0	415.812	2.089	50	0		HEAARM
COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000101417672	560794796	/nfs/dbraw/zinc/79/47/96/560794796.db2.gz	XOUVBDXMTHMARP-DLBZAZTESA-N	-1	0	412.377	2.114	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000101999614	560806920	/nfs/dbraw/zinc/80/69/20/560806920.db2.gz	CMKVAKQBVKWPIB-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
Cc1cc2nc(CN(C)C(=O)CC[C@]3(CCC(=O)[O-])CCC(=O)N3)[nH]c2cc1C	ZINC000218164228	568475884	/nfs/dbraw/zinc/47/58/84/568475884.db2.gz	RJOHDVMRALMHIA-NRFANRHFSA-N	-1	0	400.479	2.432	50	0		HEAARM
Cc1ccc(N2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c(C)c1	ZINC000220571963	568507004	/nfs/dbraw/zinc/50/70/04/568507004.db2.gz	QYCIRPSYIWZQIX-JOCHJYFZSA-N	-1	0	401.507	2.246	50	0		HEAARM
COc1cccc(CNC(=O)CCc2nnc(C(=O)[N-]c3nnc(C)s3)s2)c1	ZINC000033116060	568511071	/nfs/dbraw/zinc/51/10/71/568511071.db2.gz	WRNLKIZSZRWPOT-UHFFFAOYSA-N	-1	0	418.504	2.208	50	0		HEAARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)CNC(=O)c2ccc(C)s2)cc1OC	ZINC000095393699	568604366	/nfs/dbraw/zinc/60/43/66/568604366.db2.gz	DPDLJCOLXIJWPV-ZDUSSCGKSA-N	-1	0	406.460	2.136	50	0		HEAARM
CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCCc1ccc(OCC(=O)[O-])cc1	ZINC000095425571	568607879	/nfs/dbraw/zinc/60/78/79/568607879.db2.gz	FRAUYJQEJNYFGP-OAQYLSRUSA-N	-1	0	410.470	2.345	50	0		HEAARM
CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cc(N(C)C)nc2ccccc21	ZINC000241317041	568731082	/nfs/dbraw/zinc/73/10/82/568731082.db2.gz	LXHCXQJDFCTNMY-MRXNPFEDSA-N	-1	0	407.492	2.092	50	0		HEAARM
COc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(OC)cc1Br	ZINC000252508722	568752319	/nfs/dbraw/zinc/75/23/19/568752319.db2.gz	XRNMLSOCUDRMJG-UHFFFAOYSA-N	-1	0	415.265	2.366	50	0		HEAARM
Cc1cc(S(=O)(=O)N(C)C)cc([N-]S(=O)(=O)c2cccnc2Cl)c1C	ZINC000022408629	568767620	/nfs/dbraw/zinc/76/76/20/568767620.db2.gz	CVWHPHSHGFGJKP-UHFFFAOYSA-N	-1	0	403.913	2.403	50	0		HEAARM
CCOC(=O)N1CCN([C@H](c2sc3ncnn3c2[O-])c2ccc(F)cc2)CC1	ZINC000022609717	568771946	/nfs/dbraw/zinc/77/19/46/568771946.db2.gz	NXTVQUKRJONFGD-AWEZNQCLSA-N	-1	0	405.455	2.499	50	0		HEAARM
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)c1	ZINC000012556979	568855811	/nfs/dbraw/zinc/85/58/11/568855811.db2.gz	RRZSBLZYJFIECY-UHFFFAOYSA-N	-1	0	406.416	2.019	50	0		HEAARM
Cc1noc(C)c1S(=O)(=O)[N-]c1c2ccccc2oc1C(=O)N1CCOCC1	ZINC000012650554	568906504	/nfs/dbraw/zinc/90/65/04/568906504.db2.gz	OALYRSBESZPJDD-UHFFFAOYSA-N	-1	0	405.432	2.311	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000217709600	568907347	/nfs/dbraw/zinc/90/73/47/568907347.db2.gz	OIMVQOFXSNJXPR-LJQANCHMSA-N	-1	0	400.387	2.189	50	0	biogenic	HEAARM
CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cncc(Br)c2)C1=O	ZINC000008158269	568978799	/nfs/dbraw/zinc/97/87/99/568978799.db2.gz	SEAQVAPDFDAKRF-KRWDZBQOSA-N	-1	0	403.236	2.346	50	0		HEAARM
O=C(NCCCN1CCCC1=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000006146903	569014621	/nfs/dbraw/zinc/01/46/21/569014621.db2.gz	HSPNFRPPCDJLEM-UHFFFAOYSA-N	-1	0	419.478	2.369	50	0		HEAARM
COC(=O)c1cn(CCc2c3cc(OC)ccc3[nH]c2C(=O)[O-])cc2c(=O)[nH]nc1-2	ZINC000524729679	569051602	/nfs/dbraw/zinc/05/16/02/569051602.db2.gz	DLNNVMDTWNBWMG-UHFFFAOYSA-N	-1	0	410.386	2.306	50	0		HEAARM
CC[C@@H](C)[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)n1nnc2ccccc2c1=O	ZINC000238937257	569053901	/nfs/dbraw/zinc/05/39/01/569053901.db2.gz	USUQFNCQIMZJIS-ADAWSYLGSA-N	-1	0	400.479	2.386	50	0		HEAARM
CC(C)(C)C(=O)Nc1ccc(N2CCN(CC(=O)N3CCCC3)CC2)cc1C(=O)[O-]	ZINC000064589984	569069115	/nfs/dbraw/zinc/06/91/15/569069115.db2.gz	NPNMAZSZKYBOBP-UHFFFAOYSA-N	-1	0	416.522	2.114	50	0		HEAARM
CC1(C)CCc2c(cc(OCC(=O)NCC(=O)[O-])c3c4c(c(=O)oc23)CCCC4)O1	ZINC000006624575	569075566	/nfs/dbraw/zinc/07/55/66/569075566.db2.gz	LVTREXGAGXABOW-UHFFFAOYSA-N	-1	0	415.442	2.355	50	0	biogenic	HEAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1C	ZINC000006650771	569082159	/nfs/dbraw/zinc/08/21/59/569082159.db2.gz	HLNSPUAQMATZFR-UHFFFAOYSA-N	-1	0	414.443	2.140	50	0		HEAARM
CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CCc2ccccc2)CO1	ZINC000006670117	569086631	/nfs/dbraw/zinc/08/66/31/569086631.db2.gz	HZXJPCZAXIARTF-UHFFFAOYSA-N	-1	0	414.483	2.403	50	0		HEAARM
CC(NCCc1c[nH]cn1)=C1C(=O)[N-]C(=O)N(c2ccccc2C(F)(F)F)C1=O	ZINC000006904193	569178135	/nfs/dbraw/zinc/17/81/35/569178135.db2.gz	GGLYGWCHKAHHDX-GXDHUFHOSA-N	-1	0	407.352	2.118	50	0		HEAARM
COC(=O)[C@@H](C)NC(=O)c1nc([N-]S(=O)(=O)c2ccc(Cl)cc2)sc1C	ZINC000036576019	569200979	/nfs/dbraw/zinc/20/09/79/569200979.db2.gz	VVACYLPSZGBCNT-MRVPVSSYSA-N	-1	0	417.896	2.197	50	0		HEAARM
COCCn1c2nc(-c3ccc4c(c3)OCO4)cc(C(=O)[O-])c2c(=O)[nH]c1=S	ZINC000036617247	569208068	/nfs/dbraw/zinc/20/80/68/569208068.db2.gz	ULZYDJYMNVRVPD-UHFFFAOYSA-N	-1	0	401.400	2.194	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1)C(=O)[O-]	ZINC000238923550	569228441	/nfs/dbraw/zinc/22/84/41/569228441.db2.gz	OTCJMDDBGDSKNI-ADAWSYLGSA-N	-1	0	402.495	2.396	50	0		HEAARM
CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2[nH]n3ccnc3c2C(=O)OCC)cc1	ZINC000170594580	569241272	/nfs/dbraw/zinc/24/12/72/569241272.db2.gz	OOXJUPKVVLPIRO-UHFFFAOYSA-N	-1	0	420.447	2.207	50	0		HEAARM
CC(=O)N1CCc2cc(C(=O)N[C@H](c3nnn[n-]3)c3ccc(Cl)c(F)c3)ccc21	ZINC000170597620	569242210	/nfs/dbraw/zinc/24/22/10/569242210.db2.gz	FZEGUOUDPHREHP-KRWDZBQOSA-N	-1	0	414.828	2.421	50	0		HEAARM
COc1ccc(-c2nn3c(nc2=O)-c2cccc(C)c2N2C(=O)CC[C@@]23C(=O)[O-])cc1	ZINC000170620080	569248704	/nfs/dbraw/zinc/24/87/04/569248704.db2.gz	BBFINJAZCNAZAQ-JOCHJYFZSA-N	-1	0	418.409	2.167	50	0		HEAARM
CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-]	ZINC000009883907	569251476	/nfs/dbraw/zinc/25/14/76/569251476.db2.gz	FHUOIRKDJNZVMW-IAQYHMDHSA-N	-1	0	402.900	2.354	50	0		HEAARM
CSC[C@H](NC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3)C(=O)[O-]	ZINC000002121096	569285523	/nfs/dbraw/zinc/28/55/23/569285523.db2.gz	JBNBVVQCBYPKEL-AWEZNQCLSA-N	-1	0	405.472	2.291	50	0	biogenic	HEAARM
COc1cc(C(C)=NNC(=O)c2cc(Br)cn2C)ccc1OCC(=O)[O-]	ZINC000252506070	569291208	/nfs/dbraw/zinc/29/12/08/569291208.db2.gz	OWLUEFGSWUIFRJ-UHFFFAOYSA-N	-1	0	424.251	2.414	50	0		HEAARM
O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)c1	ZINC000007777998	569308841	/nfs/dbraw/zinc/30/88/41/569308841.db2.gz	LBDLAFFBJFFWKZ-UHFFFAOYSA-N	-1	0	416.927	2.352	50	0		HEAARM
NC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000253414643	569366939	/nfs/dbraw/zinc/36/69/39/569366939.db2.gz	YBPKCGYAHPIERK-INIZCTEOSA-N	-1	0	400.431	2.037	50	0	biogenic	HEAARM
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3c1c([O-])nc([O-])n(Cc2ccccc2)c1=O	ZINC000009012719	571211008	/nfs/dbraw/zinc/21/10/08/571211008.db2.gz	GAFYNYNAOBLSGP-HXUWFJFHSA-N	-1	0	418.453	2.428	50	0	biogenic	HEAARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=C1C[C@H](c2ccc3c(c2)OCO3)NN1	ZINC000009046034	571215619	/nfs/dbraw/zinc/21/56/19/571215619.db2.gz	XDHSIQHFKXEIJH-QFVIEVDGSA-N	-1	0	406.398	2.327	50	0		HEAARM
CCOC(=O)c1ccc2nc([N-][C@](NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1	ZINC000009090071	571220296	/nfs/dbraw/zinc/22/02/96/571220296.db2.gz	OZAYYZSYGMTCBX-OAHLLOKOSA-N	-1	0	419.381	2.453	50	0		HEAARM
Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(C)n1C	ZINC000009684813	571279591	/nfs/dbraw/zinc/27/95/91/571279591.db2.gz	BCBRGRSXXXKUAV-UHFFFAOYSA-N	-1	0	419.503	2.450	50	0		HEAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCSC[C@@H]43)C2=O)cc1	ZINC000008694623	132332271	/nfs/dbraw/zinc/33/22/71/132332271.db2.gz	OENKZWQKYICDPR-XMSQKQJNSA-N	-1	0	423.494	2.443	50	0		HEAARM
CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1	ZINC000032947231	519703864	/nfs/dbraw/zinc/70/38/64/519703864.db2.gz	UPOKDIHTLSMBME-UHFFFAOYSA-N	-1	0	414.437	2.243	50	0		HEAARM
CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(C(C)=O)CC2)cc1	ZINC000022627474	557113461	/nfs/dbraw/zinc/11/34/61/557113461.db2.gz	KNRNCEJFTKOHBO-KRWDZBQOSA-N	-1	0	415.519	2.457	50	0		HEAARM
COC(=O)c1cnc(=NNS(=O)(=O)c2ccc(Cl)cc2)[n-]c1C(F)(F)F	ZINC000001026571	557145445	/nfs/dbraw/zinc/14/54/45/557145445.db2.gz	RFAARMWUYAHZCA-UHFFFAOYSA-N	-1	0	410.761	2.241	50	0		HEAARM
CCN1c2ccc(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])c3cccc(c23)C1=O	ZINC000002889414	557423234	/nfs/dbraw/zinc/42/32/34/557423234.db2.gz	ADCYAGYTUYVKHI-ZDUSSCGKSA-N	-1	0	408.501	2.305	50	0		HEAARM
O=C([O-])c1cccc(NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl)c1	ZINC000002905393	557425405	/nfs/dbraw/zinc/42/54/05/557425405.db2.gz	NZGKNVQUZKONHA-JTQLQIEISA-N	-1	0	402.662	2.453	50	0		HEAARM
COc1cc(OC)cc(-c2nnc(CCC(=O)NCCOc3ccccc3)c(=O)[n-]2)c1	ZINC000034768212	557462949	/nfs/dbraw/zinc/46/29/49/557462949.db2.gz	HJBHFPZLJXBCBZ-UHFFFAOYSA-N	-1	0	424.457	2.389	50	0		HEAARM
C[C@@H](NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1CCCO1	ZINC000005041626	557628625	/nfs/dbraw/zinc/62/86/25/557628625.db2.gz	SGIFMUWXDOFORS-DOMZBBRYSA-N	-1	0	407.521	2.131	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21	ZINC000006664241	557712952	/nfs/dbraw/zinc/71/29/52/557712952.db2.gz	UCTABLVRAKRRDT-LHBDJYESSA-N	-1	0	413.433	2.298	50	0		HEAARM
COc1ccc(C(=O)Nc2c(N)nc(SCc3cccnc3)[n-]c2=O)cc1OC	ZINC000002712647	557742284	/nfs/dbraw/zinc/74/22/84/557742284.db2.gz	DPCHBQVOGHXQSM-UHFFFAOYSA-N	-1	0	413.459	2.309	50	0		HEAARM
O=C([O-])c1ccc(NC(=S)N[C@@H](NC(=O)CF)C(Cl)(Cl)Cl)cc1	ZINC000002706948	557744132	/nfs/dbraw/zinc/74/41/32/557744132.db2.gz	QNKQVUJYOUZGGE-SNVBAGLBSA-N	-1	0	402.662	2.453	50	0		HEAARM
CC1CCN(C(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)CC1	ZINC000002712418	557746156	/nfs/dbraw/zinc/74/61/56/557746156.db2.gz	LKAZVZXMSGNUQH-UHFFFAOYSA-N	-1	0	407.521	2.017	50	0		HEAARM
NC(=O)C1CCN(C(=O)CCCCCn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000002970221	557775150	/nfs/dbraw/zinc/77/51/50/557775150.db2.gz	SEUBDUARSAWBIB-UHFFFAOYSA-N	-1	0	402.520	2.343	50	0		HEAARM
O=C([O-])c1ccc(-n2nnnc2SCC(=O)c2cc3ccccc3oc2=O)cc1	ZINC000019853659	558296068	/nfs/dbraw/zinc/29/60/68/558296068.db2.gz	BUWDDAOVWQTMBF-UHFFFAOYSA-N	-1	0	408.395	2.442	50	0		HEAARM
C[C@H]1Oc2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)NC3CC3)cc2NC1=O	ZINC000012384891	558393950	/nfs/dbraw/zinc/39/39/50/558393950.db2.gz	RDVVOQIFLZULRR-LLVKDONJSA-N	-1	0	401.444	2.099	50	0		HEAARM
O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000020728675	558405580	/nfs/dbraw/zinc/40/55/80/558405580.db2.gz	NGUUMEWCJNNBDN-IBGZPJMESA-N	-1	0	417.462	2.439	50	0		HEAARM
Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1	ZINC000013032939	558505489	/nfs/dbraw/zinc/50/54/89/558505489.db2.gz	QDWZYSNJRAADEQ-LJQANCHMSA-N	-1	0	404.488	2.045	50	0		HEAARM
C[C@@H]1Cc2ccccc2N1C(=O)CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000013235770	558527726	/nfs/dbraw/zinc/52/77/26/558527726.db2.gz	YAXPWEZKMKXWAW-KUHUBIRLSA-N	-1	0	420.469	2.441	50	0		HEAARM
CC(C)[C@@H](NC(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1)C(=O)[O-]	ZINC000013576602	558543598	/nfs/dbraw/zinc/54/35/98/558543598.db2.gz	FDWHJQPUYLRTSP-RBUKOAKNSA-N	-1	0	421.453	2.419	50	0		HEAARM
O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1	ZINC000013577018	558543835	/nfs/dbraw/zinc/54/38/35/558543835.db2.gz	KGKXIHFHWCCXBH-OALUTQOASA-N	-1	0	419.437	2.269	50	0		HEAARM
COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc2c(c1)OCO2	ZINC000004554640	558722638	/nfs/dbraw/zinc/72/26/38/558722638.db2.gz	GMVHVIPCXLCLQP-SJCJKPOMSA-N	-1	0	403.412	2.431	50	0		HEAARM
Cc1ccc(N(CC(N)=O)[C@@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000004574609	558747414	/nfs/dbraw/zinc/74/74/14/558747414.db2.gz	ZMEXYPHYNNHILJ-GOSISDBHSA-N	-1	0	413.455	2.207	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2ccc(Cc3cc(C)n[nH]c3=O)cc2)c(OC)c1	ZINC000033026620	558760004	/nfs/dbraw/zinc/76/00/04/558760004.db2.gz	IGAHUGRIHDMAEI-UHFFFAOYSA-N	-1	0	415.471	2.487	50	0		HEAARM
O=C(COc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000016024909	558768801	/nfs/dbraw/zinc/76/88/01/558768801.db2.gz	QJKZFLMPAGVYAR-UHFFFAOYSA-N	-1	0	402.407	2.434	50	0		HEAARM
O=S(=O)([N-]NC(=S)NCc1ccccc1)c1ccc(Br)cc1	ZINC000017081816	558813702	/nfs/dbraw/zinc/81/37/02/558813702.db2.gz	BTGDRXIAERPQCI-UHFFFAOYSA-N	-1	0	400.323	2.307	50	0		HEAARM
O=C([O-])CSCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000017087350	558816211	/nfs/dbraw/zinc/81/62/11/558816211.db2.gz	ZAICSFMCPOGVSW-UHFFFAOYSA-N	-1	0	406.485	2.194	50	0		HEAARM
CC(C)(C)OC(=O)NC(C)(C)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)[O-]	ZINC000038846749	558818365	/nfs/dbraw/zinc/81/83/65/558818365.db2.gz	XTDFYWBRBUAIBZ-CQSZACIVSA-N	-1	0	416.421	2.354	50	0		HEAARM
COC(=O)c1cc(I)c([O-])c(I)c1	ZINC000038888013	558819718	/nfs/dbraw/zinc/81/97/18/558819718.db2.gz	MBNGCRHTBSWFLS-UHFFFAOYSA-N	-1	0	403.941	2.388	50	0		HEAARM
CC[C@@](C)(CC(=O)[O-])NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1	ZINC000095424873	558886616	/nfs/dbraw/zinc/88/66/16/558886616.db2.gz	SXLOOWFIQGGGCA-FQEVSTJZSA-N	-1	0	410.536	2.464	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H](C)n2cccn2)CC3)no1	ZINC000077458175	559005968	/nfs/dbraw/zinc/00/59/68/559005968.db2.gz	OCLWOUXWZFYRCS-AWEZNQCLSA-N	-1	0	415.475	2.126	50	0		HEAARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100165692	559167838	/nfs/dbraw/zinc/16/78/38/559167838.db2.gz	IBCWCPCOCVOGKE-GJZGRUSLSA-N	-1	0	417.343	2.266	50	0		HEAARM
O=C([O-])CCCC(=O)N1CCc2cc(S(=O)(=O)NCc3ccccc3)ccc21	ZINC000005026277	559230345	/nfs/dbraw/zinc/23/03/45/559230345.db2.gz	DSNPEKMJHRACQV-UHFFFAOYSA-N	-1	0	402.472	2.309	50	0		HEAARM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3F)C2=O)c2cc(Cl)ccc21	ZINC000014976627	560228083	/nfs/dbraw/zinc/22/80/83/560228083.db2.gz	SKLDVYDFQCXARY-FQEVSTJZSA-N	-1	0	416.792	2.107	50	0	in-vitro	HEAARM
CCOc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2	ZINC000101167485	560546384	/nfs/dbraw/zinc/54/63/84/560546384.db2.gz	XCDJPWVSBGACQK-ROUUACIJSA-N	-1	0	411.393	2.156	50	0		HEAARM
COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c1=O)NCC2	ZINC000018202265	560783825	/nfs/dbraw/zinc/78/38/25/560783825.db2.gz	XHKOFEAFLXOJQC-FQEVSTJZSA-N	-1	0	423.469	2.101	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccccc1F	ZINC000101169039	560787649	/nfs/dbraw/zinc/78/76/49/560787649.db2.gz	IXXYABAZZBPDFU-JKSUJKDBSA-N	-1	0	403.320	2.036	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccccc1	ZINC000101169576	560787744	/nfs/dbraw/zinc/78/77/44/560787744.db2.gz	BYKVUQXTJNWEML-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1	ZINC000101416648	560794656	/nfs/dbraw/zinc/79/46/56/560794656.db2.gz	OIUYCDNZMISOEJ-OALUTQOASA-N	-1	0	407.430	2.190	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(OCC)cc3)C2)c1[O-]	ZINC000101456326	560795585	/nfs/dbraw/zinc/79/55/85/560795585.db2.gz	TYQHMFIKIMCMHJ-KRWDZBQOSA-N	-1	0	414.462	2.139	50	0		HEAARM
CCOc1ccccc1[C@H]1CC(c2c([O-])n(C)c(=S)n(C)c2=O)=NN1C(C)=O	ZINC000101456844	560795708	/nfs/dbraw/zinc/79/57/08/560795708.db2.gz	HJIIHGUSFIRECY-CQSZACIVSA-N	-1	0	402.476	2.255	50	0		HEAARM
COc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3cc(C)cc(C)c3)c2=O)=NN1	ZINC000101763029	560800808	/nfs/dbraw/zinc/80/08/08/560800808.db2.gz	QYWGUNIATTXNSA-INIZCTEOSA-N	-1	0	406.442	2.296	50	0		HEAARM
COC(=O)c1ccc(COc2c(OC)cc([C@@H]3N[C@H](C(=O)[O-])CS3)cc2OC)o1	ZINC000020606360	560885823	/nfs/dbraw/zinc/88/58/23/560885823.db2.gz	HOSCMJLFLVHKFN-YVEFUNNKSA-N	-1	0	423.443	2.451	50	0		HEAARM
COc1ccccc1CN(C(=O)c1nn(C)cc1C(=O)[O-])c1cnn(CC(F)F)c1	ZINC000020617028	560885871	/nfs/dbraw/zinc/88/58/71/560885871.db2.gz	ZBPNHFHOMVAKRD-UHFFFAOYSA-N	-1	0	419.388	2.436	50	0		HEAARM
COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1	ZINC000012201301	560891737	/nfs/dbraw/zinc/89/17/37/560891737.db2.gz	WXSYVTLHEOCZHS-UHFFFAOYSA-N	-1	0	402.428	2.352	50	0		HEAARM
COc1ccc2c(C)c(CCC(=O)N3CCC[C@H](C(=O)[O-])C3)c(=O)oc2c1OC	ZINC000012296446	568462724	/nfs/dbraw/zinc/46/27/24/568462724.db2.gz	UDNBOGAVOJUEIM-ZDUSSCGKSA-N	-1	0	403.431	2.374	50	0	biogenic	HEAARM
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OCC)c(OCC(=O)[O-])cc1Cl	ZINC000000804366	568486602	/nfs/dbraw/zinc/48/66/02/568486602.db2.gz	PWSLLOXPEXOHOI-INIZCTEOSA-N	-1	0	412.826	2.393	50	0		HEAARM
O=C([O-])c1cccc(C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c1	ZINC000095445261	568611810	/nfs/dbraw/zinc/61/18/10/568611810.db2.gz	YHVOOGWHAFGKNZ-INIZCTEOSA-N	-1	0	406.435	2.107	50	0		HEAARM
CNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)c1	ZINC000095464059	568622355	/nfs/dbraw/zinc/62/23/55/568622355.db2.gz	AIWJKEPXAGBXCQ-OAHLLOKOSA-N	-1	0	414.842	2.333	50	0		HEAARM
CS(=O)(=O)Cc1noc([N-]S(=O)(=O)c2csc3ccc(Cl)cc23)n1	ZINC000095466315	568623942	/nfs/dbraw/zinc/62/39/42/568623942.db2.gz	KJRMHXYLXQOBGC-UHFFFAOYSA-N	-1	0	407.882	2.283	50	0		HEAARM
Cc1cc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)N2CCOCC2)sc1C	ZINC000095945397	568663378	/nfs/dbraw/zinc/66/33/78/568663378.db2.gz	AHMKLGVQBBGVPW-UHFFFAOYSA-N	-1	0	416.546	2.187	50	0		HEAARM
COC(=O)c1nnn(Cc2ccccc2)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1	ZINC000225694521	568665125	/nfs/dbraw/zinc/66/51/25/568665125.db2.gz	ZMWZFSDOMBIUJI-UHFFFAOYSA-N	-1	0	408.386	2.192	50	0		HEAARM
COC(=O)C[C@@H](c1cc(OC)c(O)c(OC)c1)c1c([O-])nc2ccc(C)cn2c1=O	ZINC000096115537	568695233	/nfs/dbraw/zinc/69/52/33/568695233.db2.gz	CPSONUGYLGOFFQ-ZDUSSCGKSA-N	-1	0	414.414	2.126	50	0	biogenic	HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)NCc1ccccc1	ZINC000096319807	568728325	/nfs/dbraw/zinc/72/83/25/568728325.db2.gz	HPXJDIFMJJJYNA-DLBZAZTESA-N	-1	0	415.812	2.089	50	0		HEAARM
CCOC(=O)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2cccc(F)c2)CC1	ZINC000022609581	568771697	/nfs/dbraw/zinc/77/16/97/568771697.db2.gz	AKLDJKUKBPBBEH-CQSZACIVSA-N	-1	0	405.455	2.499	50	0		HEAARM
CCOC(=O)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccc(OC)cc2)CC1	ZINC000022609459	568771803	/nfs/dbraw/zinc/77/18/03/568771803.db2.gz	OYOBYNHGVWVCJJ-OAHLLOKOSA-N	-1	0	417.491	2.369	50	0		HEAARM
O=C(CCCC1=Nc2ccccc2S(=O)(=O)[N-]1)NN1CCC[C@H]2C=CC=C[C@H]21	ZINC000230172896	568853785	/nfs/dbraw/zinc/85/37/85/568853785.db2.gz	MJCOJEAMEBGKOA-NVXWUHKLSA-N	-1	0	400.504	2.417	50	0		HEAARM
COc1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c(C(=O)[O-])cc1OC	ZINC000012556954	568856039	/nfs/dbraw/zinc/85/60/39/568856039.db2.gz	GZFAFCFYBDIYQK-UHFFFAOYSA-N	-1	0	409.416	2.364	50	0		HEAARM
COc1ccccc1-n1c(=O)[nH]c([O-])c([C@@H]2c3[nH]c4ccccc4c3CCN2C)c1=O	ZINC000003985167	568931306	/nfs/dbraw/zinc/93/13/06/568931306.db2.gz	OUQZQSNNIGHABI-HXUWFJFHSA-N	-1	0	418.453	2.299	50	0	biogenic	HEAARM
O=C([O-])c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1	ZINC000004269843	568956564	/nfs/dbraw/zinc/95/65/64/568956564.db2.gz	VNJFEEZJUVVZBF-HBUWYVDXSA-N	-1	0	408.332	2.489	50	0		HEAARM
O=C([O-])c1ccc([C@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)cc1	ZINC000004269841	568956637	/nfs/dbraw/zinc/95/66/37/568956637.db2.gz	VNJFEEZJUVVZBF-PMUMKWKESA-N	-1	0	408.332	2.489	50	0		HEAARM
COc1cccc([C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)c2nccn2C)c1	ZINC000012785042	568959552	/nfs/dbraw/zinc/95/95/52/568959552.db2.gz	OSOXZLYUKQLTNH-HNNXBMFYSA-N	-1	0	407.473	2.256	50	0		HEAARM
O=C(COC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)NC(=O)c1ccc(OC(F)F)cc1	ZINC000012909583	569021439	/nfs/dbraw/zinc/02/14/39/569021439.db2.gz	IIEXVUZAXMLWKF-PBWFPOADSA-N	-1	0	409.385	2.483	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)[C@H](C(=O)[O-])C1	ZINC000006393574	569046490	/nfs/dbraw/zinc/04/64/90/569046490.db2.gz	SFFCNOGGECLVON-LSDHHAIUSA-N	-1	0	400.435	2.329	50	0		HEAARM
CC(C)CC(=O)Nc1ccc(N2CCN(CC(=O)NC(C)(C)C)CC2)cc1C(=O)[O-]	ZINC000064589827	569069107	/nfs/dbraw/zinc/06/91/07/569069107.db2.gz	RPJFVQYJFHEVCE-UHFFFAOYSA-N	-1	0	418.538	2.406	50	0		HEAARM
O=C([N-]N1CC(=O)NC1=O)c1cc2cc(Br)cc(Br)c2o1	ZINC000064655651	569076602	/nfs/dbraw/zinc/07/66/02/569076602.db2.gz	FHSHSNCKOJYJAF-UHFFFAOYSA-N	-1	0	417.013	2.154	50	0		HEAARM
COc1cccc(/C=C2\SC(=O)N(CC(=O)N3CCCC[C@@H]3C(=O)[O-])C2=O)c1	ZINC000006660920	569085080	/nfs/dbraw/zinc/08/50/80/569085080.db2.gz	JGFOOXXNDKXMLX-MKRLJBPISA-N	-1	0	404.444	2.197	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2OC)c(OC)c1	ZINC000064837124	569105044	/nfs/dbraw/zinc/10/50/44/569105044.db2.gz	NIWZMIDDEAZUFW-UHFFFAOYSA-N	-1	0	417.443	2.264	50	0		HEAARM
C[C@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1cccc(Br)c1)C(=O)[O-]	ZINC000006794567	569125607	/nfs/dbraw/zinc/12/56/07/569125607.db2.gz	FALTYPKSKKRQLF-RSYJBZMQSA-N	-1	0	407.220	2.402	50	0		HEAARM
NC(=O)[C@@H]1CCCN1[C@H](C(=O)[O-])c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21	ZINC000036357414	569148920	/nfs/dbraw/zinc/14/89/20/569148920.db2.gz	XWSGGXFVUNAKCE-OALUTQOASA-N	-1	0	406.442	2.496	50	0		HEAARM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000170598259	569242369	/nfs/dbraw/zinc/24/23/69/569242369.db2.gz	JQWDRBZTONGFEP-LYIQGSDWSA-N	-1	0	407.410	2.453	50	0		HEAARM
O=C([O-])Cn1cc(C=C2C(=O)NC(=S)N(Cc3ccco3)C2=O)c2ccccc21	ZINC000006400198	569259146	/nfs/dbraw/zinc/25/91/46/569259146.db2.gz	KSKJBYQWWVPQRP-NVNXTCNLSA-N	-1	0	409.423	2.146	50	0		HEAARM
C[C@@H](CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)[S@@](C)=O	ZINC000089895520	569267948	/nfs/dbraw/zinc/26/79/48/569267948.db2.gz	CVRDEDCDLDKTJX-MCFWBGNESA-N	-1	0	400.547	2.436	50	0		HEAARM
C[C@@H](CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)[S@](C)=O	ZINC000089895516	569267963	/nfs/dbraw/zinc/26/79/63/569267963.db2.gz	CVRDEDCDLDKTJX-FNODVLLQSA-N	-1	0	400.547	2.436	50	0		HEAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCc1ccc(OC)cc1)c2=O	ZINC000016953763	569268480	/nfs/dbraw/zinc/26/84/80/569268480.db2.gz	QKRUTTTZRBLLNO-UHFFFAOYSA-N	-1	0	413.455	2.171	50	0		HEAARM
O=C([O-])[C@@H](NC(=O)CCCCCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1	ZINC000002130947	569287069	/nfs/dbraw/zinc/28/70/69/569287069.db2.gz	UJBMHCCYDWVSNI-IBGZPJMESA-N	-1	0	409.442	2.192	50	0	biogenic	HEAARM
COc1ccc(S(=O)(=O)[N-]c2nonc2C(=O)N2CCCC2)c(Cl)c1Cl	ZINC000252496471	569290807	/nfs/dbraw/zinc/29/08/07/569290807.db2.gz	PJEMDVPDQJZVOK-UHFFFAOYSA-N	-1	0	421.262	2.422	50	0		HEAARM
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2)C[C@@H](C)O1	ZINC000012979766	569405796	/nfs/dbraw/zinc/40/57/96/569405796.db2.gz	CJVPGVFMFOHRFC-HUUCEWRRSA-N	-1	0	424.519	2.002	50	0		HEAARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2I)o1	ZINC000078661439	569414590	/nfs/dbraw/zinc/41/45/90/569414590.db2.gz	CQNRPYHFPHYGKN-UHFFFAOYSA-N	-1	0	407.185	2.472	50	0		HEAARM
CC(C)[C@H](NC(=O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1)C(=O)[O-]	ZINC000009129424	571227345	/nfs/dbraw/zinc/22/73/45/571227345.db2.gz	FDWHJQPUYLRTSP-OALUTQOASA-N	-1	0	421.453	2.419	50	0		HEAARM
COc1ccc(C)cc1[C@@H](C)NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2	ZINC000069515411	571228751	/nfs/dbraw/zinc/22/87/51/571228751.db2.gz	AGXYCLSVGYXCFE-GFCCVEGCSA-N	-1	0	413.459	2.190	50	0		HEAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c1	ZINC000009153186	571231416	/nfs/dbraw/zinc/23/14/16/571231416.db2.gz	UAZKBFAHDMPREC-UHFFFAOYSA-N	-1	0	408.439	2.382	50	0		HEAARM
COC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)C(OC(C)=O)=S2[O-]	ZINC000004660573	132281149	/nfs/dbraw/zinc/28/11/49/132281149.db2.gz	BFNSVDFANCNQHP-PIIWDFAUSA-N	-1	0	401.440	2.325	50	0		HEAARM
CCOC(=O)c1ccccc1N1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O	ZINC000000938448	521550173	/nfs/dbraw/zinc/55/01/73/521550173.db2.gz	QUUZCKSCDMZEDK-AWEZNQCLSA-N	-1	0	400.412	2.381	50	0		HEAARM
COc1ccc(CCN2C(=O)C[C@@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)cc1OC	ZINC000025480898	523945471	/nfs/dbraw/zinc/94/54/71/523945471.db2.gz	CVUNJMLEQCREIL-QGZVFWFLSA-N	-1	0	412.442	2.113	50	0		HEAARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	ZINC000032755032	526380017	/nfs/dbraw/zinc/38/00/17/526380017.db2.gz	LMMPPYVZCFLPRG-UHFFFAOYSA-N	-1	0	424.500	2.360	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CC(C)C)C(=O)[O-]	ZINC000012889479	535704327	/nfs/dbraw/zinc/70/43/27/535704327.db2.gz	KAHOOFXNRWPHND-XUWXXGDYSA-N	-1	0	418.494	2.185	50	0	biogenic	HEAARM
COc1ccc(CCN(C(=O)C=CC(=O)[O-])[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000001889236	557294173	/nfs/dbraw/zinc/29/41/73/557294173.db2.gz	AWCJJRJNTFVAQV-TZZQJPOUSA-N	-1	0	422.437	2.039	50	0		HEAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)OC[C@H]2CN(Cc3ccccc3)CCO2)cc1	ZINC000004334861	557543251	/nfs/dbraw/zinc/54/32/51/557543251.db2.gz	OWIADZOKVAYOGG-GOSISDBHSA-N	-1	0	404.488	2.311	50	0		HEAARM
COc1cc(S(=O)(=O)NCCOc2ccc(C(=O)[O-])cc2)c(OC)cc1Cl	ZINC000004727439	557587655	/nfs/dbraw/zinc/58/76/55/557587655.db2.gz	FSQFFHCRYRLGTN-UHFFFAOYSA-N	-1	0	415.851	2.413	50	0		HEAARM
C[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1)C(=O)[O-]	ZINC000004755686	557593746	/nfs/dbraw/zinc/59/37/46/557593746.db2.gz	KOFDFWBHYYWRPW-GMROUXNLSA-N	-1	0	407.220	2.402	50	0		HEAARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1	ZINC000006730624	557718090	/nfs/dbraw/zinc/71/80/90/557718090.db2.gz	DEVQKDGHVWARPY-NEPJUHHUSA-N	-1	0	420.940	2.125	50	0		HEAARM
CS(=O)(=O)c1cc(I)cc(I)c1[O-]	ZINC000008873224	557813035	/nfs/dbraw/zinc/81/30/35/557813035.db2.gz	YABBGVHLJVZYIX-UHFFFAOYSA-N	-1	0	423.997	2.005	50	0		HEAARM
CC(=O)N1c2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc2C[C@H]1C	ZINC000013460144	558263903	/nfs/dbraw/zinc/26/39/03/558263903.db2.gz	UYLLRZONOQHQGE-ACJLOTCBSA-N	-1	0	402.472	2.478	50	0		HEAARM
COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2cccc3nsnc32)cc1OC	ZINC000012371220	558389510	/nfs/dbraw/zinc/38/95/10/558389510.db2.gz	KGGWBRHSXYJWQF-LBPRGKRZSA-N	-1	0	423.472	2.203	50	0		HEAARM
O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1	ZINC000013577020	558543821	/nfs/dbraw/zinc/54/38/21/558543821.db2.gz	VPDNVSYOQLENHM-OALUTQOASA-N	-1	0	419.437	2.269	50	0		HEAARM
O=C(NCc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1	ZINC000024358713	558595951	/nfs/dbraw/zinc/59/59/51/558595951.db2.gz	RPVTVDBLMRHVKP-OAHLLOKOSA-N	-1	0	409.895	2.122	50	0		HEAARM
C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2c(c1)OC(F)(F)O2	ZINC000016104019	558771976	/nfs/dbraw/zinc/77/19/76/558771976.db2.gz	IPIABNHFYMNKSP-VIFPVBQESA-N	-1	0	402.350	2.453	50	0		HEAARM
O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(N2CCOCC2)c2nonc21	ZINC000017081844	558813777	/nfs/dbraw/zinc/81/37/77/558813777.db2.gz	OLUQOMNJKBXIFQ-DCNYZXSGSA-N	-1	0	400.435	2.135	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)[C@H](C(=O)[O-])C1	ZINC000017089283	558817920	/nfs/dbraw/zinc/81/79/20/558817920.db2.gz	KALWCNXWNQMLDY-LSDHHAIUSA-N	-1	0	412.533	2.028	50	0		HEAARM
O=C([O-])COCC(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCCC2	ZINC000017091064	558819764	/nfs/dbraw/zinc/81/97/64/558819764.db2.gz	VKLIODAIHDACSI-UHFFFAOYSA-N	-1	0	417.487	2.382	50	0		HEAARM
COc1ccc(-c2ccc(=O)n(CC(=O)NCC3CCC(C(=O)[O-])CC3)n2)c(F)c1	ZINC000049549381	558850191	/nfs/dbraw/zinc/85/01/91/558850191.db2.gz	BXRNJIOTNGNJFI-UHFFFAOYSA-N	-1	0	417.437	2.065	50	0		HEAARM
CS(=O)(=O)[N-]c1nc2ccc(NC(=O)C3CCN(C(=O)C4CC4)CC3)cc2s1	ZINC000058106753	558899379	/nfs/dbraw/zinc/89/93/79/558899379.db2.gz	KXQLSDAOHZFOMW-UHFFFAOYSA-N	-1	0	422.532	2.255	50	0		HEAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-n3nnnc3SC)c2)c1	ZINC000058229877	558913843	/nfs/dbraw/zinc/91/38/43/558913843.db2.gz	ZFSSUMCERCJDRG-UHFFFAOYSA-N	-1	0	407.477	2.202	50	0		HEAARM
COc1ccccc1N1CCN(c2ccc(NS(C)(=O)=O)cc2C(=O)[O-])CC1	ZINC000033253072	558921269	/nfs/dbraw/zinc/92/12/69/558921269.db2.gz	KIWBIEKTBVSTAO-UHFFFAOYSA-N	-1	0	405.476	2.092	50	0		HEAARM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1	ZINC000334160495	558980031	/nfs/dbraw/zinc/98/00/31/558980031.db2.gz	FYAIHNAYWAEEEU-QGZVFWFLSA-N	-1	0	404.430	2.192	50	0		HEAARM
COc1ccc(CCn2nc(C(=O)[O-])c3c2CCN(C(=O)c2ccncc2)C3)cc1	ZINC000067803240	558992993	/nfs/dbraw/zinc/99/29/93/558992993.db2.gz	CJKFEUKHIPEMRM-UHFFFAOYSA-N	-1	0	406.442	2.426	50	0		HEAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1	ZINC000100033118	559128854	/nfs/dbraw/zinc/12/88/54/559128854.db2.gz	LMBICMXQWVASQA-DLBZAZTESA-N	-1	0	413.821	2.281	50	0		HEAARM
O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc(Cl)cc4)CC3)C2=O)cc1	ZINC000100056445	559129290	/nfs/dbraw/zinc/12/92/90/559129290.db2.gz	MRBYPBJHVJZLNN-GOSISDBHSA-N	-1	0	413.861	2.492	50	0		HEAARM
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c(=O)nc2ccc(Cl)cn2c1[O-]	ZINC000205946113	559177744	/nfs/dbraw/zinc/17/77/44/559177744.db2.gz	HODLOQKHHTWZEU-LBPRGKRZSA-N	-1	0	404.806	2.463	50	0		HEAARM
COC[C@@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1	ZINC000023718147	559179400	/nfs/dbraw/zinc/17/94/00/559179400.db2.gz	ZGZNUWOBMJSMNK-LLVKDONJSA-N	-1	0	420.459	2.079	50	0		HEAARM
CCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000100613699	559242391	/nfs/dbraw/zinc/24/23/91/559242391.db2.gz	GIGGIWWKKZFXJQ-UHFFFAOYSA-N	-1	0	416.437	2.310	50	0		HEAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cc(C)cc(C)c1	ZINC000011858328	559263077	/nfs/dbraw/zinc/26/30/77/559263077.db2.gz	SVGRGENFGBKFDE-UHFFFAOYSA-N	-1	0	424.500	2.179	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c([O-])[nH]c(=O)n(-c2ccccc2C)c1=O	ZINC000100792119	559267320	/nfs/dbraw/zinc/26/73/20/559267320.db2.gz	NOCKKTWDROTOSL-CVEARBPZSA-N	-1	0	410.382	2.123	50	0	biogenic	HEAARM
Cn1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)[O-])cc2cc(Cl)ccc21	ZINC000005307200	560563514	/nfs/dbraw/zinc/56/35/14/560563514.db2.gz	ILSMDNXHGZCIMC-INIZCTEOSA-N	-1	0	413.861	2.374	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccccc1F	ZINC000101165874	560787300	/nfs/dbraw/zinc/78/73/00/560787300.db2.gz	DKVRTVNPDGWUTK-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1	ZINC000101165929	560787305	/nfs/dbraw/zinc/78/73/05/560787305.db2.gz	JDIVWEUQJGVXAT-SJORKVTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(Cl)c4)c=3c2=O)cc1	ZINC000101165932	560787312	/nfs/dbraw/zinc/78/73/12/560787312.db2.gz	JDIVWEUQJGVXAT-DLBZAZTESA-N	-1	0	413.821	2.281	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccccc1	ZINC000101169582	560787740	/nfs/dbraw/zinc/78/77/40/560787740.db2.gz	BYKVUQXTJNWEML-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cccc(Cl)c1	ZINC000101387950	560793889	/nfs/dbraw/zinc/79/38/89/560793889.db2.gz	IHZJRGWYGHJROO-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)cc4)c=3c2=O)cc1	ZINC000101416656	560794635	/nfs/dbraw/zinc/79/46/35/560794635.db2.gz	MYHKIHCHFKDSCS-OALUTQOASA-N	-1	0	407.430	2.190	50	0		HEAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(C)s3)C2)c1[O-]	ZINC000101764929	560799566	/nfs/dbraw/zinc/79/95/66/560799566.db2.gz	ZERGBUUGCGSYBO-CYBMUJFWSA-N	-1	0	404.492	2.500	50	0		HEAARM
COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)c(OC)c1	ZINC000101762105	560800502	/nfs/dbraw/zinc/80/05/02/560800502.db2.gz	NRISOTPZGHWVLW-OAHLLOKOSA-N	-1	0	414.462	2.203	50	0		HEAARM
COc1ccccc1N1CCN(Cc2cc(=O)n3nc(-c4cccs4)[n-]c3n2)CC1	ZINC000101841958	560801250	/nfs/dbraw/zinc/80/12/50/560801250.db2.gz	DQTPMADKUXSTMX-UHFFFAOYSA-N	-1	0	422.514	2.477	50	0		HEAARM
COc1ccccc1Oc1c(C)oc2cc(OCC(=O)NCC(=O)[O-])ccc2c1=O	ZINC000012296571	568462717	/nfs/dbraw/zinc/46/27/17/568462717.db2.gz	URRDOPVQKNJADY-UHFFFAOYSA-N	-1	0	413.382	2.482	50	0	biogenic	HEAARM
CS(=O)(=O)Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)c(C(=O)[O-])c1	ZINC000033253222	568512089	/nfs/dbraw/zinc/51/20/89/568512089.db2.gz	HVKWNCLKPWEROV-UHFFFAOYSA-N	-1	0	407.467	2.218	50	0		HEAARM
CC1(C)CC(=O)c2c(O)cc(OCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cc2O1	ZINC000020763329	568642651	/nfs/dbraw/zinc/64/26/51/568642651.db2.gz	BQFWHEBDCDOCTN-HNNXBMFYSA-N	-1	0	413.426	2.327	50	0	biogenic	HEAARM
CCc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1	ZINC000095977802	568673818	/nfs/dbraw/zinc/67/38/18/568673818.db2.gz	IVHIZLVHVYRQON-UHFFFAOYSA-N	-1	0	416.546	2.132	50	0		HEAARM
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c([O-])nc2ccccn2c1=O	ZINC000096115540	568695055	/nfs/dbraw/zinc/69/50/55/568695055.db2.gz	AQCQAUNZLMLICN-ZDUSSCGKSA-N	-1	0	414.414	2.121	50	0	biogenic	HEAARM
Cc1cc(=O)n2nc(CN(c3ccc(F)cc3)S(=O)(=O)c3ccccc3)[n-]c2n1	ZINC000021796096	568753854	/nfs/dbraw/zinc/75/38/54/568753854.db2.gz	DLUSQJULDZCVIH-UHFFFAOYSA-N	-1	0	413.434	2.261	50	0		HEAARM
CNC(=O)CSc1nc2cc(S(=O)(=O)[N-]c3ccccc3OC)ccc2o1	ZINC000002645520	568794909	/nfs/dbraw/zinc/79/49/09/568794909.db2.gz	BCJSUEINHWRTKO-UHFFFAOYSA-N	-1	0	407.473	2.475	50	0		HEAARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1	ZINC000226751915	568823338	/nfs/dbraw/zinc/82/33/38/568823338.db2.gz	ODSKMZNLKHAQBH-ZIAGYGMSSA-N	-1	0	401.488	2.472	50	0		HEAARM
O=C([O-])CNC(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1	ZINC000012545988	568850427	/nfs/dbraw/zinc/85/04/27/568850427.db2.gz	NLMQTICSLYVXDT-UHFFFAOYSA-N	-1	0	408.383	2.473	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CSc2nc3ccccc3o2)cc1	ZINC000003333627	568882495	/nfs/dbraw/zinc/88/24/95/568882495.db2.gz	ZGIMHPOGKKOSKL-UHFFFAOYSA-N	-1	0	405.457	2.383	50	0		HEAARM
Cc1c(C)[n+]([O-])c([C@H](c2c([O-])n(C)c(=O)n(C)c2=O)C(C)C)n1Cc1ccccc1	ZINC000263588071	568883533	/nfs/dbraw/zinc/88/35/33/568883533.db2.gz	OSWPFOZGAHFAMV-KRWDZBQOSA-N	-1	0	412.490	2.193	50	0		HEAARM
Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2nnc(Sc3cnccn3)s2)cc1	ZINC000004110272	568910134	/nfs/dbraw/zinc/91/01/34/568910134.db2.gz	IEUNMPXGNDJPRT-UHFFFAOYSA-N	-1	0	408.490	2.298	50	0		HEAARM
CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c(=O)[nH]c(=O)n(Cc2ccccc2)c1[O-]	ZINC000003985160	568931217	/nfs/dbraw/zinc/93/12/17/568931217.db2.gz	NGKSGHOITBEMOT-FQEVSTJZSA-N	-1	0	402.454	2.349	50	0	biogenic	HEAARM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H]1CCCN(Cc2cccs2)C1	ZINC000670456241	568936343	/nfs/dbraw/zinc/93/63/43/568936343.db2.gz	ZUGLNBQAVODAGP-AWEZNQCLSA-N	-1	0	410.517	2.398	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-]	ZINC000004090700	568942204	/nfs/dbraw/zinc/94/22/04/568942204.db2.gz	UIRBMPIYOKMRML-XUWXXGDYSA-N	-1	0	418.494	2.185	50	0	biogenic	HEAARM
COc1ccc(-c2nn(CCC(=O)[O-])cc2/C=C2\SC(=N)NC2=O)cc1OC	ZINC000004269641	568956569	/nfs/dbraw/zinc/95/65/69/568956569.db2.gz	RGJRHDUTZZCQDU-ZSOIEALJSA-N	-1	0	402.432	2.181	50	0		HEAARM
O=C([O-])c1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cc1	ZINC000008429582	569002745	/nfs/dbraw/zinc/00/27/45/569002745.db2.gz	BNLWOIVNUJGLGB-UHFFFAOYSA-N	-1	0	408.501	2.163	50	0		HEAARM
O=C([O-])C[C@H](CC(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1)c1cccs1	ZINC000090607348	569041987	/nfs/dbraw/zinc/04/19/87/569041987.db2.gz	NXNRRIPKJDFURL-AWEZNQCLSA-N	-1	0	414.549	2.017	50	0		HEAARM
O=C(CSc1n[nH]c(=O)[n-]c1=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000001792202	569053201	/nfs/dbraw/zinc/05/32/01/569053201.db2.gz	HBGNLGDROSUSDO-UHFFFAOYSA-N	-1	0	416.846	2.073	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1	ZINC000006770167	569115975	/nfs/dbraw/zinc/11/59/75/569115975.db2.gz	OIUYCDNZMISOEJ-RTBURBONSA-N	-1	0	407.430	2.190	50	0		HEAARM
NC(=O)[C@@H]1CCCN1[C@@H](C(=O)[O-])c1c[nH]c2cc(NC(=O)c3ccccc3)ccc21	ZINC000036357415	569148944	/nfs/dbraw/zinc/14/89/44/569148944.db2.gz	XWSGGXFVUNAKCE-RBUKOAKNSA-N	-1	0	406.442	2.496	50	0		HEAARM
C[C@H](CO)NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1	ZINC000036576585	569201149	/nfs/dbraw/zinc/20/11/49/569201149.db2.gz	KAMGZDZIJXIQIK-SNVBAGLBSA-N	-1	0	409.464	2.347	50	0		HEAARM
Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)[N-]c1ccccc1S(=O)(=O)N(C)C	ZINC000170609146	569244868	/nfs/dbraw/zinc/24/48/68/569244868.db2.gz	JYBIQWTWPAMAFN-UHFFFAOYSA-N	-1	0	414.553	2.306	50	0		HEAARM
COCCOc1ccc(S(=O)(=O)[N-]c2nnc(-c3ccc4c(c3)OCO4)o2)cc1	ZINC000170609130	569244910	/nfs/dbraw/zinc/24/49/10/569244910.db2.gz	MOVQOVYVIBBIPC-UHFFFAOYSA-N	-1	0	419.415	2.291	50	0		HEAARM
CC[C@H](C)C(=O)O[C@@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21	ZINC000027646890	569385664	/nfs/dbraw/zinc/38/56/64/569385664.db2.gz	TUZYXOIXSAXUGO-COTBSFPMSA-N	-1	0	424.534	2.440	50	0	in-vitro	HEAARM
COc1cc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1Cl	ZINC000013365074	569412271	/nfs/dbraw/zinc/41/22/71/569412271.db2.gz	FAYWLKOPPQBIHH-UHFFFAOYSA-N	-1	0	411.867	2.348	50	0		HEAARM
COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)[O-])c2)ccc1O	ZINC000079054861	569425833	/nfs/dbraw/zinc/42/58/33/569425833.db2.gz	ACEJRYVJQCXNJI-UHFFFAOYSA-N	-1	0	407.400	2.027	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(=O)[nH]c(=O)n([C@H](C)c2ccccc2)c1[O-]	ZINC000009130098	571227514	/nfs/dbraw/zinc/22/75/14/571227514.db2.gz	LGLPYAVKDHVDSW-DIFFPNOSSA-N	-1	0	424.409	2.129	50	0		HEAARM
Nc1nc(SCC(=O)N2CCc3ccccc32)[n-]c(=O)c1NC(=O)c1ccccc1	ZINC000009518023	571265597	/nfs/dbraw/zinc/26/55/97/571265597.db2.gz	OERLEXVRWBBTLA-UHFFFAOYSA-N	-1	0	421.482	2.286	50	0		HEAARM
COC(=O)c1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1	ZINC000009762011	571284633	/nfs/dbraw/zinc/28/46/33/571284633.db2.gz	JMLBSBDOXCQPOL-UHFFFAOYSA-N	-1	0	423.447	2.454	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NCc3ccco3)cs2)cc1	ZINC000009828636	571287053	/nfs/dbraw/zinc/28/70/53/571287053.db2.gz	OLIVVWSGKJSUOX-UHFFFAOYSA-N	-1	0	407.473	2.404	50	0		HEAARM
CSCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[N-]OCc1ccccc1	ZINC000010319368	571300120	/nfs/dbraw/zinc/30/01/20/571300120.db2.gz	FFPHPBFVAOPKCM-INIZCTEOSA-N	-1	0	419.528	2.095	50	0		HEAARM
Cc1nc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)sc1C(=O)[O-]	ZINC000014123839	571309602	/nfs/dbraw/zinc/30/96/02/571309602.db2.gz	IICSDMRKEXLKQX-CYBMUJFWSA-N	-1	0	409.489	2.332	50	0		HEAARM
C[C@@](CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)(C(=O)[O-])c1ccccc1	ZINC000032771964	525739982	/nfs/dbraw/zinc/73/99/82/525739982.db2.gz	GFYFHEBCHQAITJ-FQEVSTJZSA-N	-1	0	402.472	2.498	50	0		HEAARM
O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)cc1O	ZINC000041181987	526377704	/nfs/dbraw/zinc/37/77/04/526377704.db2.gz	MLJSPQJVTIADNR-UHFFFAOYSA-N	-1	0	424.818	2.063	50	0		HEAARM
O=C1COc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3Sc3nc[nH]n3)cc2N1	ZINC000032932328	527015653	/nfs/dbraw/zinc/01/56/53/527015653.db2.gz	FVAMEBZRQXJOPI-UHFFFAOYSA-N	-1	0	421.435	2.227	50	0		HEAARM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OCC	ZINC000001164615	557220045	/nfs/dbraw/zinc/22/00/45/557220045.db2.gz	ABNDBUVGPMZHCQ-UXBLZVDNSA-N	-1	0	402.188	2.269	50	0		HEAARM
O=C([O-])COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1	ZINC000001205694	557240660	/nfs/dbraw/zinc/24/06/60/557240660.db2.gz	LAQGYZIHXZTCAN-MRXNPFEDSA-N	-1	0	424.409	2.177	50	0		HEAARM
O=C([O-])[C@H](CCCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	ZINC000002045130	557300016	/nfs/dbraw/zinc/30/00/16/557300016.db2.gz	PLZBWTXYTSGCKV-KRWDZBQOSA-N	-1	0	406.394	2.202	50	0		HEAARM
O=C([O-])CN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2(Br)c2ccccc21	ZINC000002068307	557306349	/nfs/dbraw/zinc/30/63/49/557306349.db2.gz	KYRBALUEXUYLGH-ZEVUXNIQSA-N	-1	0	412.239	2.470	50	0		HEAARM
O=C([O-])c1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1	ZINC000002650299	557361067	/nfs/dbraw/zinc/36/10/67/557361067.db2.gz	LIYFWCVWQUKOOG-UHFFFAOYSA-N	-1	0	408.863	2.185	50	0		HEAARM
COc1cccc(-c2nnc(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)[n-]2)c1	ZINC000034764604	557461640	/nfs/dbraw/zinc/46/16/40/557461640.db2.gz	FFQJVASWGCZYNO-UHFFFAOYSA-N	-1	0	408.414	2.231	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(C)c4C)c=3c2=O)cc1	ZINC000004483314	557558847	/nfs/dbraw/zinc/55/88/47/557558847.db2.gz	IYUFIHGJRTZFMW-MOPGFXCFSA-N	-1	0	407.430	2.244	50	0		HEAARM
CC(C)[C@H](NC(=O)c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1)C(=O)[O-]	ZINC000013577200	558543864	/nfs/dbraw/zinc/54/38/64/558543864.db2.gz	AXEZTZMTWOIEKS-OALUTQOASA-N	-1	0	421.453	2.419	50	0		HEAARM
CC(C)[C@H](CO)NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1	ZINC000013723172	558583116	/nfs/dbraw/zinc/58/31/16/558583116.db2.gz	BLOHUQJZLKROLA-AWEZNQCLSA-N	-1	0	417.940	2.273	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1	ZINC000004483253	558602947	/nfs/dbraw/zinc/60/29/47/558602947.db2.gz	PBRPZRCEQYDGFR-IAGOWNOFSA-N	-1	0	413.821	2.281	50	0		HEAARM
CC(C)n1c2nnc(-c3ccc(Br)cc3)n2c2c1c(=O)nc([O-])n2C	ZINC000010963645	558619914	/nfs/dbraw/zinc/61/99/14/558619914.db2.gz	LFHBZZQUBYKASQ-UHFFFAOYSA-N	-1	0	403.240	2.494	50	0		HEAARM
COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc2c(c1)OCO2	ZINC000004554642	558722674	/nfs/dbraw/zinc/72/26/74/558722674.db2.gz	GMVHVIPCXLCLQP-PXAZEXFGSA-N	-1	0	403.412	2.431	50	0		HEAARM
O=C([O-])CSCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1	ZINC000017092261	558820651	/nfs/dbraw/zinc/82/06/51/558820651.db2.gz	YZUOPJSHSUNUQO-UHFFFAOYSA-N	-1	0	420.512	2.190	50	0		HEAARM
CC1=C(C)C[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H](C(=O)[O-])C1	ZINC000000915942	558835945	/nfs/dbraw/zinc/83/59/45/558835945.db2.gz	KIANNQQHPVDFSC-ZWKOTPCHSA-N	-1	0	422.503	2.093	50	0		HEAARM
O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1	ZINC000058174231	558909008	/nfs/dbraw/zinc/90/90/08/558909008.db2.gz	IZGBBYKTQSHYDG-ZDUSSCGKSA-N	-1	0	422.397	2.205	50	0		HEAARM
CS(=O)(=O)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)c(C(=O)[O-])c1	ZINC000033253235	558921188	/nfs/dbraw/zinc/92/11/88/558921188.db2.gz	BIFASGKZRJPXOE-UHFFFAOYSA-N	-1	0	407.467	2.218	50	0		HEAARM
Cc1nn(-c2ccc3nnc(C)n3n2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2	ZINC000033271423	559032953	/nfs/dbraw/zinc/03/29/53/559032953.db2.gz	RCNDNBOGWHXPIT-CQSZACIVSA-N	-1	0	403.402	2.099	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1	ZINC000100033081	559128862	/nfs/dbraw/zinc/12/88/62/559128862.db2.gz	BNZBTXCECMTAIU-ZWKOTPCHSA-N	-1	0	411.393	2.156	50	0		HEAARM
O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4Cl)CC3)C2=O)cc1	ZINC000100483100	559135609	/nfs/dbraw/zinc/13/56/09/559135609.db2.gz	AWSURFCIBMCVSH-GOSISDBHSA-N	-1	0	413.861	2.492	50	0		HEAARM
COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c(=O)nc2ccc(Cl)cn2c1[O-]	ZINC000205951046	559186815	/nfs/dbraw/zinc/18/68/15/559186815.db2.gz	XECNHGKDQPBRNJ-LBPRGKRZSA-N	-1	0	404.806	2.463	50	0		HEAARM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000004876263	559195336	/nfs/dbraw/zinc/19/53/36/559195336.db2.gz	XXXQTHHOOXKTGE-UHFFFAOYSA-N	-1	0	421.453	2.482	50	0		HEAARM
CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3ccccc3F)c(C(N)=O)n2)c1[O-]	ZINC000005143448	559251607	/nfs/dbraw/zinc/25/16/07/559251607.db2.gz	YGLBQGFVAINSTP-UHFFFAOYSA-N	-1	0	409.377	2.118	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100942586	560763539	/nfs/dbraw/zinc/76/35/39/560763539.db2.gz	KVTHYQGSNCKZAW-PKOBYXMFSA-N	-1	0	407.426	2.301	50	0		HEAARM
Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(F)cc4)c=3c2=O)c1	ZINC000101083578	560773184	/nfs/dbraw/zinc/77/31/84/560773184.db2.gz	CTTYRJMWZSMJCA-RBUKOAKNSA-N	-1	0	409.421	2.052	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1ccc(F)cc1	ZINC000101165622	560787309	/nfs/dbraw/zinc/78/73/09/560787309.db2.gz	ZDQTVERLMUXYAC-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1	ZINC000101277513	560790291	/nfs/dbraw/zinc/79/02/91/560790291.db2.gz	KNFLEZATTADFON-SJORKVTESA-N	-1	0	404.386	2.239	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)c(C)c4)c=3c2=O)cc1	ZINC000101416500	560794581	/nfs/dbraw/zinc/79/45/81/560794581.db2.gz	UXFKMSQYXUGKLD-OALUTQOASA-N	-1	0	407.430	2.244	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4OC)c=3c2=O)cc1	ZINC000101416641	560794695	/nfs/dbraw/zinc/79/46/95/560794695.db2.gz	KMMJPLMKHQTANL-MOPGFXCFSA-N	-1	0	407.430	2.190	50	0		HEAARM
CCOc1ccccc1[C@@H]1CC(c2c([O-])n(C)c(=S)n(C)c2=O)=NN1C(C)=O	ZINC000101456843	560795655	/nfs/dbraw/zinc/79/56/55/560795655.db2.gz	HJIIHGUSFIRECY-AWEZNQCLSA-N	-1	0	402.476	2.255	50	0		HEAARM
CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1cc(OC)ccc1OC	ZINC000101765763	560799597	/nfs/dbraw/zinc/79/95/97/560799597.db2.gz	YUIUGEKRKCXISY-ZDUSSCGKSA-N	-1	0	418.475	2.253	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1	ZINC000101892746	560804470	/nfs/dbraw/zinc/80/44/70/560804470.db2.gz	PDKYRYAOWUVWKU-DLBZAZTESA-N	-1	0	404.386	2.239	50	0		HEAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NC45CC6CC(CC(C6)C4)C5)c=3c2=O)cc1	ZINC000102571918	560816728	/nfs/dbraw/zinc/81/67/28/560816728.db2.gz	SQICYISCEOMYRG-AESUNOQTSA-N	-1	0	421.501	2.373	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1	ZINC000101165922	560851114	/nfs/dbraw/zinc/85/11/14/560851114.db2.gz	PBRPZRCEQYDGFR-SJORKVTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1	ZINC000012201314	560891688	/nfs/dbraw/zinc/89/16/88/560891688.db2.gz	HVDBBQMBEKWCSI-UHFFFAOYSA-N	-1	0	417.443	2.108	50	0		HEAARM
Cc1noc(C)c1S(=O)(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1	ZINC000390831071	568592277	/nfs/dbraw/zinc/59/22/77/568592277.db2.gz	PLHJHTDLPQFOFA-UHFFFAOYSA-N	-1	0	405.402	2.048	50	0		HEAARM
O=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)cc1O	ZINC000020272672	568596368	/nfs/dbraw/zinc/59/63/68/568596368.db2.gz	QUCUMRORVHSWSF-UHFFFAOYSA-N	-1	0	424.818	2.063	50	0		HEAARM
CS(=O)(=O)Nc1cc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1F	ZINC000095424599	568607791	/nfs/dbraw/zinc/60/77/91/568607791.db2.gz	MUZAWMQQKIQGMU-QGZVFWFLSA-N	-1	0	419.434	2.104	50	0		HEAARM
CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O	ZINC000095951130	568667400	/nfs/dbraw/zinc/66/74/00/568667400.db2.gz	HIIFVUBLIVYCMP-UHFFFAOYSA-N	-1	0	412.471	2.100	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C[S@](C)=O)c1	ZINC000096012193	568684455	/nfs/dbraw/zinc/68/44/55/568684455.db2.gz	YAALHNAHCFSVLY-LOKFHWFJSA-N	-1	0	424.544	2.335	50	0		HEAARM
COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000096115316	568694842	/nfs/dbraw/zinc/69/48/42/568694842.db2.gz	HWPAZKDRDPFDQE-LBPRGKRZSA-N	-1	0	404.806	2.463	50	0	biogenic	HEAARM
COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(F)cc2F)cc1	ZINC000096361268	568739284	/nfs/dbraw/zinc/73/92/84/568739284.db2.gz	ZVDNXTVSVXKONM-UHFFFAOYSA-N	-1	0	422.413	2.427	50	0		HEAARM
COc1ccc(C(=O)OCC(=O)NC2CC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000003465617	568907287	/nfs/dbraw/zinc/90/72/87/568907287.db2.gz	PFUWXIONWWGZMQ-UHFFFAOYSA-N	-1	0	418.471	2.240	50	0		HEAARM
Cc1cc(C)nc(N=C2NC(=O)C[C@@H](C(=O)[O-])N2CCc2c[nH]c3ccccc23)n1	ZINC000001311570	568913906	/nfs/dbraw/zinc/91/39/06/568913906.db2.gz	HETGDFGOWMPMCK-KRWDZBQOSA-N	-1	0	406.446	2.271	50	0	biogenic	HEAARM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(Sc2nccn2C)cc1	ZINC000012740303	568928652	/nfs/dbraw/zinc/92/86/52/568928652.db2.gz	NVTCSJCUHGIBNK-UHFFFAOYSA-N	-1	0	407.477	2.272	50	0		HEAARM
CSCC[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000004000374	568932227	/nfs/dbraw/zinc/93/22/27/568932227.db2.gz	GABIUDILLFTHQC-GWCFXTLKSA-N	-1	0	411.911	2.273	50	0	biogenic	HEAARM
C[C@@H](SCc1ccc(C(=O)[O-])cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000012779027	568956333	/nfs/dbraw/zinc/95/63/33/568956333.db2.gz	NFUIDZMUYLHLBI-CYBMUJFWSA-N	-1	0	422.528	2.013	50	0		HEAARM
O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)S(=O)(=O)[N-]C=N2	ZINC000015682366	568968640	/nfs/dbraw/zinc/96/86/40/568968640.db2.gz	UNCQPAVNTWRAQI-UHFFFAOYSA-N	-1	0	416.278	2.202	50	0		HEAARM
CSCC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)C(=O)[O-]	ZINC000008191174	568981221	/nfs/dbraw/zinc/98/12/21/568981221.db2.gz	HZNUAEWXEBVGGR-ZDUSSCGKSA-N	-1	0	420.940	2.061	50	0		HEAARM
CCCCNC(=O)CN1CCN(c2ccc(NC(=O)CCC)c(C(=O)[O-])c2)CC1	ZINC000064589365	569068993	/nfs/dbraw/zinc/06/89/93/569068993.db2.gz	UGQDSRUXVDTUTJ-UHFFFAOYSA-N	-1	0	404.511	2.162	50	0		HEAARM
CC(C)NC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1	ZINC000064590073	569069092	/nfs/dbraw/zinc/06/90/92/569069092.db2.gz	ORCXUGKOCFAELK-UHFFFAOYSA-N	-1	0	424.501	2.284	50	0		HEAARM
COc1ccc(CCNC(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1OC	ZINC000006754618	569111030	/nfs/dbraw/zinc/11/10/30/569111030.db2.gz	RAQYNXBWQMHGLW-UHFFFAOYSA-N	-1	0	418.471	2.250	50	0		HEAARM
COc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)cc(OC)c1	ZINC000064976657	569139772	/nfs/dbraw/zinc/13/97/72/569139772.db2.gz	KEVNMWLFOKTTSO-UHFFFAOYSA-N	-1	0	411.867	2.348	50	0		HEAARM
Cc1cn(C)c(CC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c1C(=O)[O-]	ZINC000064980570	569140912	/nfs/dbraw/zinc/14/09/12/569140912.db2.gz	DHEAVPIZIWKQGH-UHFFFAOYSA-N	-1	0	418.925	2.166	50	0		HEAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CCc3ccncc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036360399	569151518	/nfs/dbraw/zinc/15/15/18/569151518.db2.gz	SIRKLDMZCVAPDS-OAQYLSRUSA-N	-1	0	422.485	2.258	50	0		HEAARM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(CCc3ccccn3)CC2)c1C(=O)[O-]	ZINC000036359688	569151661	/nfs/dbraw/zinc/15/16/61/569151661.db2.gz	VMBOGOSWPKRASZ-OAQYLSRUSA-N	-1	0	422.485	2.258	50	0		HEAARM
O=C(NCc1ccc2c(c1)OCO2)c1c(=O)[nH]c2c(cnn2-c2ccc(F)cc2)c1[O-]	ZINC000065249895	569205911	/nfs/dbraw/zinc/20/59/11/569205911.db2.gz	XQLYNMLGTCTNFW-UHFFFAOYSA-N	-1	0	422.372	2.217	50	0		HEAARM
NS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2F)cc2c1CCC2	ZINC000170592101	569240943	/nfs/dbraw/zinc/24/09/43/569240943.db2.gz	SJBOKOQOCHRIGR-INIZCTEOSA-N	-1	0	424.425	2.047	50	0		HEAARM
CN1CCCc2ccc(S(=O)(=O)[N-]c3cc(Cl)ccc3S(N)(=O)=O)cc21	ZINC000170609195	569244927	/nfs/dbraw/zinc/24/49/27/569244927.db2.gz	IQYZOVRMAXLCCH-UHFFFAOYSA-N	-1	0	415.924	2.171	50	0		HEAARM
O=c1[nH]c(=O)n(CCc2ccc(F)cc2)c([O-])c1[C@@H]1[NH2+]CCc2c3ccccc3[nH]c21	ZINC000002130077	569286451	/nfs/dbraw/zinc/28/64/51/569286451.db2.gz	SQJFGFRYTXTCLK-FQEVSTJZSA-N	-1	0	420.444	2.340	50	0	biogenic	HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)NC1CCCCCC1	ZINC000013236072	569410306	/nfs/dbraw/zinc/41/03/06/569410306.db2.gz	BPXMPFOKXOSKRA-SFHVURJKSA-N	-1	0	400.479	2.302	50	0		HEAARM
Nc1nc(SCC(=O)Nc2ccccc2)[n-]c(=O)c1NC(=O)c1cccs1	ZINC000008683769	571101303	/nfs/dbraw/zinc/10/13/03/571101303.db2.gz	JRCHJRMUCCJSOY-UHFFFAOYSA-N	-1	0	401.473	2.397	50	0		HEAARM
COc1cc2c(c3oc(=O)c(CC(=O)N[C@@H](C)C(=O)[O-])c(C)c13)CCC(C)(C)O2	ZINC000008765191	571115423	/nfs/dbraw/zinc/11/54/23/571115423.db2.gz	MWLZBPRTRQGZCY-NSHDSACASA-N	-1	0	403.431	2.345	50	0	biogenic	HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)c1	ZINC000040019973	571139394	/nfs/dbraw/zinc/13/93/94/571139394.db2.gz	QIDOFBFFJMMDFZ-CYBMUJFWSA-N	-1	0	406.460	2.439	50	0		HEAARM
CC(=O)N1CCc2ccccc2[C@H]1c1c([O-])[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O	ZINC000008914186	571150310	/nfs/dbraw/zinc/15/03/10/571150310.db2.gz	NDFYIIARXUWNHJ-FQEVSTJZSA-N	-1	0	405.454	2.342	50	0		HEAARM
O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cn(-c2ccccc2C(F)(F)F)nn1	ZINC000040072509	571153010	/nfs/dbraw/zinc/15/30/10/571153010.db2.gz	MFIYRQIOPMISAR-UHFFFAOYSA-N	-1	0	422.367	2.186	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)C(=O)OC	ZINC000009187818	571235453	/nfs/dbraw/zinc/23/54/53/571235453.db2.gz	FDOXCNUMFNGWLF-BZNIZROVSA-N	-1	0	424.479	2.493	50	0		HEAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1	ZINC000009356443	571251241	/nfs/dbraw/zinc/25/12/41/571251241.db2.gz	JLHIDGIRIMVDRP-CQSZACIVSA-N	-1	0	417.487	2.219	50	0		HEAARM
O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccc2c(c1)OCCO2	ZINC000009761993	571284656	/nfs/dbraw/zinc/28/46/56/571284656.db2.gz	WVLKACSTWLBCKC-UHFFFAOYSA-N	-1	0	423.447	2.439	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1	ZINC000009835957	571287851	/nfs/dbraw/zinc/28/78/51/571287851.db2.gz	IWGMNONXXUIIGH-RTBURBONSA-N	-1	0	423.429	2.026	50	0		HEAARM
O=S(=O)([N-]c1cnc(N2CCN(c3ccccn3)CC2)nc1)c1cccs1	ZINC000077196722	571312376	/nfs/dbraw/zinc/31/23/76/571312376.db2.gz	VIZNDJZVBRBKMS-UHFFFAOYSA-N	-1	0	402.505	2.061	50	0		HEAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4ccccn4)CC3)cc21	ZINC000000794061	132232606	/nfs/dbraw/zinc/23/26/06/132232606.db2.gz	YNIVKDGQDPNOFR-UHFFFAOYSA-N	-1	0	424.432	2.216	50	0		HEAARM
O=C([O-])c1sccc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1	ZINC000006156818	132309395	/nfs/dbraw/zinc/30/93/95/132309395.db2.gz	RYEFTJREGJIOBT-UHFFFAOYSA-N	-1	0	421.422	2.371	50	0		HEAARM
COc1cc([C@H]2CC(=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)NN2)ccc1O	ZINC000008970800	132334346	/nfs/dbraw/zinc/33/43/46/132334346.db2.gz	KXFKIJSIRUXZQU-CLBVAXQTSA-N	-1	0	412.377	2.456	50	0		HEAARM
CC1(C)CS(=O)(=O)N(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)cc2)C1=O	ZINC000041182045	520512216	/nfs/dbraw/zinc/51/22/16/520512216.db2.gz	GXQUITIHOLIMOZ-UHFFFAOYSA-N	-1	0	418.427	2.045	50	0		HEAARM
C[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(F)ccc2F)CC1	ZINC000032961737	523923551	/nfs/dbraw/zinc/92/35/51/523923551.db2.gz	NFHCSLCCOIKUTI-UHFFFAOYSA-N	-1	0	411.430	2.216	50	0		HEAARM
CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2cccc(F)c2)CC1	ZINC000032961996	525214300	/nfs/dbraw/zinc/21/43/00/525214300.db2.gz	OIHLIRADCUKMKS-UHFFFAOYSA-N	-1	0	407.467	2.218	50	0		HEAARM
NC(=O)c1c(SCC(=O)Nc2cccnc2Cl)sc2c1[nH]c(=O)cc2[O-]	ZINC000044900901	527020688	/nfs/dbraw/zinc/02/06/88/527020688.db2.gz	CTEBKXLUOABCJT-UHFFFAOYSA-N	-1	0	410.864	2.173	50	0		HEAARM
O=C([O-])[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N3CCCc4cccc(F)c43)cc2)C1	ZINC000032084816	527657812	/nfs/dbraw/zinc/65/78/12/527657812.db2.gz	UQVZJOOMEKKDHD-CQSZACIVSA-N	-1	0	418.446	2.405	50	0		HEAARM
Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCC(C(N)=O)CC3)c([O-])n2n1	ZINC000022627571	557113531	/nfs/dbraw/zinc/11/35/31/557113531.db2.gz	DGZMPXFHTWWINY-AWEZNQCLSA-N	-1	0	407.446	2.370	50	0		HEAARM
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000000917273	557117963	/nfs/dbraw/zinc/11/79/63/557117963.db2.gz	TYHXOVYFQAXETR-UHFFFAOYSA-N	-1	0	404.473	2.387	50	0		HEAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1	ZINC000001122906	557192848	/nfs/dbraw/zinc/19/28/48/557192848.db2.gz	ARVOJTVOBGYGNM-UHFFFAOYSA-N	-1	0	411.892	2.292	50	0		HEAARM
O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1	ZINC000001177736	557228700	/nfs/dbraw/zinc/22/87/00/557228700.db2.gz	SNJVTYHHUSBQSH-MRXNPFEDSA-N	-1	0	408.410	2.090	50	0		HEAARM
O=C([O-])CN1C(=O)[C@H]2[C@H](C1=O)C1(Br)c3ccccc3C2c2ccccc21	ZINC000002068306	557306465	/nfs/dbraw/zinc/30/64/65/557306465.db2.gz	KYRBALUEXUYLGH-MUZJZNNISA-N	-1	0	412.239	2.470	50	0		HEAARM
CCOCCOc1cccc(-c2nnc(CCC(=O)N3CCSCC3)c(=O)[n-]2)c1	ZINC000034764911	557461736	/nfs/dbraw/zinc/46/17/36/557461736.db2.gz	NQGIEOHNNSFQRG-UHFFFAOYSA-N	-1	0	418.519	2.168	50	0		HEAARM
O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000003445668	557486817	/nfs/dbraw/zinc/48/68/17/557486817.db2.gz	VSZVTXAZZQHOPY-UHFFFAOYSA-N	-1	0	403.456	2.265	50	0		HEAARM
Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CC1)NC(=O)CO2	ZINC000006659088	557712324	/nfs/dbraw/zinc/71/23/24/557712324.db2.gz	LTGFHCMUKBGNPE-UHFFFAOYSA-N	-1	0	401.444	2.019	50	0		HEAARM
CS(=O)(=O)Nc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccco2)C1	ZINC000009060558	557821173	/nfs/dbraw/zinc/82/11/73/557821173.db2.gz	PIHLUDXCLREFLL-OAHLLOKOSA-N	-1	0	405.432	2.194	50	0		HEAARM
COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)C=CC(=O)[O-])C2=O)cc1	ZINC000019720981	558259279	/nfs/dbraw/zinc/25/92/79/558259279.db2.gz	LTKZBUONMLKFLN-TZZQJPOUSA-N	-1	0	422.437	2.039	50	0		HEAARM
CC(C)c1ccc(-c2nc(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])cs2)cc1	ZINC000020760756	558411227	/nfs/dbraw/zinc/41/12/27/558411227.db2.gz	SISZTTCTWSIEMI-MRXNPFEDSA-N	-1	0	418.519	2.494	50	0	biogenic	HEAARM
Cc1ccc(CNC(=O)CNC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1	ZINC000013235214	558527708	/nfs/dbraw/zinc/52/77/08/558527708.db2.gz	BRLADWRKEFROCA-IBGZPJMESA-N	-1	0	408.458	2.088	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1C1CCCC1	ZINC000013406829	558531637	/nfs/dbraw/zinc/53/16/37/558531637.db2.gz	PIMDCYWTOVJMAH-INIZCTEOSA-N	-1	0	414.491	2.174	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)Nc1ccccc1	ZINC000004484127	558603371	/nfs/dbraw/zinc/60/33/71/558603371.db2.gz	BYKVUQXTJNWEML-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
Cc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2N(C)C)s1	ZINC000024975132	558623636	/nfs/dbraw/zinc/62/36/36/558623636.db2.gz	SCKGSMQUGVMHRU-UHFFFAOYSA-N	-1	0	403.551	2.174	50	0		HEAARM
O=C([O-])c1ccc(-n2nnnc2SCC(=O)Nc2cc(Cl)ccc2O)cc1	ZINC000015869158	558759967	/nfs/dbraw/zinc/75/99/67/558759967.db2.gz	RTHSXCXBNQMFOM-UHFFFAOYSA-N	-1	0	405.823	2.450	50	0		HEAARM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1[C@@H]2CCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000038342089	558811276	/nfs/dbraw/zinc/81/12/76/558811276.db2.gz	HDACQVRGBOVJII-JUSBFGHESA-N	-1	0	416.518	2.383	50	0		HEAARM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1C	ZINC000017088023	558816830	/nfs/dbraw/zinc/81/68/30/558816830.db2.gz	ZXOLSDPSZQHVMR-QZTJIDSGSA-N	-1	0	408.520	2.027	50	0		HEAARM
COC(=O)c1ccccc1NC(=O)C[C@]1(C(=O)[O-])CC(c2ccc(OC)cc2)=NO1	ZINC000072326191	558862823	/nfs/dbraw/zinc/86/28/23/558862823.db2.gz	JEWWKSRPHQUVBH-NRFANRHFSA-N	-1	0	412.398	2.458	50	0	biogenic	HEAARM
O=C([O-])c1c2c(sc1S(=O)(=O)[N-]c1ccc(-n3ccnc3)cc1)C[NH2+]CC2	ZINC000067834043	558993495	/nfs/dbraw/zinc/99/34/95/558993495.db2.gz	PSWWTNDXUJSODG-UHFFFAOYSA-N	-1	0	404.473	2.079	50	0		HEAARM
O=C(c1n[nH]c2c1CCCC2)N1CCc2nc3cc(-c4ccccc4)[n-]n3c(=O)c2C1	ZINC000097111196	558995249	/nfs/dbraw/zinc/99/52/49/558995249.db2.gz	MGEXWMQZOIWTHO-UHFFFAOYSA-N	-1	0	414.469	2.490	50	0		HEAARM
CCOC(=O)c1[n-]n(-c2ccccc2C)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100932725	559141979	/nfs/dbraw/zinc/14/19/79/559141979.db2.gz	OUDGQSGPULAIOQ-IEBWSBKVSA-N	-1	0	407.426	2.301	50	0		HEAARM
COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100117708	559155708	/nfs/dbraw/zinc/15/57/08/559155708.db2.gz	DSGRLFQRBDLZQS-WBVHZDCISA-N	-1	0	413.817	2.256	50	0		HEAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C)cc1C	ZINC000011858326	559263156	/nfs/dbraw/zinc/26/31/56/559263156.db2.gz	SUACTVYWMOLWNM-UHFFFAOYSA-N	-1	0	424.500	2.179	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c([O-])[nH]c(=O)n(-c2ccccc2C)c1=O	ZINC000100792124	559267269	/nfs/dbraw/zinc/26/72/69/559267269.db2.gz	NOCKKTWDROTOSL-JKSUJKDBSA-N	-1	0	410.382	2.123	50	0	biogenic	HEAARM
CCOC(=O)c1[n-]n(-c2ccc(OC)cc2)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100935204	560763336	/nfs/dbraw/zinc/76/33/36/560763336.db2.gz	GTCNFIYRHSJUQB-PKOBYXMFSA-N	-1	0	423.425	2.001	50	0		HEAARM
CCc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2	ZINC000101169082	560787673	/nfs/dbraw/zinc/78/76/73/560787673.db2.gz	MRFKEYXVYQGCCO-ZWKOTPCHSA-N	-1	0	413.384	2.459	50	0		HEAARM
COc1ccc(OC)c([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)c1	ZINC000101762083	560800384	/nfs/dbraw/zinc/80/03/84/560800384.db2.gz	OGJIHIPHVIHYEA-HNNXBMFYSA-N	-1	0	414.462	2.203	50	0		HEAARM
CCOc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(CCc3ccccc3)c2=O)=NN1	ZINC000101762564	560800610	/nfs/dbraw/zinc/80/06/10/560800610.db2.gz	KMPKXCMUEPSWAX-KRWDZBQOSA-N	-1	0	420.469	2.322	50	0		HEAARM
COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)cc1	ZINC000101763076	560800885	/nfs/dbraw/zinc/80/08/85/560800885.db2.gz	CMRXBLJGZMBCIN-HNNXBMFYSA-N	-1	0	412.833	2.332	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(F)ccc4F)c=3c2=O)cc1	ZINC000102906790	560835082	/nfs/dbraw/zinc/83/50/82/560835082.db2.gz	ZAGFGZFJBZAPOY-ROUUACIJSA-N	-1	0	413.384	2.459	50	0		HEAARM
CCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3OC)cc2oc1=O	ZINC000020287058	568597033	/nfs/dbraw/zinc/59/70/33/568597033.db2.gz	XKDYMTBRSZGABT-UHFFFAOYSA-N	-1	0	420.443	2.275	50	0		HEAARM
CCS(=O)(=O)NCc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(C)cc2)cc1	ZINC000095424503	568607772	/nfs/dbraw/zinc/60/77/72/568607772.db2.gz	PWEMNCYSAXSVOW-UHFFFAOYSA-N	-1	0	404.488	2.161	50	0		HEAARM
CCOc1ccc(C[C@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C(=O)[O-])cc1	ZINC000095425275	568607950	/nfs/dbraw/zinc/60/79/50/568607950.db2.gz	LREKEHWSEAQCFI-GOSISDBHSA-N	-1	0	419.499	2.303	50	0		HEAARM
Cc1ccc(C[C@H](CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)C(=O)[O-])cc1	ZINC000095425422	568607954	/nfs/dbraw/zinc/60/79/54/568607954.db2.gz	LMCIMTZZJGZVLN-LJQANCHMSA-N	-1	0	405.454	2.278	50	0		HEAARM
COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c([O-])nc2ccccn2c1=O	ZINC000096113861	568693342	/nfs/dbraw/zinc/69/33/42/568693342.db2.gz	RKOXKXWZKXKORZ-ZDUSSCGKSA-N	-1	0	422.393	2.210	50	0	biogenic	HEAARM
O=S(=O)(Nc1ccccc1Br)c1ccc2c(c1)S(=O)(=O)[N-]C=N2	ZINC000012414931	568717583	/nfs/dbraw/zinc/71/75/83/568717583.db2.gz	LUSMYOYAVPXVEQ-UHFFFAOYSA-N	-1	0	416.278	2.202	50	0		HEAARM
C[C@@H]1CN(C(=S)S[C@@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)C[C@@H](C)O1	ZINC000215689465	568790459	/nfs/dbraw/zinc/79/04/59/568790459.db2.gz	ULDGZRYIPQYXLY-JTNHKYCSSA-N	-1	0	408.501	2.144	50	0		HEAARM
O=C(CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S)N1CCOCC1	ZINC000002973730	568832137	/nfs/dbraw/zinc/83/21/37/568832137.db2.gz	PLSFXLNEQDBPAM-UHFFFAOYSA-N	-1	0	412.309	2.087	50	0		HEAARM
COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)c1	ZINC000012521404	568841866	/nfs/dbraw/zinc/84/18/66/568841866.db2.gz	AVLXHWZXVOEVKJ-UHFFFAOYSA-N	-1	0	407.400	2.052	50	0		HEAARM
CCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3	ZINC000001260355	568909193	/nfs/dbraw/zinc/90/91/93/568909193.db2.gz	RZWOJTIBIDHOJE-UHFFFAOYSA-N	-1	0	416.437	2.310	50	0		HEAARM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@@H]1CCCN(Cc2cccs2)C1	ZINC000670456242	568936421	/nfs/dbraw/zinc/93/64/21/568936421.db2.gz	ZUGLNBQAVODAGP-CQSZACIVSA-N	-1	0	410.517	2.398	50	0		HEAARM
COc1ccc(C(=O)OCC(=O)N(C)C)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000007976835	568963104	/nfs/dbraw/zinc/96/31/04/568963104.db2.gz	DBSIRURUECOAGT-UHFFFAOYSA-N	-1	0	406.460	2.049	50	0		HEAARM
CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cn1nc(C)c2ccccc2c1=O	ZINC000013010067	569049948	/nfs/dbraw/zinc/04/99/48/569049948.db2.gz	NVSXUJRBCNTLFT-UHFFFAOYSA-N	-1	0	423.498	2.442	50	0		HEAARM
CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000001926297	569059727	/nfs/dbraw/zinc/05/97/27/569059727.db2.gz	FHSLRMZIRHRDLV-UHFFFAOYSA-N	-1	0	403.460	2.181	50	0		HEAARM
CC(=O)Nc1ccc(N2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1C(=O)[O-]	ZINC000064590024	569069152	/nfs/dbraw/zinc/06/91/52/569069152.db2.gz	RMTGKBAEJBTLFN-UHFFFAOYSA-N	-1	0	410.474	2.412	50	0		HEAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2OC)c1	ZINC000064837090	569105047	/nfs/dbraw/zinc/10/50/47/569105047.db2.gz	KASJDXDPUFNQEX-UHFFFAOYSA-N	-1	0	417.443	2.264	50	0		HEAARM
CCN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036366460	569152737	/nfs/dbraw/zinc/15/27/37/569152737.db2.gz	FAHVMVNDKDNCLQ-QGZVFWFLSA-N	-1	0	424.295	2.252	50	0		HEAARM
O=C(Nc1ccc2c(c1)OCO2)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-]	ZINC000065249857	569205923	/nfs/dbraw/zinc/20/59/23/569205923.db2.gz	OBDNMTCIRRKMCU-UHFFFAOYSA-N	-1	0	404.382	2.460	50	0		HEAARM
COCCN1CCn2cc(S(=O)(=O)[N-]c3ccc(OC)c(Cl)c3)cc2C1=O	ZINC000065254838	569207456	/nfs/dbraw/zinc/20/74/56/569207456.db2.gz	KWHFFDYYMZTZQP-UHFFFAOYSA-N	-1	0	413.883	2.053	50	0		HEAARM
CC(C)[C@@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccco1)C(=O)[O-]	ZINC000002950003	569322579	/nfs/dbraw/zinc/32/25/79/569322579.db2.gz	YEARSOVZWZNBTD-KMGMULKOSA-N	-1	0	400.387	2.005	50	0		HEAARM
O=C([O-])C1CCC(CNC(=O)CCCCCn2c(=O)[nH]c3ccccc3c2=O)CC1	ZINC000002433397	569399259	/nfs/dbraw/zinc/39/92/59/569399259.db2.gz	BKXCHBOCNVIEOU-UHFFFAOYSA-N	-1	0	415.490	2.257	50	0		HEAARM
O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)c2ccncc2[O-])C1	ZINC000079054636	569425815	/nfs/dbraw/zinc/42/58/15/569425815.db2.gz	VGYUSPOLLCXJHO-LLVKDONJSA-N	-1	0	405.252	2.436	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(F)ccc4F)c=3c2=O)cc1	ZINC000067240419	571052116	/nfs/dbraw/zinc/05/21/16/571052116.db2.gz	ZAGFGZFJBZAPOY-ZWKOTPCHSA-N	-1	0	413.384	2.459	50	0		HEAARM
CCCCOc1ccc(C(=O)Nc2nnc(SCC(=O)NCC(=O)[O-])s2)cc1	ZINC000008768996	571116314	/nfs/dbraw/zinc/11/63/14/571116314.db2.gz	XSKWPAHYZAPGBN-UHFFFAOYSA-N	-1	0	424.504	2.262	50	0		HEAARM
CCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000040058717	571146299	/nfs/dbraw/zinc/14/62/99/571146299.db2.gz	IDEULOZVBCLUMF-UHFFFAOYSA-N	-1	0	416.452	2.013	50	0		HEAARM
C[C@@H](OC(=O)Cn1[nH]c(=O)c2ccccc2c1=O)C(=O)Nc1ccc(F)cc1Cl	ZINC000009032551	571212731	/nfs/dbraw/zinc/21/27/31/571212731.db2.gz	NHPFHLKFLAXLFV-SNVBAGLBSA-N	-1	0	419.796	2.465	50	0		HEAARM
Cc1ccc([N-]S(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)nc1	ZINC000009153144	571231406	/nfs/dbraw/zinc/23/14/06/571231406.db2.gz	LAQDJRQZXZXMNE-UHFFFAOYSA-N	-1	0	422.466	2.425	50	0		HEAARM
COc1ccc(C2=NN(C(=O)/C=C/C(=O)[O-])[C@@]3(C2)C(=O)Nc2ccccc23)cc1OC	ZINC000009183975	571234523	/nfs/dbraw/zinc/23/45/23/571234523.db2.gz	ZDXMWDWQHWRABJ-DGSRBQDKSA-N	-1	0	421.409	2.129	50	0		HEAARM
CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])[nH]c(=O)n(-c2ccc(F)cc2)c1=O	ZINC000009358978	571251463	/nfs/dbraw/zinc/25/14/63/571251463.db2.gz	RJEFVMYEMLRILS-IBGZPJMESA-N	-1	0	406.417	2.429	50	0	biogenic	HEAARM
CCOc1ccc(C[N-]S(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1OC	ZINC000009606099	571273150	/nfs/dbraw/zinc/27/31/50/571273150.db2.gz	CIVYFGPTXZJWQC-UHFFFAOYSA-N	-1	0	423.516	2.259	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(OC)c4)c=3c2=O)cc1	ZINC000009835956	571287887	/nfs/dbraw/zinc/28/78/87/571287887.db2.gz	IWGMNONXXUIIGH-MOPGFXCFSA-N	-1	0	423.429	2.026	50	0		HEAARM
CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-]	ZINC000071328784	571292592	/nfs/dbraw/zinc/29/25/92/571292592.db2.gz	VBUROAZMUCPPDO-PIGZYNQJSA-N	-1	0	422.279	2.288	50	0		HEAARM
CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)c2)C1=O	ZINC000041182009	520514891	/nfs/dbraw/zinc/51/48/91/520514891.db2.gz	DBDQPNYKKKDEPH-UHFFFAOYSA-N	-1	0	418.427	2.045	50	0		HEAARM
COc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)cc(OC)c1OC	ZINC000020574726	522752987	/nfs/dbraw/zinc/75/29/87/522752987.db2.gz	GLPPLPQGZDABGC-UHFFFAOYSA-N	-1	0	423.472	2.325	50	0		HEAARM
NC(=O)c1c(SCC(=O)Nc2ccc(F)c(F)c2)sc2c1[nH]c(=O)cc2[O-]	ZINC000040268285	527019893	/nfs/dbraw/zinc/01/98/93/527019893.db2.gz	KAKTTWBREPXWKE-UHFFFAOYSA-N	-1	0	411.411	2.403	50	0		HEAARM
CC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(F)c(F)c2)CC1	ZINC000022627498	557113541	/nfs/dbraw/zinc/11/35/41/557113541.db2.gz	HWEJDWFUSUXSCC-OAHLLOKOSA-N	-1	0	407.446	2.337	50	0		HEAARM
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000001117616	557188380	/nfs/dbraw/zinc/18/83/80/557188380.db2.gz	UKIYZBKVBWZEOZ-UHFFFAOYSA-N	-1	0	409.416	2.078	50	0		HEAARM
C[C@H](NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1CCCO1	ZINC000005041625	557628602	/nfs/dbraw/zinc/62/86/02/557628602.db2.gz	SGIFMUWXDOFORS-WFASDCNBSA-N	-1	0	407.521	2.131	50	0		HEAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCOCC2)c1	ZINC000007360476	557739730	/nfs/dbraw/zinc/73/97/30/557739730.db2.gz	MLVIQWSGXGNHJO-UHFFFAOYSA-N	-1	0	420.487	2.367	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000002787044	557759179	/nfs/dbraw/zinc/75/91/79/557759179.db2.gz	XTGYYZWLJJFELT-HZPDHXFCSA-N	-1	0	401.785	2.411	50	0		HEAARM
CCc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022854631	557842110	/nfs/dbraw/zinc/84/21/10/557842110.db2.gz	NMFZMIUWTHKKOO-MRXNPFEDSA-N	-1	0	423.489	2.036	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)N1CCc2ccccc2C1	ZINC000013235797	558527636	/nfs/dbraw/zinc/52/76/36/558527636.db2.gz	MSLKESFZVMNMLL-FQEVSTJZSA-N	-1	0	420.469	2.048	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)N1CCc2ccccc21	ZINC000013235767	558527664	/nfs/dbraw/zinc/52/76/64/558527664.db2.gz	AKECWTNEQIVEOP-SFHVURJKSA-N	-1	0	406.442	2.052	50	0		HEAARM
CC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1	ZINC000023718049	558570342	/nfs/dbraw/zinc/57/03/42/558570342.db2.gz	ZZLUROGZZYTYKD-UHFFFAOYSA-N	-1	0	416.452	2.011	50	0		HEAARM
O=C([O-])CC1(CNC(=O)COc2ccc3nc4n(c(=O)c3c2)CCC4)CCCCC1	ZINC000013721209	558582143	/nfs/dbraw/zinc/58/21/43/558582143.db2.gz	NNHCFRVHGKZPKN-UHFFFAOYSA-N	-1	0	413.474	2.263	50	0		HEAARM
O=C(CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCCC1	ZINC000024069078	558587604	/nfs/dbraw/zinc/58/76/04/558587604.db2.gz	IUHDAYQFBKIOIW-UHFFFAOYSA-N	-1	0	407.517	2.291	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1	ZINC000004483322	558602942	/nfs/dbraw/zinc/60/29/42/558602942.db2.gz	QXFRYCSISLLAOD-QZTJIDSGSA-N	-1	0	411.393	2.156	50	0		HEAARM
COc1cccc(-c2cc(C(=O)[O-])c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)c1	ZINC000026421273	558660516	/nfs/dbraw/zinc/66/05/16/558660516.db2.gz	QOTUFZGGFFEPFC-CYBMUJFWSA-N	-1	0	401.444	2.473	50	0		HEAARM
O=C(CSc1nc2c(-c3ccc(F)cc3)c[n-]n2c(=O)n1)Nc1nccs1	ZINC000015107359	558723313	/nfs/dbraw/zinc/72/33/13/558723313.db2.gz	HMYZUKMOBHPJLM-UHFFFAOYSA-N	-1	0	402.436	2.411	50	0		HEAARM
COc1ccc(OC)c(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1	ZINC000035686138	558795012	/nfs/dbraw/zinc/79/50/12/558795012.db2.gz	DTFMAJGTECLGTR-MRXNPFEDSA-N	-1	0	404.444	2.159	50	0		HEAARM
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)cc1	ZINC000017092282	558820822	/nfs/dbraw/zinc/82/08/22/558820822.db2.gz	BPZIQUHWZSXTFP-RBUKOAKNSA-N	-1	0	420.531	2.310	50	0		HEAARM
O=C([O-])c1cc(-n2ccc(-c3ccccc3)n2)cc(S(=O)(=O)N2CCOCC2)c1	ZINC000071767729	558910789	/nfs/dbraw/zinc/91/07/89/558910789.db2.gz	CGPQKVFEVNDDHE-UHFFFAOYSA-N	-1	0	413.455	2.258	50	0		HEAARM
Cc1cc2ncn(-c3cc(C(=O)[O-])cc(S(=O)(=O)N4CCOCC4)c3)c2cc1C	ZINC000072174473	558930548	/nfs/dbraw/zinc/93/05/48/558930548.db2.gz	QMHKZVFYLWCKRD-UHFFFAOYSA-N	-1	0	415.471	2.361	50	0		HEAARM
CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000100028393	559128759	/nfs/dbraw/zinc/12/87/59/559128759.db2.gz	AEHFUSUKUVVNSP-IRXDYDNUSA-N	-1	0	413.434	2.480	50	0		HEAARM
CC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000100033238	559128909	/nfs/dbraw/zinc/12/89/09/559128909.db2.gz	UOQDDJOQEXQNPV-RBUKOAKNSA-N	-1	0	405.414	2.130	50	0		HEAARM
CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O	ZINC000100479184	559135626	/nfs/dbraw/zinc/13/56/26/559135626.db2.gz	UBZNZRWGZLEXFV-UHFFFAOYSA-N	-1	0	415.471	2.407	50	0		HEAARM
COc1ccc(N2C(=O)C[C@@H](N(CCc3ccccc3)C(=O)C=CC(=O)[O-])C2=O)cc1	ZINC000033396385	559160933	/nfs/dbraw/zinc/16/09/33/559160933.db2.gz	LTKZBUONMLKFLN-YAINUAMHSA-N	-1	0	422.437	2.039	50	0		HEAARM
COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c(=O)nc2ccc(Cl)cn2c1[O-]	ZINC000205951024	559186971	/nfs/dbraw/zinc/18/69/71/559186971.db2.gz	XECNHGKDQPBRNJ-GFCCVEGCSA-N	-1	0	404.806	2.463	50	0		HEAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)c1	ZINC000005075418	559240862	/nfs/dbraw/zinc/24/08/62/559240862.db2.gz	NSNNWUJARFVMBP-UHFFFAOYSA-N	-1	0	412.489	2.045	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCS3(=O)=O)c2)c(OC)c1	ZINC000005075770	559240869	/nfs/dbraw/zinc/24/08/69/559240869.db2.gz	WIPHMKIVHINWKE-UHFFFAOYSA-N	-1	0	412.489	2.045	50	0		HEAARM
CCOc1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C	ZINC000011858090	559262711	/nfs/dbraw/zinc/26/27/11/559262711.db2.gz	DCQQTSVHMCGMDH-UHFFFAOYSA-N	-1	0	424.500	2.261	50	0		HEAARM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(I)cc2)cc1O	ZINC000008834389	560756770	/nfs/dbraw/zinc/75/67/70/560756770.db2.gz	PWOSPQIKPOCVPG-UHFFFAOYSA-N	-1	0	419.196	2.496	50	0		HEAARM
CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1	ZINC000101169287	560787724	/nfs/dbraw/zinc/78/77/24/560787724.db2.gz	NKLGIGMVMOMDQC-MSOLQXFVSA-N	-1	0	413.384	2.459	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000101416215	560794599	/nfs/dbraw/zinc/79/45/99/560794599.db2.gz	XDFABBKPWDMYOO-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4O)CC3)C2=O)cc1	ZINC000101490831	560795916	/nfs/dbraw/zinc/79/59/16/560795916.db2.gz	YBAWIYWNNRJJJU-LJQANCHMSA-N	-1	0	423.469	2.383	50	0		HEAARM
COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)c(OC)c1	ZINC000101762101	560800454	/nfs/dbraw/zinc/80/04/54/560800454.db2.gz	NRISOTPZGHWVLW-HNNXBMFYSA-N	-1	0	414.462	2.203	50	0		HEAARM
COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1	ZINC000101762595	560800627	/nfs/dbraw/zinc/80/06/27/560800627.db2.gz	FPFWYIFTUPKMOO-HNNXBMFYSA-N	-1	0	412.833	2.332	50	0		HEAARM
CCOc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1	ZINC000101762773	560800737	/nfs/dbraw/zinc/80/07/37/560800737.db2.gz	FNOPGNXONZKOFZ-OAHLLOKOSA-N	-1	0	422.441	2.077	50	0		HEAARM
O=C(Nc1nnc(SCc2cc(=O)n3nc[n-]c3n2)s1)c1ccccc1Cl	ZINC000102621494	560818308	/nfs/dbraw/zinc/81/83/08/560818308.db2.gz	XWKMDMQPKINARZ-UHFFFAOYSA-N	-1	0	419.879	2.467	50	0		HEAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(F)ccc4F)c=3c2=O)cc1	ZINC000102906793	560835132	/nfs/dbraw/zinc/83/51/32/560835132.db2.gz	ZAGFGZFJBZAPOY-QZTJIDSGSA-N	-1	0	413.384	2.459	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccccc1Cl	ZINC000103085974	560837720	/nfs/dbraw/zinc/83/77/20/560837720.db2.gz	GWNWEJPOMYQWGR-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccccc1Cl	ZINC000101166571	560851200	/nfs/dbraw/zinc/85/12/00/560851200.db2.gz	UCLTYJMPXLVNGY-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cc(OC)cc(OC)c4)c(=O)c2=3)c1	ZINC000101260861	560851499	/nfs/dbraw/zinc/85/14/99/560851499.db2.gz	MNSZSQFUAPDRFK-ZWKOTPCHSA-N	-1	0	412.402	2.219	50	0		HEAARM
COC(=O)c1ccc(COc2c(OC)cc([C@@H]3N[C@@H](C(=O)[O-])CS3)cc2OC)o1	ZINC000020606357	560885830	/nfs/dbraw/zinc/88/58/30/560885830.db2.gz	HOSCMJLFLVHKFN-SJKOYZFVSA-N	-1	0	423.443	2.451	50	0		HEAARM
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000012235988	568455132	/nfs/dbraw/zinc/45/51/32/568455132.db2.gz	UZAQDCANXYVYAH-GFCCVEGCSA-N	-1	0	421.903	2.453	50	0		HEAARM
Cc1cc2nc(CN(C)C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)[nH]c2cc1C	ZINC000218164163	568475919	/nfs/dbraw/zinc/47/59/19/568475919.db2.gz	RJOHDVMRALMHIA-OAQYLSRUSA-N	-1	0	400.479	2.432	50	0		HEAARM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4cccnc4)CC3)cc21	ZINC000000794062	568480531	/nfs/dbraw/zinc/48/05/31/568480531.db2.gz	WLLUVPMXHQMBFK-UHFFFAOYSA-N	-1	0	424.432	2.216	50	0		HEAARM
Cc1ccccc1N1CCCN(C(=O)CC[C@@]2(CCC(=O)[O-])CCC(=O)N2)CC1	ZINC000223648039	568554854	/nfs/dbraw/zinc/55/48/54/568554854.db2.gz	OXAUPRUKTMIWTB-JOCHJYFZSA-N	-1	0	401.507	2.328	50	0		HEAARM
O=C([O-])c1cc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)ccc1O	ZINC000020272596	568596333	/nfs/dbraw/zinc/59/63/33/568596333.db2.gz	JNUMCMMYPSWILL-UHFFFAOYSA-N	-1	0	424.818	2.063	50	0		HEAARM
CCOc1ccc(C[C@@H](CNC(=O)c2ccc(CS(C)(=O)=O)cc2)C(=O)[O-])cc1	ZINC000095425274	568607882	/nfs/dbraw/zinc/60/78/82/568607882.db2.gz	LREKEHWSEAQCFI-SFHVURJKSA-N	-1	0	419.499	2.303	50	0		HEAARM
COc1cc([N-]S(=O)(=O)c2cc(Br)cnc2N)cc(OC)c1OC	ZINC000020467603	568610612	/nfs/dbraw/zinc/61/06/12/568610612.db2.gz	OIWNPFQLCOKJRY-UHFFFAOYSA-N	-1	0	418.269	2.253	50	0		HEAARM
CON(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)cc1	ZINC000095463960	568622342	/nfs/dbraw/zinc/62/23/42/568622342.db2.gz	BIEZJTDBIVXZSI-HNNXBMFYSA-N	-1	0	412.851	2.078	50	0		HEAARM
O=C(Cc1ccccc1I)[N-]S(=O)(=O)c1ccccc1	ZINC000225692444	568664833	/nfs/dbraw/zinc/66/48/33/568664833.db2.gz	AZSUHEWMZDEHRY-UHFFFAOYSA-N	-1	0	401.225	2.339	50	0		HEAARM
CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@](C)(CC)CC(=O)[O-])ccc1OC	ZINC000095970265	568671223	/nfs/dbraw/zinc/67/12/23/568671223.db2.gz	WVGAMAUSBVAWME-SFHVURJKSA-N	-1	0	400.497	2.099	50	0		HEAARM
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c([O-])nc2ccccn2c1=O	ZINC000096115539	568695136	/nfs/dbraw/zinc/69/51/36/568695136.db2.gz	AQCQAUNZLMLICN-CYBMUJFWSA-N	-1	0	414.414	2.121	50	0	biogenic	HEAARM
O=C1NCCCc2nc([N-]S(=O)(=O)c3ccc(Br)cc3)sc21	ZINC000096124417	568700852	/nfs/dbraw/zinc/70/08/52/568700852.db2.gz	XJWRBFAQZNOFHZ-UHFFFAOYSA-N	-1	0	402.295	2.382	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)NCc2ccc(F)cc2)cc1	ZINC000096361267	568739297	/nfs/dbraw/zinc/73/92/97/568739297.db2.gz	BUEMTRIJUACTDK-UHFFFAOYSA-N	-1	0	404.423	2.288	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1	ZINC000096458334	568754003	/nfs/dbraw/zinc/75/40/03/568754003.db2.gz	GXYWQZAFFAMHHE-MOPGFXCFSA-N	-1	0	407.430	2.244	50	0		HEAARM
CCS(=O)(=O)C1CN(C(=O)c2ccc(NS(=O)(=O)c3cccc(C)c3)cc2)C1	ZINC000225746945	568780585	/nfs/dbraw/zinc/78/05/85/568780585.db2.gz	XAMHDSSMVQQQGC-UHFFFAOYSA-N	-1	0	422.528	2.055	50	0		HEAARM
O=C([O-])[C@@H]1CCCN1C(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1	ZINC000002993164	568836523	/nfs/dbraw/zinc/83/65/23/568836523.db2.gz	USDFRWGXLQCRDH-YTBHAWNYSA-N	-1	0	408.410	2.262	50	0		HEAARM
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@@H]21	ZINC000012496501	568839091	/nfs/dbraw/zinc/83/90/91/568839091.db2.gz	TUZYXOIXSAXUGO-SDYRHPPTSA-N	-1	0	424.534	2.440	50	0	in-man	HEAARM
CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2Br)cc1	ZINC000012521056	568841469	/nfs/dbraw/zinc/84/14/69/568841469.db2.gz	PPLGQWMOAQKJSY-UHFFFAOYSA-N	-1	0	419.322	2.466	50	0		HEAARM
CS(=O)(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cccc(NC(=O)C3CC3)c2)c1	ZINC000052797743	568877221	/nfs/dbraw/zinc/87/72/21/568877221.db2.gz	VKFIROYITPLTGK-UHFFFAOYSA-N	-1	0	412.464	2.379	50	0		HEAARM
Cc1c(C)[n+]([O-])c([C@@H](c2c([O-])n(C)c(=O)n(C)c2=O)C(C)C)n1Cc1ccccc1	ZINC000263588072	568883435	/nfs/dbraw/zinc/88/34/35/568883435.db2.gz	OSWPFOZGAHFAMV-QGZVFWFLSA-N	-1	0	412.490	2.193	50	0		HEAARM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(-c2nnnn2C)c1	ZINC000012651312	568906624	/nfs/dbraw/zinc/90/66/24/568906624.db2.gz	FQBAMKOIBJESDJ-UHFFFAOYSA-N	-1	0	424.280	2.449	50	0		HEAARM
O=C([O-])[C@H]1CCCN1C(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O	ZINC000004090519	568942033	/nfs/dbraw/zinc/94/20/33/568942033.db2.gz	PNARHJLMOIEDMU-MSOLQXFVSA-N	-1	0	413.474	2.012	50	0	biogenic	HEAARM
O=C(c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CCN(C(=O)C2CC2)CC1	ZINC000012773560	568953177	/nfs/dbraw/zinc/95/31/77/568953177.db2.gz	XPJUMVWRBNTSFF-UHFFFAOYSA-N	-1	0	419.528	2.243	50	0		HEAARM
COc1ccc(Br)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000007986226	568964696	/nfs/dbraw/zinc/96/46/96/568964696.db2.gz	FTHJHAUTKHTXBN-ZDUSSCGKSA-N	-1	0	414.277	2.432	50	0		HEAARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccccn2)s1	ZINC000015720831	568976465	/nfs/dbraw/zinc/97/64/65/568976465.db2.gz	CFJVAFDJTJMPLY-UHFFFAOYSA-N	-1	0	400.441	2.135	50	0		HEAARM
CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc21	ZINC000015936516	569023518	/nfs/dbraw/zinc/02/35/18/569023518.db2.gz	HCPRYXIZRKSNQG-CXAGYDPISA-N	-1	0	418.471	2.315	50	0		HEAARM
Cc1c(C)c2c(OCC(=O)NCCC(=O)[O-])cc3c(c2oc1=O)CCC(C)(C)O3	ZINC000006623967	569075352	/nfs/dbraw/zinc/07/53/52/569075352.db2.gz	VHQYFVSMJBGZFY-UHFFFAOYSA-N	-1	0	403.431	2.483	50	0	biogenic	HEAARM
CC[C@H](C)[C@@H](C(=O)NCC1CCC(C(=O)[O-])CC1)n1nnc2ccccc2c1=O	ZINC000006658604	569083437	/nfs/dbraw/zinc/08/34/37/569083437.db2.gz	USUQFNCQIMZJIS-HKLFFYFNSA-N	-1	0	400.479	2.386	50	0		HEAARM
CCN(CC[NH+](C)C)c1ncc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000064843926	569107683	/nfs/dbraw/zinc/10/76/83/569107683.db2.gz	XIMTXYVHMPVPFF-UHFFFAOYSA-N	-1	0	410.471	2.108	50	0		HEAARM
CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3Cc2ccccc2F)CO1	ZINC000006756563	569112774	/nfs/dbraw/zinc/11/27/74/569112774.db2.gz	XIONCLOATKRTLU-UHFFFAOYSA-N	-1	0	418.446	2.348	50	0		HEAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccn3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036359376	569150656	/nfs/dbraw/zinc/15/06/56/569150656.db2.gz	CABFWLVJSFKPGD-FQEVSTJZSA-N	-1	0	408.458	2.215	50	0		HEAARM
CCCOC(=O)c1ccc([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)cc1	ZINC000006859744	569157411	/nfs/dbraw/zinc/15/74/11/569157411.db2.gz	VPFROUVMMNGVKN-UHFFFAOYSA-N	-1	0	407.473	2.432	50	0		HEAARM
COC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)CCN1C(=O)c2ccccc2C1=O	ZINC000036392217	569167461	/nfs/dbraw/zinc/16/74/61/569167461.db2.gz	BLKIXCGSKMSCJN-UHFFFAOYSA-N	-1	0	422.846	2.165	50	0		HEAARM
O=C(COc1ccc(Br)cc1F)NN1C(=O)NC2(CCCCC2)C1=O	ZINC000007200640	569228445	/nfs/dbraw/zinc/22/84/45/569228445.db2.gz	OSWDCQXGOJMPFA-UHFFFAOYSA-N	-1	0	414.231	2.253	50	0		HEAARM
NS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2F)cc2c1CCC2	ZINC000170592100	569240985	/nfs/dbraw/zinc/24/09/85/569240985.db2.gz	SJBOKOQOCHRIGR-MRXNPFEDSA-N	-1	0	424.425	2.047	50	0		HEAARM
CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CC1	ZINC000170598640	569242601	/nfs/dbraw/zinc/24/26/01/569242601.db2.gz	DUKGDTDYWLHUGD-UHFFFAOYSA-N	-1	0	401.535	2.365	50	0		HEAARM
CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc(S(N)(=O)=O)c1	ZINC000170600680	569243043	/nfs/dbraw/zinc/24/30/43/569243043.db2.gz	KGNFXULQRXXZEF-UHFFFAOYSA-N	-1	0	412.489	2.028	50	0		HEAARM
COCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1	ZINC000013850808	569258192	/nfs/dbraw/zinc/25/81/92/569258192.db2.gz	MGDMPBUTGFASIQ-UHFFFAOYSA-N	-1	0	412.895	2.455	50	0		HEAARM
CCCCCCn1c(=O)[nH]c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1=O	ZINC000017112434	569274842	/nfs/dbraw/zinc/27/48/42/569274842.db2.gz	PKCLLYZKWMXFRS-LSDHHAIUSA-N	-1	0	404.419	2.395	50	0	biogenic	HEAARM
CC(C)[C@H](NC(=O)COc1ccc(C(=O)COc2ccccc2)c(O)c1)C(=O)[O-]	ZINC000002124184	569285711	/nfs/dbraw/zinc/28/57/11/569285711.db2.gz	ZTWQMPFVZYJIRQ-FQEVSTJZSA-N	-1	0	401.415	2.258	50	0	biogenic	HEAARM
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O	ZINC000002129902	569286499	/nfs/dbraw/zinc/28/64/99/569286499.db2.gz	DGUQGALTZZPLJP-OALUTQOASA-N	-1	0	423.469	2.089	50	0	biogenic	HEAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1cc(-c2ccccc2)ncc1=O	ZINC000252494329	569290719	/nfs/dbraw/zinc/29/07/19/569290719.db2.gz	NSFHTHMCPLHZSG-LJQANCHMSA-N	-1	0	416.437	2.204	50	0		HEAARM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(N2CCNC2=O)ccc1F	ZINC000253429139	569368803	/nfs/dbraw/zinc/36/88/03/569368803.db2.gz	CAZRAWPCNLTVTD-UHFFFAOYSA-N	-1	0	407.423	2.417	50	0		HEAARM
O=C([O-])CCCCCNC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1	ZINC000002430288	569399176	/nfs/dbraw/zinc/39/91/76/569399176.db2.gz	GKNMEKMEKJKKRI-UHFFFAOYSA-N	-1	0	400.479	2.359	50	0		HEAARM
CCC1C(=O)N=C(SCC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)N=C1[O-]	ZINC000012662264	569402739	/nfs/dbraw/zinc/40/27/39/569402739.db2.gz	WQLAGMMDTNEVTH-NSHDSACASA-N	-1	0	419.503	2.293	50	0	biogenic	HEAARM
Nc1nncn1C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000008710351	571105070	/nfs/dbraw/zinc/10/50/70/571105070.db2.gz	SAZPRGXUEXMPSG-UHFFFAOYSA-N	-1	0	422.264	2.112	50	0		HEAARM
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1	ZINC000040074746	571154595	/nfs/dbraw/zinc/15/45/95/571154595.db2.gz	ABXLGNFWBSSVML-DZGCQCFKSA-N	-1	0	400.456	2.264	50	0		HEAARM
CSCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O	ZINC000009059092	571217069	/nfs/dbraw/zinc/21/70/69/571217069.db2.gz	PYIHHWNXKZIHRG-GJZGRUSLSA-N	-1	0	407.492	2.012	50	0	biogenic	HEAARM
O=C([O-])Cn1c(=O)c2c3c(sc2n(CC(=O)c2ccc(Cl)cc2)c1=O)CCC3	ZINC000009410565	571255872	/nfs/dbraw/zinc/25/58/72/571255872.db2.gz	ITLLSWYFELOTMC-UHFFFAOYSA-N	-1	0	418.858	2.334	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(Cl)c3)c(=O)c1=2)NCc1ccccc1	ZINC000009675453	571278876	/nfs/dbraw/zinc/27/88/76/571278876.db2.gz	HPXJDIFMJJJYNA-SJORKVTESA-N	-1	0	415.812	2.089	50	0		HEAARM
O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)NCc1ccc2c(c1)OCO2	ZINC000009762021	571284671	/nfs/dbraw/zinc/28/46/71/571284671.db2.gz	IESHHZHQTZHWGD-UHFFFAOYSA-N	-1	0	423.447	2.074	50	0		HEAARM
Cn1ncnc1COc1ccc(S(=O)(=O)[N-]c2nccc3sccc32)cc1	ZINC000096013514	571304925	/nfs/dbraw/zinc/30/49/25/571304925.db2.gz	PIDGGPDWDVPWQU-UHFFFAOYSA-N	-1	0	401.473	2.805	50	0		HEAARM
O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2ccc(N3CCOCC3)cc2)C1=O	ZINC000001800982	132247814	/nfs/dbraw/zinc/24/78/14/132247814.db2.gz	INMMAGGRCJKHTO-MRXNPFEDSA-N	-1	0	413.455	2.041	50	0		HEAARM
CCn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(=O)c2cc3c(cc21)OCO3	ZINC000032603264	523344277	/nfs/dbraw/zinc/34/42/77/523344277.db2.gz	GMUVKSIPHPNWJE-MRXNPFEDSA-N	-1	0	408.410	2.176	50	0		HEAARM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	ZINC000241139436	523890050	/nfs/dbraw/zinc/89/00/50/523890050.db2.gz	JQWDRBZTONGFEP-DNIRFERGSA-N	-1	0	407.410	2.453	50	0		HEAARM
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(OCc3ccccn3)c2)cc1	ZINC000032833751	527319766	/nfs/dbraw/zinc/31/97/66/527319766.db2.gz	PCUOXFXTCOYEQZ-UHFFFAOYSA-N	-1	0	419.484	2.109	50	0		HEAARM
CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC	ZINC000012889788	535705006	/nfs/dbraw/zinc/70/50/06/535705006.db2.gz	YIUVWIYYICLYRK-QISBLDNZSA-N	-1	0	418.494	2.185	50	0	biogenic	HEAARM
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1	ZINC000000629830	557025647	/nfs/dbraw/zinc/02/56/47/557025647.db2.gz	NZGSLSKOMBMYGE-UHFFFAOYSA-N	-1	0	402.472	2.452	50	0		HEAARM
C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(Br)c1)C(=O)[O-]	ZINC000002117310	557315700	/nfs/dbraw/zinc/31/57/00/557315700.db2.gz	FALTYPKSKKRQLF-ADVUTCEVSA-N	-1	0	407.220	2.402	50	0		HEAARM
CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000003875980	557502148	/nfs/dbraw/zinc/50/21/48/557502148.db2.gz	GPXLMGHLHQJAGZ-JTDSTZFVSA-N	-1	0	414.483	2.484	50	0	fda	HEAARM
O=C([O-])c1ccc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1	ZINC000004018992	557505638	/nfs/dbraw/zinc/50/56/38/557505638.db2.gz	YSWNUKQBWUAHOX-UHFFFAOYSA-N	-1	0	403.188	2.382	50	0		HEAARM
CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc([C@H]3CNC(=O)C3)cc1)OCO2	ZINC000004727365	557587483	/nfs/dbraw/zinc/58/74/83/557587483.db2.gz	IVCVYOUFDSPGHI-CYBMUJFWSA-N	-1	0	402.428	2.022	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)c1	ZINC000020716874	558401586	/nfs/dbraw/zinc/40/15/86/558401586.db2.gz	HSKBABXSBWVVDI-BEFAXECRSA-N	-1	0	402.472	2.344	50	0		HEAARM
C[C@@H](NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000012940882	558487099	/nfs/dbraw/zinc/48/70/99/558487099.db2.gz	OZVQLBQFHPLGHA-CYBMUJFWSA-N	-1	0	410.879	2.120	50	0		HEAARM
O=C(NCCCN1CCOCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000023743288	558573393	/nfs/dbraw/zinc/57/33/93/558573393.db2.gz	NOYGOVMZRGXCPG-UHFFFAOYSA-N	-1	0	409.533	2.001	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccccc1Cl	ZINC000004483359	558602955	/nfs/dbraw/zinc/60/29/55/558602955.db2.gz	UCLTYJMPXLVNGY-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
COc1ccc(CCN2C(=O)C[C@@H](Nc3cc(C(=O)[O-])ccc3C)C2=O)cc1OC	ZINC000025561233	558643869	/nfs/dbraw/zinc/64/38/69/558643869.db2.gz	AFMPTKINLLINON-QGZVFWFLSA-N	-1	0	412.442	2.493	50	0		HEAARM
Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)cc1C	ZINC000017088021	558816758	/nfs/dbraw/zinc/81/67/58/558816758.db2.gz	ZXOLSDPSZQHVMR-MSOLQXFVSA-N	-1	0	408.520	2.027	50	0		HEAARM
C[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br)C(=O)[O-]	ZINC000013544786	558842707	/nfs/dbraw/zinc/84/27/07/558842707.db2.gz	IIDHAYCIVBAIKQ-GMROUXNLSA-N	-1	0	407.220	2.402	50	0		HEAARM
COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)n2)c(F)c1	ZINC000049549224	558850213	/nfs/dbraw/zinc/85/02/13/558850213.db2.gz	HNFSRYQBHONPDV-HXUWFJFHSA-N	-1	0	411.389	2.000	50	0		HEAARM
Cn1cc(S(=O)(=O)[N-]c2ccc(NC(=O)N3CCCCCC3)cc2)cc1C(N)=O	ZINC000058438447	558927117	/nfs/dbraw/zinc/92/71/17/558927117.db2.gz	KPGAMFQFQOVMJY-UHFFFAOYSA-N	-1	0	419.507	2.333	50	0		HEAARM
COc1ccc2c(N)nn(-c3cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c3)c2c1	ZINC000072143584	558929409	/nfs/dbraw/zinc/92/94/09/558929409.db2.gz	MPJXPQZEERAMGH-UHFFFAOYSA-N	-1	0	404.448	2.001	50	0		HEAARM
Cc1ccc(C(=O)N2CCN(C(=O)c3cc(C)ccc3[N-]S(C)(=O)=O)CC2)cc1	ZINC000060093515	558941087	/nfs/dbraw/zinc/94/10/87/558941087.db2.gz	AKNXHVWBVHPKSR-UHFFFAOYSA-N	-1	0	415.515	2.273	50	0		HEAARM
CCOc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1	ZINC000100033179	559128905	/nfs/dbraw/zinc/12/89/05/559128905.db2.gz	RFQJJVFEDIUGBY-RTBURBONSA-N	-1	0	407.430	2.326	50	0		HEAARM
O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c1-2	ZINC000100165691	559167882	/nfs/dbraw/zinc/16/78/82/559167882.db2.gz	IBCWCPCOCVOGKE-LSDHHAIUSA-N	-1	0	417.343	2.266	50	0		HEAARM
Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1	ZINC000004852081	559191380	/nfs/dbraw/zinc/19/13/80/559191380.db2.gz	ZAEVOYHFMFTLEO-WOJBJXKFSA-N	-1	0	405.458	2.221	50	0		HEAARM
CCOc1ccc(C(=O)Nc2c(N)nc(S[C@@H](CC)C(=O)OC)[n-]c2=O)cc1	ZINC000005082068	559242739	/nfs/dbraw/zinc/24/27/39/559242739.db2.gz	BIVQOFSBUYBGPA-LBPRGKRZSA-N	-1	0	406.464	2.047	50	0		HEAARM
COc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc(Cl)cc3)c(C(N)=O)n2)c1[O-]	ZINC000005151542	559253945	/nfs/dbraw/zinc/25/39/45/559253945.db2.gz	OQUDABPRUWFYOW-UHFFFAOYSA-N	-1	0	411.805	2.242	50	0		HEAARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2	ZINC000005153576	559254312	/nfs/dbraw/zinc/25/43/12/559254312.db2.gz	GGYDLUURGYHEMQ-UHFFFAOYSA-N	-1	0	400.456	2.499	50	0		HEAARM
COc1ccccc1[N-]S(=O)(=O)c1c(C)cc(N2C(=O)CCS2(=O)=O)cc1C	ZINC000011904795	559266339	/nfs/dbraw/zinc/26/63/39/559266339.db2.gz	ALESFPBEZHMHLV-UHFFFAOYSA-N	-1	0	424.500	2.179	50	0		HEAARM
COc1cc(CNC(C)=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc(OC)c1	ZINC000005624596	560633527	/nfs/dbraw/zinc/63/35/27/560633527.db2.gz	QENZXGXVBNFVCR-RGEXLXHISA-N	-1	0	409.442	2.346	50	0		HEAARM
O=C([O-])c1ccccc1NC(=S)N[C@H](NC(=O)CF)C(Cl)(Cl)Cl	ZINC000003147732	560739431	/nfs/dbraw/zinc/73/94/31/560739431.db2.gz	UXFRDBFGCHYPES-JTQLQIEISA-N	-1	0	402.662	2.453	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4Cl)c=3c2=O)cc1	ZINC000101165919	560787317	/nfs/dbraw/zinc/78/73/17/560787317.db2.gz	PBRPZRCEQYDGFR-IRXDYDNUSA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1	ZINC000101277510	560790289	/nfs/dbraw/zinc/79/02/89/560790289.db2.gz	KNFLEZATTADFON-IRXDYDNUSA-N	-1	0	404.386	2.239	50	0		HEAARM
CCC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1ccccc1	ZINC000101765084	560799589	/nfs/dbraw/zinc/79/95/89/560799589.db2.gz	VWAONCYTGBOEBL-GOSISDBHSA-N	-1	0	418.453	2.378	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)cc1	ZINC000101892735	560804486	/nfs/dbraw/zinc/80/44/86/560804486.db2.gz	PDKYRYAOWUVWKU-IRXDYDNUSA-N	-1	0	404.386	2.239	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccc(Cl)cc1	ZINC000101999609	560806986	/nfs/dbraw/zinc/80/69/86/560806986.db2.gz	CMKVAKQBVKWPIB-HOTGVXAUSA-N	-1	0	401.785	2.411	50	0		HEAARM
Cc1ccccc1[N-]S(=O)(=O)c1c[nH]c(-c2nnc(C(=O)N3CCCC3)o2)c1	ZINC000085808737	568442449	/nfs/dbraw/zinc/44/24/49/568442449.db2.gz	KOUUMGWFMNTASW-UHFFFAOYSA-N	-1	0	401.448	2.410	50	0		HEAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1	ZINC000049002680	568446131	/nfs/dbraw/zinc/44/61/31/568446131.db2.gz	KNFLEZATTADFON-DLBZAZTESA-N	-1	0	404.386	2.239	50	0		HEAARM
COc1ccc(C)cc1CN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1	ZINC000049609508	568452596	/nfs/dbraw/zinc/45/25/96/568452596.db2.gz	FQMOXDYSEUKONX-UHFFFAOYSA-N	-1	0	410.517	2.270	50	0		HEAARM
COc1cnc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc2)nc1	ZINC000095440786	568610649	/nfs/dbraw/zinc/61/06/49/568610649.db2.gz	HLGHSMDBGLZLIE-LBPRGKRZSA-N	-1	0	417.274	2.418	50	0		HEAARM
COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)[N-]c1ccccc1S(C)(=O)=O	ZINC000095447983	568612449	/nfs/dbraw/zinc/61/24/49/568612449.db2.gz	NXRCSYSSXFZLEV-UHFFFAOYSA-N	-1	0	424.500	2.248	50	0		HEAARM
CC(C)C(=O)Nc1nc(CC(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cs1	ZINC000095453034	568615680	/nfs/dbraw/zinc/61/56/80/568615680.db2.gz	PZQVOLLMLMHUMJ-NSHDSACASA-N	-1	0	400.501	2.241	50	0		HEAARM
CCCn1c(=O)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2[n-]c1=S	ZINC000020645325	568638904	/nfs/dbraw/zinc/63/89/04/568638904.db2.gz	XAEPRWWRWQOQDQ-UHFFFAOYSA-N	-1	0	409.515	2.453	50	0		HEAARM
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1OC)n(C)c(=O)n2C	ZINC000020853954	568645247	/nfs/dbraw/zinc/64/52/47/568645247.db2.gz	LYKWDKLPRVHTLP-UHFFFAOYSA-N	-1	0	411.867	2.348	50	0		HEAARM
Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2cccs2)CC3)c1	ZINC000096025704	568686531	/nfs/dbraw/zinc/68/65/31/568686531.db2.gz	CKWHYDNUYFWBKZ-UHFFFAOYSA-N	-1	0	402.501	2.481	50	0		HEAARM
Cn1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cn1	ZINC000096103626	568691879	/nfs/dbraw/zinc/69/18/79/568691879.db2.gz	PQLAIECICZMAPC-UHFFFAOYSA-N	-1	0	402.501	2.481	50	0		HEAARM
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000096115929	568695506	/nfs/dbraw/zinc/69/55/06/568695506.db2.gz	FSSOUCRKPHWKKV-LBPRGKRZSA-N	-1	0	404.806	2.463	50	0	biogenic	HEAARM
O=C([O-])CCNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1	ZINC000096765976	568710365	/nfs/dbraw/zinc/71/03/65/568710365.db2.gz	SMWMJXUYANANLW-KMKOMSMNSA-N	-1	0	404.400	2.244	50	0		HEAARM
COc1ccccc1CNC(=O)CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O	ZINC000002966859	568831031	/nfs/dbraw/zinc/83/10/31/568831031.db2.gz	QSGQTNIEWBFHLB-MRXNPFEDSA-N	-1	0	408.483	2.460	50	0		HEAARM
COC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217598386	568896454	/nfs/dbraw/zinc/89/64/54/568896454.db2.gz	XULYYOTYXWZBLS-MRXNPFEDSA-N	-1	0	403.431	2.429	50	0	biogenic	HEAARM
Nc1nc(SCC(=O)OCc2ccccc2)[n-]c(=O)c1NC(=O)c1ccco1	ZINC000006309649	569039154	/nfs/dbraw/zinc/03/91/54/569039154.db2.gz	UAUHDIRBZHZIHV-UHFFFAOYSA-N	-1	0	400.416	2.033	50	0		HEAARM
Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000035483862	569039680	/nfs/dbraw/zinc/03/96/80/569039680.db2.gz	RLWYAVLAKYIYEA-UHFFFAOYSA-N	-1	0	424.479	2.076	50	0		HEAARM
CC(C)C[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000006624173	569075469	/nfs/dbraw/zinc/07/54/69/569075469.db2.gz	FAUIDMFIOTWXTC-QRTARXTBSA-N	-1	0	418.494	2.183	50	0	biogenic	HEAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)c1	ZINC000006733207	569103726	/nfs/dbraw/zinc/10/37/26/569103726.db2.gz	UNGVOHDAEJZVEG-UHFFFAOYSA-N	-1	0	415.427	2.498	50	0		HEAARM
CC1(C)Cc2sc3c(c2CO1)n(CC(=O)[O-])c(=O)n(CCc1ccccc1)c3=O	ZINC000006760607	569113527	/nfs/dbraw/zinc/11/35/27/569113527.db2.gz	BSVQLRBIMCUXNQ-UHFFFAOYSA-N	-1	0	414.483	2.403	50	0		HEAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036365233	569152146	/nfs/dbraw/zinc/15/21/46/569152146.db2.gz	PEOIBYQKPLKOLN-FQEVSTJZSA-N	-1	0	408.458	2.215	50	0		HEAARM
C[C@@H](CC(=O)NCc1ccc2c(c1)OCO2)CC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000006914256	569179967	/nfs/dbraw/zinc/17/99/67/569179967.db2.gz	PANMHLLJBFGLAT-CYBMUJFWSA-N	-1	0	415.471	2.470	50	0		HEAARM
CC(C)n1cc(C(=O)[O-])c(S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1	ZINC000065240444	569203742	/nfs/dbraw/zinc/20/37/42/569203742.db2.gz	SOBMYSZXVVEXGH-UHFFFAOYSA-N	-1	0	412.899	2.327	50	0		HEAARM
COc1cccc(CNC(=O)c2c([O-])c3cnn(-c4ccc(F)cc4)c3[nH]c2=O)c1	ZINC000065249894	569205909	/nfs/dbraw/zinc/20/59/09/569205909.db2.gz	DPHOMXZFHRHSML-UHFFFAOYSA-N	-1	0	408.389	2.497	50	0		HEAARM
Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccccn1	ZINC000065318887	569221896	/nfs/dbraw/zinc/22/18/96/569221896.db2.gz	APDKXXQEQBRGHO-UHFFFAOYSA-N	-1	0	413.459	2.477	50	0		HEAARM
O=S(=O)([N-]CCn1nc(-c2cnccn2)cc1C1CC1)c1c(F)cccc1F	ZINC000238821336	569225339	/nfs/dbraw/zinc/22/53/39/569225339.db2.gz	CSFKHXFQQFWRHB-UHFFFAOYSA-N	-1	0	405.430	2.474	50	0		HEAARM
CCOC(=O)c1cnn(C)c1[N-]S(=O)(=O)c1cccc(C)c1Br	ZINC000170609205	569244949	/nfs/dbraw/zinc/24/49/49/569244949.db2.gz	DQGAEUVJVYOIGC-UHFFFAOYSA-N	-1	0	402.270	2.469	50	0		HEAARM
O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1nnc(SCC(=O)c2ccccc2)s1	ZINC000002366639	569388197	/nfs/dbraw/zinc/38/81/97/569388197.db2.gz	RFMLWZZKVCEADG-SNVBAGLBSA-N	-1	0	408.486	2.193	50	0		HEAARM
CCOC(=O)C1CCN(c2cnn(-c3ccc(C(=O)[O-])cc3)c(=O)c2Cl)CC1	ZINC000013037386	569388666	/nfs/dbraw/zinc/38/86/66/569388666.db2.gz	UEKDMTFAJLCPPK-UHFFFAOYSA-N	-1	0	405.838	2.364	50	0		HEAARM
CC(C)[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000008738309	571110319	/nfs/dbraw/zinc/11/03/19/571110319.db2.gz	FIVYWKHQPXLMLA-MAZHCROVSA-N	-1	0	404.467	2.443	50	0		HEAARM
Cc1cccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)s2)n1	ZINC000009153246	571231404	/nfs/dbraw/zinc/23/14/04/571231404.db2.gz	UHGGZYHPZFDDBN-UHFFFAOYSA-N	-1	0	414.468	2.444	50	0		HEAARM
COc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3c4[nH]c5ccccc5c4CCN3C)c2=O)cc1	ZINC000009329599	571248674	/nfs/dbraw/zinc/24/86/74/571248674.db2.gz	HEIQAAVHMUZPEJ-FQEVSTJZSA-N	-1	0	418.453	2.299	50	0	biogenic	HEAARM
COC(=O)c1ccccc1NC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1	ZINC000009530224	571266806	/nfs/dbraw/zinc/26/68/06/571266806.db2.gz	LPPMZIJJXSMTMG-UHFFFAOYSA-N	-1	0	405.457	2.315	50	0		HEAARM
Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1CCN(C=O)CC1	ZINC000006588740	132311889	/nfs/dbraw/zinc/31/18/89/132311889.db2.gz	DTEYJCFNAJZBCS-UHFFFAOYSA-N	-1	0	411.487	2.017	50	0		HEAARM
CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c3ccccc3)cc21	ZINC000015936514	132463357	/nfs/dbraw/zinc/46/33/57/132463357.db2.gz	HCPRYXIZRKSNQG-DYVFJYSZSA-N	-1	0	418.471	2.315	50	0		HEAARM
COc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)c(C(=O)N(C)C)cc1OC	ZINC000032824851	522753634	/nfs/dbraw/zinc/75/36/34/522753634.db2.gz	SQTICCUDKQLPKN-UHFFFAOYSA-N	-1	0	400.403	2.485	50	0		HEAARM
COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	ZINC000241139437	523890546	/nfs/dbraw/zinc/89/05/46/523890546.db2.gz	JQWDRBZTONGFEP-RSLMWUCJSA-N	-1	0	407.410	2.453	50	0		HEAARM
Cc1ccc(OCC(=O)N2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)cc1	ZINC000072438195	525381162	/nfs/dbraw/zinc/38/11/62/525381162.db2.gz	GJYAKGCEFVYIDN-SFHVURJKSA-N	-1	0	400.475	2.078	50	0		HEAARM
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC000001423269	525516277	/nfs/dbraw/zinc/51/62/77/525516277.db2.gz	MQDIUYQLALOXSL-MRXNPFEDSA-N	-1	0	402.428	2.012	50	0		HEAARM
C[C@@]1(c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2)NC(=O)NC1=O	ZINC000032818934	525891762	/nfs/dbraw/zinc/89/17/62/525891762.db2.gz	YGWCVASCMSAPSF-INIZCTEOSA-N	-1	0	424.276	2.305	50	0		HEAARM
O=C([O-])c1ccc(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)cc1O	ZINC000041181993	526377056	/nfs/dbraw/zinc/37/70/56/526377056.db2.gz	CYKAXBKMIXXFDC-UHFFFAOYSA-N	-1	0	424.818	2.063	50	0		HEAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H]1COc2ccccc2O1	ZINC000000622508	557019776	/nfs/dbraw/zinc/01/97/76/557019776.db2.gz	OYKFOAVAWYJLKC-KRWDZBQOSA-N	-1	0	412.427	2.056	50	0		HEAARM
COc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCCC1	ZINC000001136324	557201459	/nfs/dbraw/zinc/20/14/59/557201459.db2.gz	FGJJUZRLEVRCQN-UHFFFAOYSA-N	-1	0	404.444	2.430	50	0		HEAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=N)Nc3nc(C)cc(C)n3)cc2)n1	ZINC000002291655	557334939	/nfs/dbraw/zinc/33/49/39/557334939.db2.gz	QZCREBCDUZUPQB-UHFFFAOYSA-N	-1	0	412.479	2.451	50	0		HEAARM
CCCOc1ccc(-c2nnc(CCC(=O)NC[C@@H]3CCCO3)c(=O)[n-]2)cc1OC	ZINC000034767179	557462387	/nfs/dbraw/zinc/46/23/87/557462387.db2.gz	JSXKGASJQUQFLL-HNNXBMFYSA-N	-1	0	416.478	2.269	50	0		HEAARM
COc1cc(-c2nnc(CCC(=O)NC3CCCC3)c(=O)[n-]2)cc(OC)c1OC	ZINC000034767998	557462659	/nfs/dbraw/zinc/46/26/59/557462659.db2.gz	UXRQBPPXACFZSD-UHFFFAOYSA-N	-1	0	402.451	2.261	50	0		HEAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(OC)c(OC)cc1C(=O)OC	ZINC000008626499	557797385	/nfs/dbraw/zinc/79/73/85/557797385.db2.gz	PFLRQPAFNYALBQ-UHFFFAOYSA-N	-1	0	415.445	2.139	50	0		HEAARM
NC(=O)NCCC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-]	ZINC000020745424	558410064	/nfs/dbraw/zinc/41/00/64/558410064.db2.gz	GNCPQMYVOVHXGA-CYBMUJFWSA-N	-1	0	410.883	2.024	50	0		HEAARM
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1	ZINC000013042296	558507960	/nfs/dbraw/zinc/50/79/60/558507960.db2.gz	GNZXUNNUWCAZPZ-UHFFFAOYSA-N	-1	0	412.489	2.216	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000013540690	558537446	/nfs/dbraw/zinc/53/74/46/558537446.db2.gz	JVACKGHJWHDABG-HKLFFYFNSA-N	-1	0	415.490	2.112	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1)C(=O)OC	ZINC000013574683	558543230	/nfs/dbraw/zinc/54/32/30/558543230.db2.gz	FDOXCNUMFNGWLF-ZBEGNZNMSA-N	-1	0	424.479	2.493	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000004484039	558603436	/nfs/dbraw/zinc/60/34/36/558603436.db2.gz	VPPKTOPJFKURNR-CVEARBPZSA-N	-1	0	403.320	2.036	50	0		HEAARM
CCCS(=O)(=O)c1ncc(Br)c(C(=O)[N-]c2nnc(CC)s2)n1	ZINC000027794746	558683075	/nfs/dbraw/zinc/68/30/75/558683075.db2.gz	IOAYFHWVEAJNAO-UHFFFAOYSA-N	-1	0	420.314	2.089	50	0		HEAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c1	ZINC000028813793	558705010	/nfs/dbraw/zinc/70/50/10/558705010.db2.gz	QIDOFBFFJMMDFZ-ZDUSSCGKSA-N	-1	0	406.460	2.439	50	0		HEAARM
C[C@@H]1CCc2c(sc(NC(=O)COCC(=O)[O-])c2C(=O)NCc2cccnc2)C1	ZINC000017091062	558819696	/nfs/dbraw/zinc/81/96/96/558819696.db2.gz	DRQKMDACQMXZJP-GFCCVEGCSA-N	-1	0	417.487	2.238	50	0		HEAARM
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)cc1	ZINC000017092279	558820805	/nfs/dbraw/zinc/82/08/05/558820805.db2.gz	BPZIQUHWZSXTFP-MOPGFXCFSA-N	-1	0	420.531	2.310	50	0		HEAARM
COc1ccc(CCN(C(=O)CCC(=O)[O-])[C@@H]2CC(=O)N(c3ccccc3)C2=O)cc1	ZINC000018324678	558835609	/nfs/dbraw/zinc/83/56/09/558835609.db2.gz	SYCHNWPORKXMIS-LJQANCHMSA-N	-1	0	424.453	2.263	50	0		HEAARM
COCCn1ccc2cc([N-]S(=O)(=O)c3ccccc3S(C)(=O)=O)ccc21	ZINC000058440703	558927642	/nfs/dbraw/zinc/92/76/42/558927642.db2.gz	POMXGMDUOBOARS-UHFFFAOYSA-N	-1	0	408.501	2.492	50	0		HEAARM
Cc1oc(-c2n[nH]cc2C(=O)N2CCOCC2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000097940929	558945878	/nfs/dbraw/zinc/94/58/78/558945878.db2.gz	LLXSMYCABLMIGR-UHFFFAOYSA-N	-1	0	416.459	2.251	50	0		HEAARM
CS(=O)(=O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-]	ZINC000064219236	558962515	/nfs/dbraw/zinc/96/25/15/558962515.db2.gz	KJLKPACOHZKRFM-GOSISDBHSA-N	-1	0	403.456	2.413	50	0		HEAARM
Cc1nc(C)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)s1	ZINC000067631207	558990662	/nfs/dbraw/zinc/99/06/62/558990662.db2.gz	VTYULXLHUKLWCD-UHFFFAOYSA-N	-1	0	401.535	2.345	50	0		HEAARM
Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2ccc[nH]2)CC3)s1	ZINC000077425223	559004744	/nfs/dbraw/zinc/00/47/44/559004744.db2.gz	MFXBORNHDIMMLR-UHFFFAOYSA-N	-1	0	403.489	2.174	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H](C)n2cccn2)CC3)no1	ZINC000077458173	559005885	/nfs/dbraw/zinc/00/58/85/559005885.db2.gz	OCLWOUXWZFYRCS-CQSZACIVSA-N	-1	0	415.475	2.126	50	0		HEAARM
CCCCS(=O)(=O)N1CCc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2C1	ZINC000077471784	559006724	/nfs/dbraw/zinc/00/67/24/559006724.db2.gz	ZDYFIWHIHDTLNP-UHFFFAOYSA-N	-1	0	413.521	2.272	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)c2cnc(C)nc2)CC3)no1	ZINC000077519516	559008261	/nfs/dbraw/zinc/00/82/61/559008261.db2.gz	ICMSIBLCGALPCA-UHFFFAOYSA-N	-1	0	413.459	2.081	50	0		HEAARM
COc1cc(OC)cc(-n2[nH][n-]c3c(=O)n(-c4cc(OC)cc(OC)c4)c(=O)c2=3)c1	ZINC000023125756	559013805	/nfs/dbraw/zinc/01/38/05/559013805.db2.gz	MNSZSQFUAPDRFK-MSOLQXFVSA-N	-1	0	412.402	2.219	50	0		HEAARM
COC(=O)c1[n-]n(-c2ccccc2OC)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2	ZINC000100117706	559155710	/nfs/dbraw/zinc/15/57/10/559155710.db2.gz	DSGRLFQRBDLZQS-NVXWUHKLSA-N	-1	0	413.817	2.256	50	0		HEAARM
O=C([O-])c1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1	ZINC000100355453	559196317	/nfs/dbraw/zinc/19/63/17/559196317.db2.gz	FUYYDZCSDYUXEJ-SFHVURJKSA-N	-1	0	413.861	2.492	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000004992473	559225001	/nfs/dbraw/zinc/22/50/01/559225001.db2.gz	IJLOHBORACZXQN-IAGOWNOFSA-N	-1	0	413.821	2.281	50	0		HEAARM
CC(=O)N1CCc2ccccc2[C@@H]1c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O	ZINC000005119751	559247554	/nfs/dbraw/zinc/24/75/54/559247554.db2.gz	TUUCLBVYNIBPJK-GOSISDBHSA-N	-1	0	411.845	2.379	50	0		HEAARM
CC(C)C[C@H](NC(=O)C1CCC(Cn2nnc3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000005443456	560587861	/nfs/dbraw/zinc/58/78/61/560587861.db2.gz	HFBTYYNZKNDSJM-JMLCCBQJSA-N	-1	0	400.479	2.213	50	0		HEAARM
O=C(C[N-]S(=O)(=O)c1c(F)cccc1F)OCC(=O)c1c[nH]c2ccccc12	ZINC000003379837	560595533	/nfs/dbraw/zinc/59/55/33/560595533.db2.gz	YQQAUUNNDFBOES-UHFFFAOYSA-N	-1	0	408.382	2.151	50	0		HEAARM
Nc1nc(O)c([C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)s1	ZINC000017878853	560729802	/nfs/dbraw/zinc/72/98/02/560729802.db2.gz	XDCMJIAGAMCDCL-KSSFIOAISA-N	-1	0	405.838	2.170	50	0		HEAARM
CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@H]1c1ccc(OC)cc1OC	ZINC000101495154	560796385	/nfs/dbraw/zinc/79/63/85/560796385.db2.gz	CEQVXSMBBMXUEN-ZDUSSCGKSA-N	-1	0	418.475	2.253	50	0		HEAARM
COc1ccc(OC)c([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)c1	ZINC000101762087	560800482	/nfs/dbraw/zinc/80/04/82/560800482.db2.gz	OGJIHIPHVIHYEA-OAHLLOKOSA-N	-1	0	414.462	2.203	50	0		HEAARM
CCc1nn2c([n-]1)nc(CSc1nnc(NC(=O)c3cccs3)s1)cc2=O	ZINC000102621410	560818269	/nfs/dbraw/zinc/81/82/69/560818269.db2.gz	XCTZWUGCPMGQOD-UHFFFAOYSA-N	-1	0	419.517	2.438	50	0		HEAARM
COc1cccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccccc5)no4)c=3c2=O)c1	ZINC000101277517	560851464	/nfs/dbraw/zinc/85/14/64/560851464.db2.gz	KNFLEZATTADFON-IAGOWNOFSA-N	-1	0	404.386	2.239	50	0		HEAARM
CO[N-]C(=O)Cc1csc(NC(=O)c2ccccc2I)n1	ZINC000045013768	560898487	/nfs/dbraw/zinc/89/84/87/560898487.db2.gz	YQLBCCRUFBHDAE-UHFFFAOYSA-N	-1	0	417.228	2.220	50	0		HEAARM
COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000218211006	568476363	/nfs/dbraw/zinc/47/63/63/568476363.db2.gz	LDAHYIHZHZBREG-CYBMUJFWSA-N	-1	0	411.357	2.243	50	0		HEAARM
NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1	ZINC000024830186	568514353	/nfs/dbraw/zinc/51/43/53/568514353.db2.gz	WCNORZVXJNNTHC-UHFFFAOYSA-N	-1	0	405.295	2.038	50	0		HEAARM
Cc1ccc(C)c(N2CCN(C(=O)CC[C@@]3(CCC(=O)[O-])CCC(=O)N3)CC2)c1	ZINC000222546306	568517937	/nfs/dbraw/zinc/51/79/37/568517937.db2.gz	OEFWJBYGYLHMJE-JOCHJYFZSA-N	-1	0	401.507	2.246	50	0		HEAARM
Cc1ccc(C[C@@H](CNC(=O)Cn2nc(-c3ccccc3)ccc2=O)C(=O)[O-])cc1	ZINC000095425421	568607957	/nfs/dbraw/zinc/60/79/57/568607957.db2.gz	LMCIMTZZJGZVLN-IBGZPJMESA-N	-1	0	405.454	2.278	50	0		HEAARM
CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@@]23C(=O)[O-])cc1	ZINC000095469525	568625626	/nfs/dbraw/zinc/62/56/26/568625626.db2.gz	FDTSHNLVFJOBDQ-JOCHJYFZSA-N	-1	0	418.409	2.249	50	0		HEAARM
CCN(CC)S(=O)(=O)c1cc(C(=O)N(CCC(=O)[O-])C(C)C)ccc1OC	ZINC000095970064	568671325	/nfs/dbraw/zinc/67/13/25/568671325.db2.gz	IQRULFNZLWHCLH-UHFFFAOYSA-N	-1	0	400.497	2.051	50	0		HEAARM
COCCN1CCn2cc(S(=O)(=O)[N-]c3cc(Cl)ccc3OC)cc2C1=O	ZINC000096102063	568691152	/nfs/dbraw/zinc/69/11/52/568691152.db2.gz	SICQLTRNZLXMIF-UHFFFAOYSA-N	-1	0	413.883	2.053	50	0		HEAARM
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c([O-])nc2ccccn2c1=O	ZINC000096115917	568695408	/nfs/dbraw/zinc/69/54/08/568695408.db2.gz	OFXOCWMTLIZTLN-CYBMUJFWSA-N	-1	0	414.414	2.121	50	0	biogenic	HEAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)N1CCc3ccccc3C1)c2=O	ZINC000012415779	568718028	/nfs/dbraw/zinc/71/80/28/568718028.db2.gz	OJGXRLGRHOOAKN-UHFFFAOYSA-N	-1	0	409.467	2.431	50	0		HEAARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1	ZINC000226751902	568823360	/nfs/dbraw/zinc/82/33/60/568823360.db2.gz	ODSKMZNLKHAQBH-UONOGXRCSA-N	-1	0	401.488	2.472	50	0		HEAARM
C[C@@H]1CN(C(=S)S[C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)C[C@@H](C)O1	ZINC000227003657	568826873	/nfs/dbraw/zinc/82/68/73/568826873.db2.gz	ULDGZRYIPQYXLY-GYSYKLTISA-N	-1	0	408.501	2.144	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1S(N)(=O)=O	ZINC000005884810	568828251	/nfs/dbraw/zinc/82/82/51/568828251.db2.gz	HERZYZQQKITRKU-UHFFFAOYSA-N	-1	0	411.288	2.450	50	0		HEAARM
COc1ccccc1[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1nccn1C	ZINC000012507785	568839930	/nfs/dbraw/zinc/83/99/30/568839930.db2.gz	LPFXDDLTPKZVPA-QGZVFWFLSA-N	-1	0	401.444	2.195	50	0		HEAARM
CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2CS(C)(=O)=O)c1C	ZINC000084794478	568959934	/nfs/dbraw/zinc/95/99/34/568959934.db2.gz	ALOARXPMLBUBAG-UHFFFAOYSA-N	-1	0	414.505	2.154	50	0		HEAARM
CSCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)C(=O)[O-]	ZINC000008191096	568981223	/nfs/dbraw/zinc/98/12/23/568981223.db2.gz	RJUUBEKMDWFHLH-OAHLLOKOSA-N	-1	0	414.549	2.106	50	0		HEAARM
CC(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)[O-]	ZINC000008429584	569002830	/nfs/dbraw/zinc/00/28/30/569002830.db2.gz	QHKKKYBRYFLWBY-MRXNPFEDSA-N	-1	0	416.927	2.356	50	0		HEAARM
CCCCNC(=O)CN1CCN(c2ccc(NC(=O)C(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589711	569069051	/nfs/dbraw/zinc/06/90/51/569069051.db2.gz	LVTMKCVKBVUPJO-UHFFFAOYSA-N	-1	0	404.511	2.018	50	0		HEAARM
Cc1cn(C)c(CC(=O)NCCCN2CCN(c3ccccc3F)CC2)c1C(=O)[O-]	ZINC000064980567	569140917	/nfs/dbraw/zinc/14/09/17/569140917.db2.gz	WLZPJRCMFHSQHA-UHFFFAOYSA-N	-1	0	416.497	2.042	50	0		HEAARM
COc1ccc(-c2nnc(-c3cc(S(=O)(=O)NCC(=O)[O-])ccc3Cl)o2)cc1	ZINC000064988119	569145604	/nfs/dbraw/zinc/14/56/04/569145604.db2.gz	JQBQGQGCIMJJHH-UHFFFAOYSA-N	-1	0	423.834	2.429	50	0		HEAARM
Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036357961	569149380	/nfs/dbraw/zinc/14/93/80/569149380.db2.gz	LQQHNDROHIFTEC-FQEVSTJZSA-N	-1	0	408.458	2.215	50	0		HEAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccccn3)CC2)c2ccccc21	ZINC000036367163	569152671	/nfs/dbraw/zinc/15/26/71/569152671.db2.gz	PHYAETGUWRKPRX-NRFANRHFSA-N	-1	0	408.458	2.064	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)c(OC)c1	ZINC000006887477	569170812	/nfs/dbraw/zinc/17/08/12/569170812.db2.gz	XPXXLCCFKPYOPK-UHFFFAOYSA-N	-1	0	415.427	2.498	50	0		HEAARM
O=C(NCc1ccc(OC(F)(F)F)cc1)N1CCc2nc3cc[n-]n3c(=O)c2C1	ZINC000169792489	569178141	/nfs/dbraw/zinc/17/81/41/569178141.db2.gz	MFYJLSURFGAJJC-UHFFFAOYSA-N	-1	0	407.352	2.189	50	0		HEAARM
Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1cccnc1	ZINC000065318801	569221812	/nfs/dbraw/zinc/22/18/12/569221812.db2.gz	YCHOQDCUZVVQAJ-UHFFFAOYSA-N	-1	0	413.459	2.477	50	0		HEAARM
CSCC[C@H](NC(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1)C(=O)[O-]	ZINC000238900543	569227872	/nfs/dbraw/zinc/22/78/72/569227872.db2.gz	JKMSBEKATDPQRP-ZQIUZPCESA-N	-1	0	420.535	2.103	50	0		HEAARM
Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](CC[S@@](C)=O)C(=O)[O-])c(C)c3cc12	ZINC000002120128	569284921	/nfs/dbraw/zinc/28/49/21/569284921.db2.gz	VRINVXPZWWHUEC-HOLBHBGLSA-N	-1	0	419.455	2.037	50	0	biogenic	HEAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(=O)[nH]c(=O)n(C2CCCCC2)c1[O-]	ZINC000002293281	569369270	/nfs/dbraw/zinc/36/92/70/569369270.db2.gz	ANOXMQUCIJSCQD-OAHLLOKOSA-N	-1	0	402.403	2.024	50	0		HEAARM
O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1	ZINC000253623676	569389217	/nfs/dbraw/zinc/38/92/17/569389217.db2.gz	FYAIHNAYWAEEEU-KRWDZBQOSA-N	-1	0	404.430	2.192	50	0		HEAARM
O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)Nc1ccc(S(=O)(=O)[O-])cc1	ZINC000067349713	571081498	/nfs/dbraw/zinc/08/14/98/571081498.db2.gz	HGMVWNOJHSJIAP-UHFFFAOYSA-N	-1	0	423.472	2.255	50	0		HEAARM
CC[C@H]1CCCCN1C(=O)CSc1nc(N)c(NC(=O)c2ccco2)c(=O)[n-]1	ZINC000008584032	571083107	/nfs/dbraw/zinc/08/31/07/571083107.db2.gz	WPBYALHMNOIMKE-NSHDSACASA-N	-1	0	405.480	2.081	50	0		HEAARM
CCn1c2ccccc2n(CCC(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])c1=O	ZINC000008750478	571112143	/nfs/dbraw/zinc/11/21/43/571112143.db2.gz	LKSSZBJLUGOCNR-UHFFFAOYSA-N	-1	0	417.487	2.351	50	0		HEAARM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1O	ZINC000008835890	571123188	/nfs/dbraw/zinc/12/31/88/571123188.db2.gz	TURJZYHTQNJEHS-UHFFFAOYSA-N	-1	0	419.196	2.496	50	0		HEAARM
Cc1[n-]n2c(nc(SCC(=O)N3C[C@@H](C)O[C@H](C)C3)nc2=O)c1-c1ccccc1	ZINC000009107555	571221859	/nfs/dbraw/zinc/22/18/59/571221859.db2.gz	DZVDTRPSAWRWFK-CHWSQXEVSA-N	-1	0	413.503	2.121	50	0		HEAARM
COc1ccc(OC)c(C2=NN(C(=O)/C=C/C(=O)[O-])[C@@]3(C2)C(=O)Nc2ccccc23)c1	ZINC000009134292	571229245	/nfs/dbraw/zinc/22/92/45/571229245.db2.gz	CTOLMDNHACWUCB-DGSRBQDKSA-N	-1	0	421.409	2.129	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1OC	ZINC000009356529	571251347	/nfs/dbraw/zinc/25/13/47/571251347.db2.gz	PFRPPKRYIXFRRV-CQSZACIVSA-N	-1	0	420.487	2.413	50	0		HEAARM
CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)[O-])[C@H]21	ZINC000003798763	364279794	/nfs/dbraw/zinc/27/97/94/364279794.db2.gz	TUZYXOIXSAXUGO-PZAWKZKUSA-N	-1	0	424.534	2.440	50	0	fda	HEAARM
CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3cccc(C(=O)[O-])c3)c2)C1=O	ZINC000041182007	520514140	/nfs/dbraw/zinc/51/41/40/520514140.db2.gz	ZUIFUQJVVQFLLJ-UHFFFAOYSA-N	-1	0	402.428	2.340	50	0		HEAARM
COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnnn1-c1ccc(C(=O)[O-])cc1)C2	ZINC000032096654	523022879	/nfs/dbraw/zinc/02/28/79/523022879.db2.gz	LYKOVBQWCGIWIE-MRXNPFEDSA-N	-1	0	412.427	2.277	50	0		HEAARM
O=C([O-])c1cccc(NC(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2Cl)c1	ZINC000041181989	526391841	/nfs/dbraw/zinc/39/18/41/526391841.db2.gz	NCQTUWFSJQIGSW-UHFFFAOYSA-N	-1	0	408.819	2.357	50	0		HEAARM
NC(=O)NCCC[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)[O-]	ZINC000032092478	526936244	/nfs/dbraw/zinc/93/62/44/526936244.db2.gz	PNDLKJOFMHSTHR-CYBMUJFWSA-N	-1	0	410.883	2.024	50	0		HEAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1COc2ccccc2O1	ZINC000000622513	557019628	/nfs/dbraw/zinc/01/96/28/557019628.db2.gz	OYKFOAVAWYJLKC-QGZVFWFLSA-N	-1	0	412.427	2.056	50	0		HEAARM
CCCc1cnc(N2CCCN(C(=O)[N-]S(=O)(=O)c3ccc(C)cc3)CC2)nc1	ZINC000001048302	557157863	/nfs/dbraw/zinc/15/78/63/557157863.db2.gz	KWZYFFVIARWYKD-UHFFFAOYSA-N	-1	0	417.535	2.348	50	0		HEAARM
CSc1cccc(-n2c3[nH]cnc3c(=O)n(Cc3ccc(C(=O)[O-])cc3)c2=O)c1	ZINC000004344965	557544594	/nfs/dbraw/zinc/54/45/94/557544594.db2.gz	LJDYAMVWCUUJFM-UHFFFAOYSA-N	-1	0	408.439	2.344	50	0		HEAARM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)cc2Cl)n1	ZINC000002804515	557763610	/nfs/dbraw/zinc/76/36/10/557763610.db2.gz	HDAQEKWRDGHHPD-UHFFFAOYSA-N	-1	0	401.279	2.476	50	0		HEAARM
CCc1nc2sc([C@H](c3ccc(F)c(F)c3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022854629	557842115	/nfs/dbraw/zinc/84/21/15/557842115.db2.gz	NMFZMIUWTHKKOO-INIZCTEOSA-N	-1	0	423.489	2.036	50	0		HEAARM
CCOC(=O)N1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1	ZINC000010054982	557854560	/nfs/dbraw/zinc/85/45/60/557854560.db2.gz	KCKSHIQWKQRDLJ-UHFFFAOYSA-N	-1	0	423.516	2.463	50	0		HEAARM
CCOc1ccc(N2C(=O)C[C@@H](N(Cc3ccco3)C(=O)CCC(=O)[O-])C2=O)cc1	ZINC000019771158	558279836	/nfs/dbraw/zinc/27/98/36/558279836.db2.gz	PPIVVBMMHRHXIP-QGZVFWFLSA-N	-1	0	414.414	2.204	50	0		HEAARM
Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	ZINC000012631340	558441841	/nfs/dbraw/zinc/44/18/41/558441841.db2.gz	LRSZUGJOJJMMNE-UHFFFAOYSA-N	-1	0	412.537	2.310	50	0		HEAARM
O=C([O-])CCCCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1	ZINC000012998810	558499698	/nfs/dbraw/zinc/49/96/98/558499698.db2.gz	FZMGGBPTKVCURY-UHFFFAOYSA-N	-1	0	414.499	2.378	50	0		HEAARM
COc1ccc(OC)c(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1	ZINC000013027260	558504847	/nfs/dbraw/zinc/50/48/47/558504847.db2.gz	DTFMAJGTECLGTR-INIZCTEOSA-N	-1	0	404.444	2.159	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C(=O)N1CCCCC1	ZINC000071754835	558909570	/nfs/dbraw/zinc/90/95/70/558909570.db2.gz	ZLRXJFKIZAOLHN-UHFFFAOYSA-N	-1	0	417.487	2.221	50	0		HEAARM
COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1OC	ZINC000033253663	558921938	/nfs/dbraw/zinc/92/19/38/558921938.db2.gz	CFCUHSIFVIVNSO-UHFFFAOYSA-N	-1	0	422.459	2.039	50	0		HEAARM
Cn1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2-c2ccccc2)cc1C(N)=O	ZINC000058377945	558922761	/nfs/dbraw/zinc/92/27/61/558922761.db2.gz	WOVXGXPVRQIHMX-UHFFFAOYSA-N	-1	0	401.492	2.408	50	0		HEAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1	ZINC000004992469	559224983	/nfs/dbraw/zinc/22/49/83/559224983.db2.gz	DWUSSCJDRQGPEF-IAGOWNOFSA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1c(C)cccc1C	ZINC000011858371	559263092	/nfs/dbraw/zinc/26/30/92/559263092.db2.gz	KUGPAXJWZRNDQC-UHFFFAOYSA-N	-1	0	424.500	2.179	50	0		HEAARM
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NCCc2ccc(F)cc2)c1OC	ZINC000002624857	560586097	/nfs/dbraw/zinc/58/60/97/560586097.db2.gz	KXBPQBOUNHKYLH-VMPITWQZSA-N	-1	0	409.435	2.462	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccccc1F	ZINC000101169040	560787671	/nfs/dbraw/zinc/78/76/71/560787671.db2.gz	IXXYABAZZBPDFU-HOTGVXAUSA-N	-1	0	403.320	2.036	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1cc(F)ccc1F	ZINC000101174301	560788002	/nfs/dbraw/zinc/78/80/02/560788002.db2.gz	GBJJQEJONKDELP-HOTGVXAUSA-N	-1	0	403.320	2.036	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(Cl)cc4)c=3c2=O)cc1	ZINC000101416429	560794582	/nfs/dbraw/zinc/79/45/82/560794582.db2.gz	SXYCKERZUGOHDE-DLBZAZTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc1OC	ZINC000101762074	560800422	/nfs/dbraw/zinc/80/04/22/560800422.db2.gz	CLFPNYJIUJNTJW-AWEZNQCLSA-N	-1	0	414.462	2.203	50	0		HEAARM
CCOc1ccccc1[C@@H]1CC(c2c([O-])[nH]c(=O)n(-c3ccccc3C)c2=O)=NN1	ZINC000101762933	560800856	/nfs/dbraw/zinc/80/08/56/560800856.db2.gz	PWTHJFLENMOTIR-HNNXBMFYSA-N	-1	0	406.442	2.377	50	0		HEAARM
COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4cccc(Cl)c4)c3=O)=NN2)cc1	ZINC000101763078	560800868	/nfs/dbraw/zinc/80/08/68/560800868.db2.gz	CMRXBLJGZMBCIN-OAHLLOKOSA-N	-1	0	412.833	2.332	50	0		HEAARM
COc1ccc(C(=O)Nc2ccc(N(C)C[C@@H]3COCCO3)c(C(=O)[O-])c2)cc1	ZINC000046053546	568425360	/nfs/dbraw/zinc/42/53/60/568425360.db2.gz	QYJQCZJLEJQFHB-QGZVFWFLSA-N	-1	0	400.431	2.497	50	0		HEAARM
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1	ZINC000012235993	568455140	/nfs/dbraw/zinc/45/51/40/568455140.db2.gz	UZAQDCANXYVYAH-LBPRGKRZSA-N	-1	0	421.903	2.453	50	0		HEAARM
COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(=O)oc2c1OC	ZINC000012296445	568462709	/nfs/dbraw/zinc/46/27/09/568462709.db2.gz	UDNBOGAVOJUEIM-CYBMUJFWSA-N	-1	0	403.431	2.374	50	0	biogenic	HEAARM
O=C([O-])c1ccn(-c2cccc(NC(=O)c3ccc(=O)n(-c4ccccc4)n3)c2)n1	ZINC000095389887	568604055	/nfs/dbraw/zinc/60/40/55/568604055.db2.gz	POIGMTGKVGOMQK-UHFFFAOYSA-N	-1	0	401.382	2.369	50	0		HEAARM
Cc1ccc(C(=O)NCCNC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1F	ZINC000095406701	568606328	/nfs/dbraw/zinc/60/63/28/568606328.db2.gz	YZJJMZMXLDEVBJ-UHFFFAOYSA-N	-1	0	400.385	2.324	50	0		HEAARM
CC(C)C(=O)Nc1nc(CC(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cs1	ZINC000095453033	568615690	/nfs/dbraw/zinc/61/56/90/568615690.db2.gz	PZQVOLLMLMHUMJ-LLVKDONJSA-N	-1	0	400.501	2.241	50	0		HEAARM
CCOc1ccc(-c2nn3c(nc2=O)-c2ccccc2N2C(=O)CC[C@]23C(=O)[O-])cc1	ZINC000095469524	568625629	/nfs/dbraw/zinc/62/56/29/568625629.db2.gz	FDTSHNLVFJOBDQ-QFIPXVFZSA-N	-1	0	418.409	2.249	50	0		HEAARM
COC(=O)C[C@H](c1cccnc1)c1c([O-])nc2ccc(Br)cn2c1=O	ZINC000096231979	568707763	/nfs/dbraw/zinc/70/77/63/568707763.db2.gz	LXEMVKOKEZCFDT-GFCCVEGCSA-N	-1	0	404.220	2.253	50	0		HEAARM
Cn1c2nc(Nc3ccc(Oc4ccccc4)cc3)n(CC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000012443246	568725077	/nfs/dbraw/zinc/72/50/77/568725077.db2.gz	GJAPQHISWQLTLA-UHFFFAOYSA-N	-1	0	407.386	2.044	50	0		HEAARM
CCc1nc2sc([C@H](c3cccc(C)c3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022578263	568770503	/nfs/dbraw/zinc/77/05/03/568770503.db2.gz	FSOLIEYLQCQZTP-KRWDZBQOSA-N	-1	0	401.536	2.067	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3cccc(F)c3)c(=O)c1=2)Nc1ccccc1Cl	ZINC000002787302	568808959	/nfs/dbraw/zinc/80/89/59/568808959.db2.gz	GWNWEJPOMYQWGR-CVEARBPZSA-N	-1	0	401.785	2.411	50	0		HEAARM
NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000003334689	568882556	/nfs/dbraw/zinc/88/25/56/568882556.db2.gz	QMXDVRPVBLHDQX-UHFFFAOYSA-N	-1	0	403.243	2.436	50	0		HEAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(=O)NCCC(=O)[O-])cc1	ZINC000217709510	568907346	/nfs/dbraw/zinc/90/73/46/568907346.db2.gz	OIMVQOFXSNJXPR-IBGZPJMESA-N	-1	0	400.387	2.189	50	0	biogenic	HEAARM
CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3c4ccccc4CCN3C(C)=O)c2=O)cc1	ZINC000003984822	568931202	/nfs/dbraw/zinc/93/12/02/568931202.db2.gz	FDPXMPHMRKRXDQ-HXUWFJFHSA-N	-1	0	421.453	2.124	50	0	biogenic	HEAARM
CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3cccc(C)c3)c(C(N)=O)n2)c1[O-]	ZINC000004175964	568948602	/nfs/dbraw/zinc/94/86/02/568948602.db2.gz	GLQIFUKRFSSYKX-UHFFFAOYSA-N	-1	0	405.414	2.287	50	0		HEAARM
C[C@H](SCc1ccc(C(=O)[O-])cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1	ZINC000012779030	568956334	/nfs/dbraw/zinc/95/63/34/568956334.db2.gz	NFUIDZMUYLHLBI-ZDUSSCGKSA-N	-1	0	422.528	2.013	50	0		HEAARM
O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1ccc2c(c1)OCCO2	ZINC000004306511	568960562	/nfs/dbraw/zinc/96/05/62/568960562.db2.gz	FPPHEDIGNGODDN-UHFFFAOYSA-N	-1	0	405.457	2.300	50	0		HEAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N(C)C)cc1	ZINC000006354795	569045183	/nfs/dbraw/zinc/04/51/83/569045183.db2.gz	HOIDRQBRJAPDTM-UHFFFAOYSA-N	-1	0	406.460	2.131	50	0		HEAARM
COc1ccc(CN(C)S(=O)(=O)c2ccsc2C(=O)[O-])c(OC)c1OC	ZINC000013011945	569050475	/nfs/dbraw/zinc/05/04/75/569050475.db2.gz	MZJWNIFPIUWGDF-UHFFFAOYSA-N	-1	0	401.462	2.293	50	0		HEAARM
C[C@@H]1CN2c3ccccc3C[C@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2[C@@H](C)O1	ZINC000247989875	569057615	/nfs/dbraw/zinc/05/76/15/569057615.db2.gz	AAXHHKHQORLYBE-NSQWWGABSA-N	-1	0	405.454	2.494	50	0		HEAARM
COc1ccc(CCC(=O)[N-]S(=O)(=O)c2cncc(Br)c2)cc1F	ZINC000089457586	569060650	/nfs/dbraw/zinc/06/06/50/569060650.db2.gz	PELXUHSIPIREOJ-UHFFFAOYSA-N	-1	0	417.256	2.430	50	0		HEAARM
COc1cc(CNC(C)=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc(OC)c1	ZINC000006561951	569066082	/nfs/dbraw/zinc/06/60/82/569066082.db2.gz	HBSGQLQSPOWYCV-AQTBWJFISA-N	-1	0	401.463	2.479	50	0		HEAARM
CCOC(=O)c1oc2ccccc2c1CN1[N-]S(=O)(=O)c2ccccc2C1=O	ZINC000006602005	569069801	/nfs/dbraw/zinc/06/98/01/569069801.db2.gz	XEPJCKZUHOMUEB-UHFFFAOYSA-N	-1	0	400.412	2.459	50	0		HEAARM
COc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1S(N)(=O)=O	ZINC000006623388	569075077	/nfs/dbraw/zinc/07/50/77/569075077.db2.gz	QMZIOFAKXTVLCE-UHFFFAOYSA-N	-1	0	411.288	2.450	50	0		HEAARM
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N1CCn2c3ccccc3nc21)C(C)C)C(=O)[O-]	ZINC000006624057	569075449	/nfs/dbraw/zinc/07/54/49/569075449.db2.gz	WARARBSDTNAOQD-RDJZCZTQSA-N	-1	0	415.494	2.206	50	0	biogenic	HEAARM
COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)c1	ZINC000006770377	569116209	/nfs/dbraw/zinc/11/62/09/569116209.db2.gz	MYMBCQBDNXPZPV-ZWKOTPCHSA-N	-1	0	408.414	2.284	50	0		HEAARM
C[C@@H](C(=O)[O-])N1C(=O)/C(=C2\C(=O)Nc3ccc(Br)cc32)SC1=S	ZINC000001748993	569145337	/nfs/dbraw/zinc/14/53/37/569145337.db2.gz	PENCVLQJAJOEOA-MNEMZKOVSA-N	-1	0	413.274	2.446	50	0		HEAARM
CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036353072	569147529	/nfs/dbraw/zinc/14/75/29/569147529.db2.gz	MFNUHOBJGVBTAB-QGZVFWFLSA-N	-1	0	424.295	2.252	50	0		HEAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CCc3ccccn3)CC2)c2ccccc21	ZINC000036353645	569147806	/nfs/dbraw/zinc/14/78/06/569147806.db2.gz	INUSZXOHIDHFFG-QFIPXVFZSA-N	-1	0	422.485	2.107	50	0		HEAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(Cc3ccncc3)CC2)c2ccccc21	ZINC000036358601	569150166	/nfs/dbraw/zinc/15/01/66/569150166.db2.gz	RLQNQKXPWIZCSU-NRFANRHFSA-N	-1	0	408.458	2.064	50	0		HEAARM
Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(Cc3cccnc3)CC2)c2ccc(C(=O)[O-])cc21	ZINC000036365235	569152138	/nfs/dbraw/zinc/15/21/38/569152138.db2.gz	PEOIBYQKPLKOLN-HXUWFJFHSA-N	-1	0	408.458	2.215	50	0		HEAARM
O=C(NCc1ccc2c(c1)OCO2)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-]	ZINC000065249875	569205931	/nfs/dbraw/zinc/20/59/31/569205931.db2.gz	WABIJRGSNDQUPA-UHFFFAOYSA-N	-1	0	418.409	2.137	50	0		HEAARM
COc1ccc(N2C(=O)C(C)(C)CS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000013692017	569257239	/nfs/dbraw/zinc/25/72/39/569257239.db2.gz	IZNPEMUMMHMYOJ-UHFFFAOYSA-N	-1	0	424.500	2.199	50	0		HEAARM
Cc1nc(S(=O)(=O)[N-]c2cccnc2N2C(=O)O[C@H](C(F)(F)F)[C@@H]2C)cn1C	ZINC000089709024	569263009	/nfs/dbraw/zinc/26/30/09/569263009.db2.gz	OOQJTMSOGPVBRS-UFBFGSQYSA-N	-1	0	419.385	2.200	50	0		HEAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCc1ccccc1OC)c2=O	ZINC000016842114	569264635	/nfs/dbraw/zinc/26/46/35/569264635.db2.gz	KDWKDRRGFAFBGJ-UHFFFAOYSA-N	-1	0	413.455	2.171	50	0		HEAARM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(F)c(F)cc1Br	ZINC000089984899	569271024	/nfs/dbraw/zinc/27/10/24/569271024.db2.gz	OLUSOGUEHRDWQM-UHFFFAOYSA-N	-1	0	410.196	2.428	50	0		HEAARM
CC(C)[C@@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-]	ZINC000004090396	569321417	/nfs/dbraw/zinc/32/14/17/569321417.db2.gz	QKEGZGRWAZVUOL-PKOBYXMFSA-N	-1	0	415.490	2.161	50	0	biogenic	HEAARM
NC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000253414644	569366951	/nfs/dbraw/zinc/36/69/51/569366951.db2.gz	YBPKCGYAHPIERK-MRXNPFEDSA-N	-1	0	400.431	2.037	50	0	biogenic	HEAARM
O=C([O-])C1CCC(CNC(=O)CCCCCn2nnc3ccccc3c2=O)CC1	ZINC000002327071	569375477	/nfs/dbraw/zinc/37/54/77/569375477.db2.gz	MLIZFVQPXTUETI-UHFFFAOYSA-N	-1	0	400.479	2.359	50	0		HEAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2)Nc1cccc(F)c1	ZINC000018162406	569385101	/nfs/dbraw/zinc/38/51/01/569385101.db2.gz	XTGYYZWLJJFELT-JKSUJKDBSA-N	-1	0	401.785	2.411	50	0		HEAARM
O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1nnc(SCC(=O)c2ccccc2)s1	ZINC000002366638	569388211	/nfs/dbraw/zinc/38/82/11/569388211.db2.gz	RFMLWZZKVCEADG-JTQLQIEISA-N	-1	0	408.486	2.193	50	0		HEAARM
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NC3(C(=O)[O-])CCCCC3)cc2)C[C@H](C)O1	ZINC000012979770	569405836	/nfs/dbraw/zinc/40/58/36/569405836.db2.gz	CJVPGVFMFOHRFC-GJZGRUSLSA-N	-1	0	424.519	2.002	50	0		HEAARM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc2c1OCCO2	ZINC000079020507	569424274	/nfs/dbraw/zinc/42/42/74/569424274.db2.gz	SFMHSMZXPSNZKL-UHFFFAOYSA-N	-1	0	418.427	2.084	50	0		HEAARM
O=C(CCCCCn1nnc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000238901753	571046664	/nfs/dbraw/zinc/04/66/64/571046664.db2.gz	MLIZFVQPXTUETI-WKILWMFISA-N	-1	0	400.479	2.359	50	0		HEAARM
Cc1sc2[nH]c(COC(=O)c3ccccc3[N-]S(C)(=O)=O)nc(=O)c2c1C	ZINC000008483296	571055037	/nfs/dbraw/zinc/05/50/37/571055037.db2.gz	IWNVBYZJLBRTBH-UHFFFAOYSA-N	-1	0	407.473	2.330	50	0		HEAARM
COc1ccc(NC(=O)CSc2sc3c([nH]c(=O)cc3[O-])c2C(N)=O)cc1	ZINC000040266680	571212990	/nfs/dbraw/zinc/21/29/90/571212990.db2.gz	RWPLXMOACCJJGN-UHFFFAOYSA-N	-1	0	405.457	2.134	50	0		HEAARM
CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1C(=O)[O-]	ZINC000069510534	571228712	/nfs/dbraw/zinc/22/87/12/571228712.db2.gz	IOSYPWLGJUWUGL-UHFFFAOYSA-N	-1	0	404.444	2.477	50	0		HEAARM
Cc1cc(=O)n2nc(CC(=O)N3CCC(c4nc5ccccc5s4)CC3)[n-]c2n1	ZINC000009306256	571246747	/nfs/dbraw/zinc/24/67/47/571246747.db2.gz	ALFRQAZGDWTQQC-UHFFFAOYSA-N	-1	0	408.487	2.284	50	0		HEAARM
Cc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1F	ZINC000009675175	571278862	/nfs/dbraw/zinc/27/88/62/571278862.db2.gz	IOYFDTFIIJHGHW-IAGOWNOFSA-N	-1	0	417.347	2.344	50	0		HEAARM
COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2C(=O)N2CCCC2)cc1	ZINC000009684314	571279319	/nfs/dbraw/zinc/27/93/19/571279319.db2.gz	HGDJERBXAWLNCG-UHFFFAOYSA-N	-1	0	405.476	2.455	50	0		HEAARM
CSCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)C(=O)[O-]	ZINC000009885220	571289475	/nfs/dbraw/zinc/28/94/75/571289475.db2.gz	HWIIJQRDJIENOP-MRXNPFEDSA-N	-1	0	414.549	2.187	50	0		HEAARM
CC1(C)CS(=O)(=O)N(c2cccc(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)c2)C1=O	ZINC000041182011	520513649	/nfs/dbraw/zinc/51/36/49/520513649.db2.gz	KJDVYGSGYJFYKA-UHFFFAOYSA-N	-1	0	418.427	2.045	50	0		HEAARM
COc1c(Cl)cc(C(=O)[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)cc1Cl	ZINC000042312982	521836914	/nfs/dbraw/zinc/83/69/14/521836914.db2.gz	JFFZHAGRUKLALW-UHFFFAOYSA-N	-1	0	403.243	2.220	50	0		HEAARM
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000032080872	524993899	/nfs/dbraw/zinc/99/38/99/524993899.db2.gz	ABXLGNFWBSSVML-ZFWWWQNUSA-N	-1	0	400.456	2.264	50	0		HEAARM
COc1ccc(S(=O)(=O)[N-]c2c3c(c(OC)c4c2CCN(C)C4)OCO3)cc1	ZINC000032124543	525077823	/nfs/dbraw/zinc/07/78/23/525077823.db2.gz	NUTMBKAQXDYUDS-UHFFFAOYSA-N	-1	0	406.460	2.221	50	0	biogenic	HEAARM
C[C@]1(c2ccc([N-]S(=O)(=O)c3ccccc3Br)cc2)NC(=O)NC1=O	ZINC000032818935	525318359	/nfs/dbraw/zinc/31/83/59/525318359.db2.gz	YGWCVASCMSAPSF-MRXNPFEDSA-N	-1	0	424.276	2.305	50	0		HEAARM
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1	ZINC000032080870	525536311	/nfs/dbraw/zinc/53/63/11/525536311.db2.gz	ABXLGNFWBSSVML-HIFRSBDPSA-N	-1	0	400.456	2.264	50	0		HEAARM
O=C([O-])c1cc(NC(=O)c2ccc(Cl)c(N3C(=O)CCS3(=O)=O)c2)ccc1O	ZINC000041181985	526351420	/nfs/dbraw/zinc/35/14/20/526351420.db2.gz	NAMXGICLUHVZGJ-UHFFFAOYSA-N	-1	0	424.818	2.063	50	0		HEAARM
O=C([O-])c1cccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2Cl)c1	ZINC000020272597	526392169	/nfs/dbraw/zinc/39/21/69/526392169.db2.gz	HPIBEDSDODENGA-UHFFFAOYSA-N	-1	0	408.819	2.357	50	0		HEAARM
NC(=O)c1c(SCC(=O)NCc2ccccc2Cl)sc2c1[nH]c(=O)cc2[O-]	ZINC000040285284	527020271	/nfs/dbraw/zinc/02/02/71/527020271.db2.gz	DSKQYLSKSCXYQE-UHFFFAOYSA-N	-1	0	423.903	2.456	50	0		HEAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(c3ccccn3)CC2)c2ccc(F)cc21	ZINC000040288560	527641890	/nfs/dbraw/zinc/64/18/90/527641890.db2.gz	QBTWDKPVQBBLQL-FQEVSTJZSA-N	-1	0	412.421	2.208	50	0		HEAARM
O=C([O-])[C@@H](CCCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	ZINC000001677652	557280034	/nfs/dbraw/zinc/28/00/34/557280034.db2.gz	PLZBWTXYTSGCKV-QGZVFWFLSA-N	-1	0	406.394	2.202	50	0		HEAARM
COc1cc(NC(=O)CSc2nnnn2-c2ccccc2)c(C(=O)[O-])cc1OC	ZINC000002802152	557391200	/nfs/dbraw/zinc/39/12/00/557391200.db2.gz	NZIQXTWFSMYAEZ-UHFFFAOYSA-N	-1	0	415.431	2.109	50	0		HEAARM
CCOc1ccc(CNC(=S)N[N-]S(=O)(=O)c2ccc(OCC)cc2)cc1	ZINC000002891762	557423812	/nfs/dbraw/zinc/42/38/12/557423812.db2.gz	NRUCHRZCTQHVEV-UHFFFAOYSA-N	-1	0	409.533	2.342	50	0		HEAARM
O=C(CCc1nnc(-c2ccc3c(c2)OCO3)[n-]c1=O)N1CCc2ccccc2C1	ZINC000034768039	557463039	/nfs/dbraw/zinc/46/30/39/557463039.db2.gz	UHQGIMCZFVKWNN-UHFFFAOYSA-N	-1	0	404.426	2.490	50	0		HEAARM
O=C([O-])[C@H](Cc1c[nH]cn1)N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21	ZINC000004134917	557518576	/nfs/dbraw/zinc/51/85/76/557518576.db2.gz	UCTABLVRAKRRDT-BEQLGVGBSA-N	-1	0	413.433	2.298	50	0		HEAARM
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000004321886	557540847	/nfs/dbraw/zinc/54/08/47/557540847.db2.gz	YPLGNDYBRBVBCT-RTBURBONSA-N	-1	0	414.458	2.455	50	0		HEAARM
O=C([O-])Cn1c(Cn2c(CN3CCOCC3)nc3ccccc32)nc2ccccc21	ZINC000007467314	557742118	/nfs/dbraw/zinc/74/21/18/557742118.db2.gz	WVXDIWWOPOTRMO-UHFFFAOYSA-N	-1	0	405.458	2.351	50	0		HEAARM
CCn1ncc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(=O)Nc1cnn(C)c1C	ZINC000002809599	557767700	/nfs/dbraw/zinc/76/77/00/557767700.db2.gz	DGLIKVRSYUSBIE-QWHCGFSZSA-N	-1	0	402.455	2.027	50	0		HEAARM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21	ZINC000009212658	557829568	/nfs/dbraw/zinc/82/95/68/557829568.db2.gz	HDACQVRGBOVJII-UVBQOVKKSA-N	-1	0	416.518	2.383	50	0		HEAARM
CC(=O)N1c2ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c3ccccc3)cc2C[C@@H]1C	ZINC000013460151	558263846	/nfs/dbraw/zinc/26/38/46/558263846.db2.gz	UYLLRZONOQHQGE-SCLBCKFNSA-N	-1	0	402.472	2.478	50	0		HEAARM
COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccc(C)cc3C)c1=O)NCC2	ZINC000020533248	558384628	/nfs/dbraw/zinc/38/46/28/558384628.db2.gz	SHSOUYZVUUPBJJ-FQEVSTJZSA-N	-1	0	423.469	2.101	50	0		HEAARM
NC(=O)[C@H]1CCCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)C1	ZINC000021363974	558437379	/nfs/dbraw/zinc/43/73/79/558437379.db2.gz	KYUHLPYYTDKWBI-AWEZNQCLSA-N	-1	0	411.487	2.132	50	0		HEAARM
CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c2ccccc2O1	ZINC000013077018	558512348	/nfs/dbraw/zinc/51/23/48/558512348.db2.gz	UPMXPOWTGDRDIO-KRWDZBQOSA-N	-1	0	422.434	2.006	50	0		HEAARM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)ccc1F	ZINC000013262164	558528206	/nfs/dbraw/zinc/52/82/06/558528206.db2.gz	MGHSYFHUFPPTKA-UHFFFAOYSA-N	-1	0	409.363	2.321	50	0		HEAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(C)cc(C)c4)c=3c2=O)cc1	ZINC000004483310	558602871	/nfs/dbraw/zinc/60/28/71/558602871.db2.gz	OAFSITVQLFRLMJ-OALUTQOASA-N	-1	0	407.430	2.244	50	0		HEAARM
COc1ccc(C)cc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2	ZINC000004483382	558602962	/nfs/dbraw/zinc/60/29/62/558602962.db2.gz	WOYULJCIKSXXKA-MSOLQXFVSA-N	-1	0	411.393	2.075	50	0		HEAARM
CCc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2	ZINC000004484009	558603261	/nfs/dbraw/zinc/60/32/61/558603261.db2.gz	MRFKEYXVYQGCCO-QZTJIDSGSA-N	-1	0	413.384	2.459	50	0		HEAARM
CCc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1	ZINC000004484049	558603390	/nfs/dbraw/zinc/60/33/90/558603390.db2.gz	NKLGIGMVMOMDQC-QZTJIDSGSA-N	-1	0	413.384	2.459	50	0		HEAARM
CCNC(=O)CN(CC)C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000030606157	558733932	/nfs/dbraw/zinc/73/39/32/558733932.db2.gz	RGPKCUFDBKSNHK-UHFFFAOYSA-N	-1	0	409.533	2.076	50	0		HEAARM
CSc1nn2c(nc(C(F)(F)F)cc2C(F)(F)F)c1C(=O)NCC(=O)[O-]	ZINC000036049458	558797160	/nfs/dbraw/zinc/79/71/60/558797160.db2.gz	NCSZTSDVISWTLA-UHFFFAOYSA-N	-1	0	402.276	2.303	50	0		HEAARM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)ccc1OC	ZINC000016650489	558797936	/nfs/dbraw/zinc/79/79/36/558797936.db2.gz	BIYVQYXGRAQXCL-UHFFFAOYSA-N	-1	0	417.487	2.092	50	0		HEAARM
Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])CC2)c1	ZINC000017088027	558816897	/nfs/dbraw/zinc/81/68/97/558816897.db2.gz	YUCXJZUNYMRLPQ-IAGOWNOFSA-N	-1	0	408.520	2.027	50	0		HEAARM
O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1	ZINC000001187270	558836573	/nfs/dbraw/zinc/83/65/73/558836573.db2.gz	SLMLGEVIYAMSCR-LICLKQGHSA-N	-1	0	417.352	2.431	50	0		HEAARM
O=S(=O)([N-]c1ccccc1OCc1cscn1)c1cccc(-n2cnnn2)c1	ZINC000058162153	558906153	/nfs/dbraw/zinc/90/61/53/558906153.db2.gz	MTCXIUZMGCATAN-UHFFFAOYSA-N	-1	0	414.472	2.499	50	0		HEAARM
CC(C)Cn1c(N)c(-c2csc(-c3cccc(C(=O)[O-])c3)n2)c(=O)n(C)c1=O	ZINC000058474317	558928244	/nfs/dbraw/zinc/92/82/44/558928244.db2.gz	BRPCKSYJPOMALB-UHFFFAOYSA-N	-1	0	400.460	2.274	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@@H](C)OC(C)C)CC3)no1	ZINC000077428034	559004920	/nfs/dbraw/zinc/00/49/20/559004920.db2.gz	PPHRTWVPCXFEAF-CQSZACIVSA-N	-1	0	407.492	2.482	50	0		HEAARM
Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)[C@H](C)OC(C)C)CC3)no1	ZINC000077428039	559005027	/nfs/dbraw/zinc/00/50/27/559005027.db2.gz	PPHRTWVPCXFEAF-AWEZNQCLSA-N	-1	0	407.492	2.482	50	0		HEAARM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC(O)CC2)cc1OC	ZINC000023157086	559022058	/nfs/dbraw/zinc/02/20/58/559022058.db2.gz	NCTQIXGQTVJHEG-INIZCTEOSA-N	-1	0	404.492	2.368	50	0		HEAARM
CSc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000100028389	559128752	/nfs/dbraw/zinc/12/87/52/559128752.db2.gz	AEHFUSUKUVVNSP-DLBZAZTESA-N	-1	0	413.434	2.480	50	0		HEAARM
CCc1nc2ccccc2c(=O)n1NC(=O)c1c([O-])c2ccccc2n(CC)c1=O	ZINC000100551404	559136373	/nfs/dbraw/zinc/13/63/73/559136373.db2.gz	LJFRLMPOJDPLDI-UHFFFAOYSA-N	-1	0	404.426	2.383	50	0		HEAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2nsnc21	ZINC000002324876	560559678	/nfs/dbraw/zinc/55/96/78/560559678.db2.gz	RCAUBCUODPQDRV-CQSZACIVSA-N	-1	0	402.457	2.147	50	0		HEAARM
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000100909596	560762472	/nfs/dbraw/zinc/76/24/72/560762472.db2.gz	ASMIFBZETFUJDX-RDJZCZTQSA-N	-1	0	413.817	2.256	50	0		HEAARM
CCOc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(C)cc4)c=3c2=O)cc1	ZINC000101166304	560787428	/nfs/dbraw/zinc/78/74/28/560787428.db2.gz	PZXVJEZOCFYRKE-RBUKOAKNSA-N	-1	0	407.430	2.326	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1	ZINC000101387127	560793923	/nfs/dbraw/zinc/79/39/23/560793923.db2.gz	VFVUSHZNFRDCSW-DLBZAZTESA-N	-1	0	413.821	2.281	50	0		HEAARM
COC(=O)c1ccc(OC)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1	ZINC000101417676	560794779	/nfs/dbraw/zinc/79/47/79/560794779.db2.gz	XOUVBDXMTHMARP-IRXDYDNUSA-N	-1	0	412.377	2.114	50	0		HEAARM
CCC(=O)N1N=C(c2c([O-])[nH]c(=S)n(C)c2=O)C[C@@H]1c1ccc(OC)cc1OC	ZINC000101495157	560796232	/nfs/dbraw/zinc/79/62/32/560796232.db2.gz	CEQVXSMBBMXUEN-CYBMUJFWSA-N	-1	0	418.475	2.253	50	0		HEAARM
COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccc(Cl)cc4)c3=O)=NN2)cc1	ZINC000101762599	560800782	/nfs/dbraw/zinc/80/07/82/560800782.db2.gz	FPFWYIFTUPKMOO-OAHLLOKOSA-N	-1	0	412.833	2.332	50	0		HEAARM
O=c1[nH]c([O-])c(C2=NN[C@H](c3ccc(F)cc3)C2)c(=O)n1-c1cccc(Cl)c1	ZINC000101763242	560801063	/nfs/dbraw/zinc/80/10/63/560801063.db2.gz	VBBDGSWCLOFTNP-AWEZNQCLSA-N	-1	0	400.797	2.463	50	0		HEAARM
COc1cc(OC)cc(C(=O)Nn2c(=O)c3c(C)c(C(=O)[O-])sc3[nH]c2=S)c1	ZINC000102236238	560808905	/nfs/dbraw/zinc/80/89/05/560808905.db2.gz	HRWPDNHIUKJOFW-UHFFFAOYSA-N	-1	0	421.456	2.154	50	0		HEAARM
CC(C)Cn1nc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c2ccccc2c1=O	ZINC000095377547	568603318	/nfs/dbraw/zinc/60/33/18/568603318.db2.gz	YDBUTKCOFNJWDU-UHFFFAOYSA-N	-1	0	422.441	2.119	50	0		HEAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CCc3ccncc3)CC2)c2ccccc21	ZINC000095481255	568633703	/nfs/dbraw/zinc/63/37/03/568633703.db2.gz	HXYWJUVAUUZMLP-JOCHJYFZSA-N	-1	0	422.485	2.107	50	0		HEAARM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)CCC(=O)c2ccccc2)c1F	ZINC000225689318	568664651	/nfs/dbraw/zinc/66/46/51/568664651.db2.gz	SJCVRHPNOAMUDH-UHFFFAOYSA-N	-1	0	411.382	2.219	50	0		HEAARM
O=C(Cc1ccc(I)cc1)[N-]S(=O)(=O)c1cccs1	ZINC000225692483	568664897	/nfs/dbraw/zinc/66/48/97/568664897.db2.gz	NMFGYBYTZHRSIY-UHFFFAOYSA-N	-1	0	407.254	2.400	50	0		HEAARM
O=C([O-])CC1(NC(=O)c2cn(-c3ccc(Br)cc3)cn2)CCOCC1	ZINC000095989450	568677361	/nfs/dbraw/zinc/67/73/61/568677361.db2.gz	UISONMLIORCBTM-UHFFFAOYSA-N	-1	0	408.252	2.389	50	0		HEAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1	ZINC000096286306	568719134	/nfs/dbraw/zinc/71/91/34/568719134.db2.gz	IJLOHBORACZXQN-IRXDYDNUSA-N	-1	0	413.821	2.281	50	0		HEAARM
Cn1c2nc(Nc3ccc(Oc4ccccc4)cc3)n(CC(=O)[O-])c2c(=O)n(C)c1=O	ZINC000012443260	568725116	/nfs/dbraw/zinc/72/51/16/568725116.db2.gz	DRKAXAPMGMYZOP-UHFFFAOYSA-N	-1	0	421.413	2.054	50	0		HEAARM
CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]C(=O)c1cc(N(C)C)nc2ccccc21	ZINC000241317040	568731071	/nfs/dbraw/zinc/73/10/71/568731071.db2.gz	LXHCXQJDFCTNMY-INIZCTEOSA-N	-1	0	407.492	2.092	50	0		HEAARM
O=C([O-])CCC(=O)N(CCc1ccccc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O	ZINC000002490946	568775843	/nfs/dbraw/zinc/77/58/43/568775843.db2.gz	AYIFVSYFSZZSMS-GOSISDBHSA-N	-1	0	412.417	2.394	50	0		HEAARM
O=C([O-])[C@@H]1CCCN1C(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O	ZINC000004090564	568942051	/nfs/dbraw/zinc/94/20/51/568942051.db2.gz	PNARHJLMOIEDMU-ROUUACIJSA-N	-1	0	413.474	2.012	50	0	biogenic	HEAARM
COC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccccc3OC)c(=O)c1-2	ZINC000004281914	568959014	/nfs/dbraw/zinc/95/90/14/568959014.db2.gz	ASMIFBZETFUJDX-NVXWUHKLSA-N	-1	0	413.817	2.256	50	0		HEAARM
CN(C)S(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])ccc1Cl	ZINC000008313878	568989420	/nfs/dbraw/zinc/98/94/20/568989420.db2.gz	CYJKUTREIMBXCX-OAHLLOKOSA-N	-1	0	410.879	2.016	50	0		HEAARM
Cc1ccc(S(=O)(=O)N[C@@H](CCCNC(=O)OCc2ccccc2)C(=O)[O-])cc1	ZINC000003874485	569012513	/nfs/dbraw/zinc/01/25/13/569012513.db2.gz	OZSAGZLRQMVNHG-SFHVURJKSA-N	-1	0	420.487	2.433	50	0		HEAARM
O=C([O-])CNC(=O)/C(=C\c1ccccc1)NC(=O)c1cccc(Br)c1	ZINC000035262955	569015701	/nfs/dbraw/zinc/01/57/01/569015701.db2.gz	UECLACZFGKPWIF-OQLLNIDSSA-N	-1	0	403.232	2.421	50	0		HEAARM
CCn1cc(-c2noc(C[N-]S(=O)(=O)c3ccc(Br)s3)n2)cn1	ZINC000575414301	569025123	/nfs/dbraw/zinc/02/51/23/569025123.db2.gz	CUTGQMOGCXVDIK-UHFFFAOYSA-N	-1	0	418.298	2.256	50	0		HEAARM
CC1=C(C)C[C@@H](C(=O)Nc2cn(C)nc2C(=O)NCc2ccco2)[C@H](C(=O)[O-])C1	ZINC000006393562	569046496	/nfs/dbraw/zinc/04/64/96/569046496.db2.gz	SFFCNOGGECLVON-HUUCEWRRSA-N	-1	0	400.435	2.329	50	0		HEAARM
CC(C)NC(=O)Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1	ZINC000027052779	569072195	/nfs/dbraw/zinc/07/21/95/569072195.db2.gz	PPJFLFPOMNHWIF-GOSISDBHSA-N	-1	0	409.442	2.196	50	0		HEAARM
Cn1cc(C(=O)[N-]S(=O)(=O)Nc2ccc(Br)cn2)c2ccccc21	ZINC000006672676	569087221	/nfs/dbraw/zinc/08/72/21/569087221.db2.gz	XMYBBGVZZNWHHE-UHFFFAOYSA-N	-1	0	409.265	2.423	50	0		HEAARM
Cc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NC45CC6CC(CC(C6)C4)C5)c=3c2=O)cc1	ZINC000006788411	569122485	/nfs/dbraw/zinc/12/24/85/569122485.db2.gz	SQICYISCEOMYRG-ZSEMMOBPSA-N	-1	0	421.501	2.373	50	0		HEAARM
Cn1cc([C@@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2cc(C(=O)[O-])ccc21	ZINC000036358994	569150388	/nfs/dbraw/zinc/15/03/88/569150388.db2.gz	BLYXRFRAYXNUNL-SFHVURJKSA-N	-1	0	409.446	2.005	50	0		HEAARM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc3n(c2)CCCN(CC)C3=O)cc1	ZINC000065258753	569210484	/nfs/dbraw/zinc/21/04/84/569210484.db2.gz	SWAUPLROVWDEPX-UHFFFAOYSA-N	-1	0	405.476	2.331	50	0		HEAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc(=O)[nH]c2ccccc21	ZINC000089866617	569267461	/nfs/dbraw/zinc/26/74/61/569267461.db2.gz	YNWNHJKCKJGXBT-UHFFFAOYSA-N	-1	0	421.438	2.371	50	0		HEAARM
CCN(CC)C(=O)c1sc(NC(=O)COCC(=O)[O-])c(C(=O)OC(C)C)c1C	ZINC000017089846	569274748	/nfs/dbraw/zinc/27/47/48/569274748.db2.gz	NBLHNKOZFPHHPR-UHFFFAOYSA-N	-1	0	414.480	2.143	50	0		HEAARM
CCc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)cc1	ZINC000002144762	569289577	/nfs/dbraw/zinc/28/95/77/569289577.db2.gz	WKDIUKSBTUUMNA-KRWDZBQOSA-N	-1	0	424.409	2.071	50	0	biogenic	HEAARM
COc1cc([N-]S(=O)(=O)c2c(C)nc3sc(C)c(C)n3c2=O)cc(OC)c1	ZINC000008589394	571084886	/nfs/dbraw/zinc/08/48/86/571084886.db2.gz	QZMBJWSPKJJWAL-UHFFFAOYSA-N	-1	0	409.489	2.499	50	0		HEAARM
Cc1c(C(=O)[O-])sc2nc(C)nc(NCCc3ccc(S(N)(=O)=O)cc3)c12	ZINC000008718254	571105742	/nfs/dbraw/zinc/10/57/42/571105742.db2.gz	XKDJDDWCVOGOLV-UHFFFAOYSA-N	-1	0	406.489	2.308	50	0		HEAARM
CC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008971994	571197502	/nfs/dbraw/zinc/19/75/02/571197502.db2.gz	MYDLBGZFEPQYJJ-QZTJIDSGSA-N	-1	0	409.442	2.111	50	0	biogenic	HEAARM
O=C([O-])C1CCN(C(=O)[C@@H](Cc2ccccc2)n2c(=O)[nH]c3ccccc3c2=O)CC1	ZINC000009044921	571215450	/nfs/dbraw/zinc/21/54/50/571215450.db2.gz	ZVAFDHZEDQCTPG-LJQANCHMSA-N	-1	0	421.453	2.209	50	0		HEAARM
CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-]	ZINC000071328783	571292631	/nfs/dbraw/zinc/29/26/31/571292631.db2.gz	VBUROAZMUCPPDO-GTNSWQLSSA-N	-1	0	422.279	2.288	50	0		HEAARM