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(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ccccn2)CC1	ZINC000002966825	132259683	/nfs/dbraw/zinc/25/96/83/132259683.db2.gz	WRSGSFVDJRVKAI-KRWDZBQOSA-N	-1	0	434.525	1.878	50	0		IDAARM
CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(OC)cc1)C[C@H](C(=O)[O-])O2	ZINC000008685920	132290537	/nfs/dbraw/zinc/29/05/37/132290537.db2.gz	LHQNYVAYHIMIJV-QGZVFWFLSA-N	-1	0	441.483	1.530	50	0		IDAARM
CC(C)C[C@@H](NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000012296162	519244536	/nfs/dbraw/zinc/24/45/36/519244536.db2.gz	DAIGAFPLDLTFCH-HZPDHXFCSA-N	-1	0	433.461	1.046	50	0	biogenic	IDAARM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	ZINC000012865799	521968042	/nfs/dbraw/zinc/96/80/42/521968042.db2.gz	NXADUFFZUKDORH-XRGAULLZSA-N	-1	0	443.541	1.115	50	0	biogenic	IDAARM
CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022854635	522535346	/nfs/dbraw/zinc/53/53/46/522535346.db2.gz	KXRGIUDKKFNXFE-GOSISDBHSA-N	-1	0	447.561	1.775	50	0		IDAARM
COCCCNC(=O)CN1CCN(c2ccc(NC(=O)C3CCC3)c(C(=O)[O-])c2)CC1	ZINC000035482712	523324246	/nfs/dbraw/zinc/32/42/46/523324246.db2.gz	GZEDJZGGZXYMHQ-UHFFFAOYSA-N	-1	0	432.521	1.398	50	0		IDAARM
C[C@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H](C)O1	ZINC000012521240	524543148	/nfs/dbraw/zinc/54/31/48/524543148.db2.gz	BFGXWDGSPYATPS-STQMWFEESA-N	-1	0	430.486	1.906	50	0		IDAARM
CSC[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)[O-]	ZINC000012865055	525702291	/nfs/dbraw/zinc/70/22/91/525702291.db2.gz	DKNPNYAQUVTUBR-GJZGRUSLSA-N	-1	0	445.582	1.707	50	0	biogenic	IDAARM
Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Br)cc2)c(=O)n3C)n1CC(=O)[O-]	ZINC000012558759	525943657	/nfs/dbraw/zinc/94/36/57/525943657.db2.gz	BMNFNGGKIGGARC-UHFFFAOYSA-N	-1	0	446.261	1.353	50	0		IDAARM
O=C([O-])c1ccc(N2C(=O)C[C@@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1	ZINC000022780562	526373566	/nfs/dbraw/zinc/37/35/66/526373566.db2.gz	ZDKJHAGENDGFJN-GOSISDBHSA-N	-1	0	437.452	1.563	50	0		IDAARM
O=S(=O)([N-]c1ccn(-c2ccccc2)n1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012771903	527254714	/nfs/dbraw/zinc/25/47/14/527254714.db2.gz	INUIJLONLNFAFP-UHFFFAOYSA-N	-1	0	448.526	1.694	50	0		IDAARM
O=c1[nH]c2nc(-c3ccc(Cl)cc3)c(-c3c(=O)[nH]c(=O)[nH]c3-n3cccc3)c-2c([O-])[nH]1	ZINC000020896800	527441884	/nfs/dbraw/zinc/44/18/84/527441884.db2.gz	WOPJURWSNIHCMM-UHFFFAOYSA-N	-1	0	436.815	1.699	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccco3)[C@@H]2C1=O	ZINC000245236685	527608389	/nfs/dbraw/zinc/60/83/89/527608389.db2.gz	VEAZGPPZOQXRGA-AVMDWVFKSA-N	-1	0	432.479	1.587	50	0		IDAARM
O=C([O-])CSCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1	ZINC000001029247	555605396	/nfs/dbraw/zinc/60/53/96/555605396.db2.gz	MWGCRPXHFMUXKC-UHFFFAOYSA-N	-1	0	427.331	1.644	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccnc3)cc2)nn1	ZINC000002409377	555776696	/nfs/dbraw/zinc/77/66/96/555776696.db2.gz	MZPUELKLHCBJKX-UHFFFAOYSA-N	-1	0	444.498	1.808	50	0		IDAARM
CCOC(=O)COc1c(I)cc(/C=C2\NC(=O)[N-]C2=O)cc1OC	ZINC000002992591	555875503	/nfs/dbraw/zinc/87/55/03/555875503.db2.gz	DRESWGYYJKKFQP-YHYXMXQVSA-N	-1	0	446.197	1.422	50	0		IDAARM
COc1ccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)CC2=O)cc1	ZINC000008816150	556217455	/nfs/dbraw/zinc/21/74/55/556217455.db2.gz	QNAOSLOPEYYQBC-CQSZACIVSA-N	-1	0	431.470	1.512	50	0		IDAARM
COc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)CC2=O)cc1	ZINC000008816496	556218114	/nfs/dbraw/zinc/21/81/14/556218114.db2.gz	QNAOSLOPEYYQBC-AWEZNQCLSA-N	-1	0	431.470	1.512	50	0		IDAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1	ZINC000009426576	556290541	/nfs/dbraw/zinc/29/05/41/556290541.db2.gz	ZMRQDWPLQGZICZ-MRXNPFEDSA-N	-1	0	447.488	1.680	50	0		IDAARM
O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccccc1C(=O)NCc1ccc2c(c1)OCO2	ZINC000032675456	556415517	/nfs/dbraw/zinc/41/55/17/556415517.db2.gz	HUBIJRBYFUHPNB-UHFFFAOYSA-N	-1	0	436.424	1.636	50	0		IDAARM
O=C([O-])C1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1	ZINC000013220326	556499084	/nfs/dbraw/zinc/49/90/84/556499084.db2.gz	ULFULKSDEQMNKP-UHFFFAOYSA-N	-1	0	427.548	1.672	50	0		IDAARM
COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)N3CCC(C(=O)[O-])CC3)C(C)C)CC2=O)cc1	ZINC000013556772	556516898	/nfs/dbraw/zinc/51/68/98/556516898.db2.gz	FQTXAHMWVLFMEE-UZLBHIALSA-N	-1	0	445.516	1.512	50	0		IDAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]2SC1	ZINC000015947216	556568164	/nfs/dbraw/zinc/56/81/64/556568164.db2.gz	CELMTIZIKITZRZ-WBMJQRKESA-N	-1	0	444.387	1.621	50	0		IDAARM
C[C@@H](C(=O)[N-]S(=O)(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1	ZINC000072310704	556576680	/nfs/dbraw/zinc/57/66/80/556576680.db2.gz	FIHCFVHPFDSJKG-CQSZACIVSA-N	-1	0	431.580	1.850	50	0		IDAARM
CCOC(=O)C1CCN(C(=O)CCc2nnc(Cc3ccc4c(c3)OCO4)[n-]c2=O)CC1	ZINC000034768512	556582397	/nfs/dbraw/zinc/58/23/97/556582397.db2.gz	GHMPDWWFVNROQY-UHFFFAOYSA-N	-1	0	442.472	1.631	50	0		IDAARM
O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1	ZINC000072311727	556588192	/nfs/dbraw/zinc/58/81/92/556588192.db2.gz	DFKQXWAYRWBIGF-UHFFFAOYSA-N	-1	0	448.549	1.193	50	0		IDAARM
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)[N-]C(=O)N(C)C1=O	ZINC000017027411	556653534	/nfs/dbraw/zinc/65/35/34/556653534.db2.gz	CSZIBGKKHPBELW-OSPHWJPCSA-N	-1	0	443.463	1.357	50	0		IDAARM
COc1cccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)c1	ZINC000011858340	556663772	/nfs/dbraw/zinc/66/37/72/556663772.db2.gz	KVSALPTVCXWKTI-UHFFFAOYSA-N	-1	0	426.472	1.571	50	0		IDAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1	ZINC000011858354	556663895	/nfs/dbraw/zinc/66/38/95/556663895.db2.gz	LZOOLIOROLDZFG-UHFFFAOYSA-N	-1	0	438.483	1.765	50	0		IDAARM
Cc1c2c(cc(=O)n1CCc1ccc(S(N)(=O)=O)cc1)[n-]n(-c1ccc(F)cc1)c2=O	ZINC000050128887	556708965	/nfs/dbraw/zinc/70/89/65/556708965.db2.gz	YROWNOVKTXWMJH-UHFFFAOYSA-N	-1	0	442.472	1.818	50	0		IDAARM
C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C[C@H](C)O1	ZINC000058341898	556781918	/nfs/dbraw/zinc/78/19/18/556781918.db2.gz	KTHANRVNQAROTC-TXEJJXNPSA-N	-1	0	425.467	1.003	50	0		IDAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(NS(C)(=O)=O)c(C(=O)[O-])c3)CC2)cc1	ZINC000033259931	556898981	/nfs/dbraw/zinc/89/89/81/556898981.db2.gz	RJYMLCWMGHMRBO-UHFFFAOYSA-N	-1	0	446.529	1.825	50	0		IDAARM
CN(C)C(=O)CN1CCN(c2ccc(NS(=O)(=O)c3ccccc3)c(C(=O)[O-])c2)CC1	ZINC000033259887	556899131	/nfs/dbraw/zinc/89/91/31/556899131.db2.gz	KLPPSJFYDKXLQH-UHFFFAOYSA-N	-1	0	446.529	1.396	50	0		IDAARM
CC1(C)NC(=O)N(CCC(=O)N2CCc3c(nc4cc(-c5ccccc5)[n-]n4c3=O)C2)C1=O	ZINC000097096975	556984521	/nfs/dbraw/zinc/98/45/21/556984521.db2.gz	FKIBSHJCZPXRFP-UHFFFAOYSA-N	-1	0	448.483	1.295	50	0		IDAARM
O=S(=O)([N-]c1cnc(Cl)cn1)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1	ZINC000097117314	556991434	/nfs/dbraw/zinc/99/14/34/556991434.db2.gz	GRQRNABHCOAIMF-UHFFFAOYSA-N	-1	0	430.817	1.771	50	0		IDAARM
Cc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1S(=O)(=O)N1CCCCCC1	ZINC000023110416	557064063	/nfs/dbraw/zinc/06/40/63/557064063.db2.gz	ZUUDDRFNLNHUSM-UHFFFAOYSA-N	-1	0	434.518	1.851	50	0		IDAARM
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)[N-]C(=O)NC1=O	ZINC000018176410	557245537	/nfs/dbraw/zinc/24/55/37/557245537.db2.gz	FTJWRGBHGALMTH-INIZCTEOSA-N	-1	0	429.436	1.856	50	0		IDAARM
COC(=O)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(C)nc(N(C)C)n2)c2ccccc2n1C	ZINC000018194533	557247320	/nfs/dbraw/zinc/24/73/20/557247320.db2.gz	WCUBPTYDGUBXOY-UHFFFAOYSA-N	-1	0	447.477	1.035	50	0		IDAARM
Cn1c(=O)c(=O)n(C)c2cc([N-]S(=O)(=O)c3ccc(Br)s3)ccc21	ZINC000101096344	557254376	/nfs/dbraw/zinc/25/43/76/557254376.db2.gz	RUMPZZYAIFLLFC-UHFFFAOYSA-N	-1	0	430.305	1.862	50	0		IDAARM
COc1cc([C@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc(OC)c1O	ZINC000101762128	557296974	/nfs/dbraw/zinc/29/69/74/557296974.db2.gz	BTUMZDRGULJDLD-CYBMUJFWSA-N	-1	0	430.461	1.909	50	0		IDAARM
COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1OC	ZINC000101762778	557297587	/nfs/dbraw/zinc/29/75/87/557297587.db2.gz	SACUNEWZUZJXBO-ZDUSSCGKSA-N	-1	0	438.440	1.696	50	0		IDAARM
O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000084405651	557298101	/nfs/dbraw/zinc/29/81/01/557298101.db2.gz	SSYYPEMPGBAZTI-GJZGRUSLSA-N	-1	0	446.510	1.834	50	0		IDAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)N3CCOCC3)cc1)c2=O	ZINC000032959325	557319192	/nfs/dbraw/zinc/31/91/92/557319192.db2.gz	AAJNANBLQCAUOJ-UHFFFAOYSA-N	-1	0	439.493	1.993	50	0		IDAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccccc1	ZINC000033330799	557333232	/nfs/dbraw/zinc/33/32/32/557333232.db2.gz	HTFIANVDESWYAA-UHFFFAOYSA-N	-1	0	428.470	1.145	50	0		IDAARM
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(=O)nc2ccc(Cl)cn2c1[O-]	ZINC000205969959	557395968	/nfs/dbraw/zinc/39/59/68/557395968.db2.gz	UWBDIGJMIUEXDE-ZDUSSCGKSA-N	-1	0	442.859	1.939	50	0		IDAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C	ZINC000104041727	557449543	/nfs/dbraw/zinc/44/95/43/557449543.db2.gz	SFXHUNBJRGFEOB-GOSISDBHSA-N	-1	0	435.362	1.084	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc6c(c5)OCO6)no4)c=3c2=O)cc1	ZINC000101274911	557456209	/nfs/dbraw/zinc/45/62/09/557456209.db2.gz	BVSFBAGGHJTHRS-ZWKOTPCHSA-N	-1	0	448.395	1.967	50	0		IDAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2ccc(F)cc21	ZINC000105690446	557509710	/nfs/dbraw/zinc/50/97/10/557509710.db2.gz	BRGRODJDSBVZCB-LJQANCHMSA-N	-1	0	427.436	1.993	50	0		IDAARM
CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2nc(C(=O)OC)ns2)c1	ZINC000225397961	557718318	/nfs/dbraw/zinc/71/83/18/557718318.db2.gz	XZDOXUAKZVFVKF-UHFFFAOYSA-N	-1	0	434.521	1.156	50	0		IDAARM
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@@H]12	ZINC000229802086	557833005	/nfs/dbraw/zinc/83/30/05/557833005.db2.gz	KXOOYMPHUPMNSA-ODCFSMADSA-N	-1	0	449.799	1.304	50	0		IDAARM
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@H]12	ZINC000245226788	557849705	/nfs/dbraw/zinc/84/97/05/557849705.db2.gz	KXOOYMPHUPMNSA-ZOZBEKFXSA-N	-1	0	449.799	1.304	50	0		IDAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(=O)[nH]c(=O)n(Cc2ccc(F)cc2)c1[O-]	ZINC000002448812	562927749	/nfs/dbraw/zinc/92/77/49/562927749.db2.gz	WWYXQYASDFTHRC-MRXNPFEDSA-N	-1	0	428.372	1.707	50	0		IDAARM
Cn1c2nc(SCC(=O)[O-])n(Cc3cccc(C(F)(F)F)c3)c2c(=O)n(C)c1=O	ZINC000004036877	562941201	/nfs/dbraw/zinc/94/12/01/562941201.db2.gz	NBILXXNSGNHLEZ-UHFFFAOYSA-N	-1	0	428.392	1.678	50	0		IDAARM
O=C([O-])c1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1Cl	ZINC000009467724	562971697	/nfs/dbraw/zinc/97/16/97/562971697.db2.gz	HKQCDBDOSXWIOL-UHFFFAOYSA-N	-1	0	444.918	1.733	50	0		IDAARM
COc1ccc([C@H](CC(=O)N[C@@H]2CCOC2=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585713	568759051	/nfs/dbraw/zinc/75/90/51/568759051.db2.gz	LOHDEIJWLQIHAE-UONOGXRCSA-N	-1	0	447.440	1.633	50	0	biogenic	IDAARM
COc1ccccc1C1=Nc2ccc(S(=O)(=O)N3CCOCC3)cc2S(=O)(=O)[N-]1	ZINC000015682408	568807339	/nfs/dbraw/zinc/80/73/39/568807339.db2.gz	OMFFLALBBRRRJL-UHFFFAOYSA-N	-1	0	437.499	1.086	50	0		IDAARM
COc1ccc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(C)=O)c(OC)c1OC	ZINC000015834824	568843394	/nfs/dbraw/zinc/84/33/94/568843394.db2.gz	UJCPMMXPYDGMQV-ZDUSSCGKSA-N	-1	0	448.501	1.882	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000016032670	568867631	/nfs/dbraw/zinc/86/76/31/568867631.db2.gz	YXCRQEGMDQRINR-YEJXKQKISA-N	-1	0	444.484	1.782	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cccnc3)[C@@H]2C1=O	ZINC000238901755	568910172	/nfs/dbraw/zinc/91/01/72/568910172.db2.gz	MLQZGIPLWFHGLW-DUDIHSTPSA-N	-1	0	443.506	1.389	50	0		IDAARM
COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@@H]23)c(OC)c1	ZINC000248254712	568919091	/nfs/dbraw/zinc/91/90/91/568919091.db2.gz	RLIAYFATZPZDJF-OWSLCNJRSA-N	-1	0	440.408	1.305	50	0		IDAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1NNc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000252429269	568922837	/nfs/dbraw/zinc/92/28/37/568922837.db2.gz	HRDINRAFVYVXHO-FQEVSTJZSA-N	-1	0	429.502	1.690	50	0		IDAARM
CC(=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(OCC(=O)[O-])cc1	ZINC000252597971	568925884	/nfs/dbraw/zinc/92/58/84/568925884.db2.gz	CWSLVXNRSWCFON-UHFFFAOYSA-N	-1	0	425.850	1.605	50	0		IDAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[NH+]1CCN(c3ncccn3)CC1)cn2CCC(=O)[O-]	ZINC000036354330	569084217	/nfs/dbraw/zinc/08/42/17/569084217.db2.gz	QKFKBVIRFPDJFC-FQEVSTJZSA-N	-1	0	439.472	1.863	50	0		IDAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCCC3)CC2)c2ccc(F)cc21	ZINC000036356879	569084460	/nfs/dbraw/zinc/08/44/60/569084460.db2.gz	YGWIPOIYLUPEAI-OAQYLSRUSA-N	-1	0	446.479	1.231	50	0		IDAARM
COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)n2)cc1OC	ZINC000238900217	569137738	/nfs/dbraw/zinc/13/77/38/569137738.db2.gz	HZICPWWKCSMTCD-SHTZXODSSA-N	-1	0	429.473	1.935	50	0		IDAARM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1F	ZINC000170617232	569147122	/nfs/dbraw/zinc/14/71/22/569147122.db2.gz	WWISPLPOPCNPML-JTQLQIEISA-N	-1	0	430.429	1.347	50	0		IDAARM
COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1F	ZINC000170617231	569147145	/nfs/dbraw/zinc/14/71/45/569147145.db2.gz	WWISPLPOPCNPML-SNVBAGLBSA-N	-1	0	430.429	1.347	50	0		IDAARM
CCCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N(CC)CC(=O)NC(C)C	ZINC000089960382	569169050	/nfs/dbraw/zinc/16/90/50/569169050.db2.gz	NBWFPDKMPRCFBW-UHFFFAOYSA-N	-1	0	435.568	1.382	50	0		IDAARM
COc1ccccc1-n1c(=O)[nH]c([O-])c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c1=O	ZINC000002103199	569179959	/nfs/dbraw/zinc/17/99/59/569179959.db2.gz	QTPRJQCZWHVTKU-INIZCTEOSA-N	-1	0	426.381	1.517	50	0	biogenic	IDAARM
O=C([O-])CN1C(=O)C(=c2sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21	ZINC000252476895	569185726	/nfs/dbraw/zinc/18/57/26/569185726.db2.gz	DLZRQFVLQWRMLO-UHFFFAOYSA-N	-1	0	438.852	1.821	50	0		IDAARM
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000252694905	569211049	/nfs/dbraw/zinc/21/10/49/569211049.db2.gz	RSCLXFAWZIXTNW-TUVASFSCSA-N	-1	0	443.566	1.808	50	0	biogenic	IDAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)nc(C)n1	ZINC000005345149	569256653	/nfs/dbraw/zinc/25/66/53/569256653.db2.gz	FUITWENOWAIEQU-UHFFFAOYSA-N	-1	0	444.473	1.240	50	0		IDAARM
O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1	ZINC000253410480	569265768	/nfs/dbraw/zinc/26/57/68/569265768.db2.gz	CBWGGRBKSYSXSN-INIZCTEOSA-N	-1	0	433.534	1.683	50	0		IDAARM
O=C([O-])CN1C(=O)S/C(=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O	ZINC000027570997	569273582	/nfs/dbraw/zinc/27/35/82/569273582.db2.gz	JBMMYZJFAYTSEH-SXGWCWSVSA-N	-1	0	429.454	1.621	50	0		IDAARM
CC(=O)N[C@@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H]1OCC(=O)[O-]	ZINC000253498147	569283318	/nfs/dbraw/zinc/28/33/18/569283318.db2.gz	DVENRNKFWMZEEL-KTGVFUQPSA-N	-1	0	443.452	1.879	50	0		IDAARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)CCO)cc3)C2=O)cc1	ZINC000013615023	569291519	/nfs/dbraw/zinc/29/15/19/569291519.db2.gz	WVSYCWVKBGZVFZ-SFQUDFHCSA-N	-1	0	429.454	1.340	50	0		IDAARM
COc1ccccc1-c1nc2s/c(=C3/c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2n1	ZINC000002395677	569298279	/nfs/dbraw/zinc/29/82/79/569298279.db2.gz	WDYVVVKBDPGTFS-MSUUIHNZSA-N	-1	0	434.433	1.176	50	0		IDAARM
COc1c2c(cc3c1[C@H](CC(=O)c1c([O-])n(C)c(=S)n(C)c1=O)N(C)CC3)OCO2	ZINC000020112953	569334608	/nfs/dbraw/zinc/33/46/08/569334608.db2.gz	CPHAHVLHJGLJBB-NSHDSACASA-N	-1	0	433.486	1.698	50	0	biogenic	IDAARM
COc1c2c(cc3c1[C@@H](c1c([O-])[nH]c(=O)n(-c4ccccc4F)c1=O)N(C)CC3)OCO2	ZINC000020412505	569364206	/nfs/dbraw/zinc/36/42/06/569364206.db2.gz	MARHQSIMVLSWQT-KRWDZBQOSA-N	-1	0	441.415	1.685	50	0	biogenic	IDAARM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cnn2c1nccc2-c1cccs1	ZINC000095464483	569370517	/nfs/dbraw/zinc/37/05/17/569370517.db2.gz	OIVCRTBKTJXMQC-ZDUSSCGKSA-N	-1	0	427.486	1.853	50	0		IDAARM
O=C(CSc1cn[nH]n1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1	ZINC000095471370	569372011	/nfs/dbraw/zinc/37/20/11/569372011.db2.gz	NWSBEGPGBJXBCD-UHFFFAOYSA-N	-1	0	425.883	1.780	50	0		IDAARM
Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000095955694	569376826	/nfs/dbraw/zinc/37/68/26/569376826.db2.gz	QEXUNEOREUWCRL-SFHVURJKSA-N	-1	0	432.498	1.442	50	0		IDAARM
COc1ccc(O)c(C(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])CC2)c1	ZINC000095989485	569378221	/nfs/dbraw/zinc/37/82/21/569378221.db2.gz	LQCSOOPCPOVLJQ-UHFFFAOYSA-N	-1	0	438.458	1.456	50	0		IDAARM
C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@@H](C(=O)[O-])O1	ZINC000095991966	569378311	/nfs/dbraw/zinc/37/83/11/569378311.db2.gz	QCJBQRFKXYAYRP-KUHUBIRLSA-N	-1	0	436.530	1.277	50	0		IDAARM
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c([O-])nc2ccccn2c1=O	ZINC000096114160	569382765	/nfs/dbraw/zinc/38/27/65/569382765.db2.gz	PVGWXARWPLDWAJ-ZDUSSCGKSA-N	-1	0	449.419	1.708	50	0	biogenic	IDAARM
COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)c1	ZINC000096134023	569385835	/nfs/dbraw/zinc/38/58/35/569385835.db2.gz	PRAOSULDGYCSGA-WTKPLQERSA-N	-1	0	445.457	1.667	50	0		IDAARM
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096221005	569386724	/nfs/dbraw/zinc/38/67/24/569386724.db2.gz	GYHCPLGCDVKAGC-CYBMUJFWSA-N	-1	0	435.429	1.668	50	0	biogenic	IDAARM
COC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096221695	569386973	/nfs/dbraw/zinc/38/69/73/569386973.db2.gz	MZSQYROFOZIGGU-AWEZNQCLSA-N	-1	0	426.425	1.494	50	0	biogenic	IDAARM
COc1cc(=O)n(C)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1	ZINC000225649471	569406322	/nfs/dbraw/zinc/40/63/22/569406322.db2.gz	CHYXGFKKCKONIX-UHFFFAOYSA-N	-1	0	443.485	1.854	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@@H]3SC2=NC(=O)SC2[C@@H]1c1ccco1	ZINC000226984873	569430484	/nfs/dbraw/zinc/43/04/84/569430484.db2.gz	VEAZGPPZOQXRGA-INRAJXEMSA-N	-1	0	432.479	2.000	50	0		IDAARM
NS(=O)(=O)c1ccc(CCn2c(=O)c3cc(N4CCOCC4)ccc3[n-]c2=S)cc1	ZINC000002976013	569433512	/nfs/dbraw/zinc/43/35/12/569433512.db2.gz	NFBNCEKKCQUGSP-UHFFFAOYSA-N	-1	0	446.554	1.786	50	0		IDAARM
COc1cc2c(c3oc(=O)c(CC(=O)NCC(=O)NCC(=O)[O-])c(C)c13)CCC(C)(C)O2	ZINC000008764911	569474663	/nfs/dbraw/zinc/47/46/63/569474663.db2.gz	CNBAZKBDTYAVIW-UHFFFAOYSA-N	-1	0	446.456	1.073	50	0	biogenic	IDAARM
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-]	ZINC000008995869	569495678	/nfs/dbraw/zinc/49/56/78/569495678.db2.gz	HRWGUCQKYFQTLQ-IJDPYKPMSA-N	-1	0	433.530	1.765	50	0	biogenic	IDAARM
Cc1cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c2c3c(c(=O)oc2c1)CCC3	ZINC000009045472	569498101	/nfs/dbraw/zinc/49/81/01/569498101.db2.gz	OSTSSHAHCYVZSY-HXUWFJFHSA-N	-1	0	430.457	1.311	50	0		IDAARM
CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)c12	ZINC000009059124	569499307	/nfs/dbraw/zinc/49/93/07/569499307.db2.gz	XNCFSPASXCGLFC-LRTDBIEQSA-N	-1	0	432.473	1.774	50	0		IDAARM
CC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)[O-])CC(c3ccc(OCC(N)=O)cc3)=NO2)cc1	ZINC000009129582	569505773	/nfs/dbraw/zinc/50/57/73/569505773.db2.gz	ZZBKUFLCPSLZKT-QFIPXVFZSA-N	-1	0	439.424	1.730	50	0		IDAARM
CSCC[C@@H](C(=O)NCC1CCC(C(=O)[O-])CC1)n1c(=O)[nH]c2ccccc2c1=O	ZINC000009236759	569514144	/nfs/dbraw/zinc/51/41/44/569514144.db2.gz	WEGRZYOAQWGFKK-KVULBXGLSA-N	-1	0	433.530	1.991	50	0		IDAARM
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])C2)cc1	ZINC000009305368	569521251	/nfs/dbraw/zinc/52/12/51/569521251.db2.gz	DQYUANMGUUYLIH-XLIONFOSSA-N	-1	0	446.525	1.908	50	0		IDAARM
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000009320118	569522577	/nfs/dbraw/zinc/52/25/77/569522577.db2.gz	NOYPLWXKHCPAQM-IRXDYDNUSA-N	-1	0	427.482	1.406	50	0	biogenic	IDAARM
O=C([O-])c1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1	ZINC000009418751	569532423	/nfs/dbraw/zinc/53/24/23/569532423.db2.gz	BGARIECHKROLBN-MRXNPFEDSA-N	-1	0	449.407	1.806	50	0		IDAARM
NC(=O)c1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)cc1	ZINC000009518230	569544029	/nfs/dbraw/zinc/54/40/29/569544029.db2.gz	HLPGSSCDVYDFJR-UHFFFAOYSA-N	-1	0	428.430	1.027	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(F)ccc4F)c=3c2=O)cc1OC	ZINC000009675777	569559328	/nfs/dbraw/zinc/55/93/28/569559328.db2.gz	SIDFERKYXAITDQ-QZTJIDSGSA-N	-1	0	445.382	1.914	50	0		IDAARM
CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-]	ZINC000009791492	569568231	/nfs/dbraw/zinc/56/82/31/569568231.db2.gz	UJYYIICGCLGEOJ-ZENOOKHLSA-N	-1	0	430.548	1.421	50	0		IDAARM
CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)[O-]	ZINC000009791497	569568239	/nfs/dbraw/zinc/56/82/39/569568239.db2.gz	UJYYIICGCLGEOJ-XEZPLFJOSA-N	-1	0	430.548	1.421	50	0		IDAARM
NC(=O)C1CCN(C(=O)Cc2csc([N-]S(=O)(=O)c3ccc(F)cc3)n2)CC1	ZINC000009818328	569569305	/nfs/dbraw/zinc/56/93/05/569569305.db2.gz	ALHVMGLVUFQGCI-UHFFFAOYSA-N	-1	0	426.495	1.349	50	0		IDAARM
COc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCC(C(N)=O)CC3)cs2)cc1	ZINC000009828676	569569838	/nfs/dbraw/zinc/56/98/38/569569838.db2.gz	WXRWDCFGZSFWTC-UHFFFAOYSA-N	-1	0	438.531	1.219	50	0		IDAARM
COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])n2)cc1OC	ZINC000071328800	569575597	/nfs/dbraw/zinc/57/55/97/569575597.db2.gz	VYTVVDSDIJEJEF-GOSISDBHSA-N	-1	0	437.452	1.740	50	0		IDAARM
CSCC[C@@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-]	ZINC000071333057	569575680	/nfs/dbraw/zinc/57/56/80/569575680.db2.gz	APTWHERGQWRFMQ-CQSZACIVSA-N	-1	0	440.319	1.995	50	0		IDAARM
CC(C)NC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CC4)ccc3n2)CC1	ZINC000033260835	569587416	/nfs/dbraw/zinc/58/74/16/569587416.db2.gz	IPYMDEOHFGLSGQ-UHFFFAOYSA-N	-1	0	439.516	1.928	50	0		IDAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000009170895	132227179	/nfs/dbraw/zinc/22/71/79/132227179.db2.gz	UVELKMNWTXVIMC-ZCPGHIKRSA-N	-1	0	434.493	1.154	50	0	biogenic	IDAARM
CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(OC)cc1)C[C@@H](C(=O)[O-])O2	ZINC000006182850	132276565	/nfs/dbraw/zinc/27/65/65/132276565.db2.gz	LHQNYVAYHIMIJV-KRWDZBQOSA-N	-1	0	441.483	1.530	50	0		IDAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]2SC1	ZINC000015947213	519755527	/nfs/dbraw/zinc/75/55/27/519755527.db2.gz	CELMTIZIKITZRZ-LRDDRELGSA-N	-1	0	444.387	1.621	50	0		IDAARM
CC(C)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-]	ZINC000012889949	519798068	/nfs/dbraw/zinc/79/80/68/519798068.db2.gz	MYOGPWORSRCWFR-FXAWDEMLSA-N	-1	0	438.484	1.991	50	0	biogenic	IDAARM
CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000012886078	521966804	/nfs/dbraw/zinc/96/68/04/521966804.db2.gz	JOFBCJSJNSSHRO-ZDUSMZPESA-N	-1	0	445.516	1.655	50	0	biogenic	IDAARM
COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)c1	ZINC000012236015	522243531	/nfs/dbraw/zinc/24/35/31/522243531.db2.gz	JITZLHNSESQDHR-OAHLLOKOSA-N	-1	0	427.504	1.447	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000012889854	522374008	/nfs/dbraw/zinc/37/40/08/522374008.db2.gz	PZDCDLRIQOKDII-MRRJBJDNSA-N	-1	0	436.534	1.892	50	0	biogenic	IDAARM
CC[C@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccc(OC)cc1)C(=O)[O-]	ZINC000012531193	522924950	/nfs/dbraw/zinc/92/49/50/522924950.db2.gz	BIJVTWLWOMNVAH-AWEZNQCLSA-N	-1	0	432.502	1.640	50	0		IDAARM
COc1ccc(-c2nc3[nH]c(=O)[nH]c([O-])c-3c2-c2c(=O)[nH]c(=O)[nH]c2-n2cccc2)cc1	ZINC000020896832	523073184	/nfs/dbraw/zinc/07/31/84/523073184.db2.gz	JYRWGQOFRFZCKA-UHFFFAOYSA-N	-1	0	432.396	1.054	50	0		IDAARM
CN1CCN(C(=O)CN2CCN([C@H](C(=O)[O-])c3c[nH]c4cccc(Cl)c43)CC2)CC1	ZINC000020744909	523874406	/nfs/dbraw/zinc/87/44/06/523874406.db2.gz	FDOGEZZMAWTIRR-FQEVSTJZSA-N	-1	0	433.940	1.339	50	0		IDAARM
COc1ccc2c(C)c(CC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc2c1OC	ZINC000011865464	525497506	/nfs/dbraw/zinc/49/75/06/525497506.db2.gz	RMQHYTWVRFBXPD-QGZVFWFLSA-N	-1	0	434.445	1.003	50	0		IDAARM
C[C@@H](O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-]	ZINC000012759050	525856912	/nfs/dbraw/zinc/85/69/12/525856912.db2.gz	LCVOEJJLTFTRGA-YGRLFVJLSA-N	-1	0	438.424	1.056	50	0		IDAARM
O=C([O-])[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000012794448	526323456	/nfs/dbraw/zinc/32/34/56/526323456.db2.gz	YLYSNJGCUVZDRF-MRXNPFEDSA-N	-1	0	438.502	1.324	50	0		IDAARM
Cc1n[n-]c(=S)n1-c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1	ZINC000012427705	526482066	/nfs/dbraw/zinc/48/20/66/526482066.db2.gz	LYKCSKWEEVICCL-UHFFFAOYSA-N	-1	0	425.536	1.096	50	0		IDAARM
O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000012531910	526715681	/nfs/dbraw/zinc/71/56/81/526715681.db2.gz	GHEORYNPUWJOCH-HZPDHXFCSA-N	-1	0	441.469	1.167	50	0		IDAARM
NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1	ZINC000036056357	527055866	/nfs/dbraw/zinc/05/58/66/527055866.db2.gz	DDMCZWSOIGUACF-HTAPYJJXSA-N	-1	0	436.493	1.533	50	0		IDAARM
Cn1c2ccc(S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2n(C)c1=O	ZINC000041091407	527104823	/nfs/dbraw/zinc/10/48/23/527104823.db2.gz	LNTCMUQRCOMGGU-INIZCTEOSA-N	-1	0	428.470	1.333	50	0		IDAARM
Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1cnn(C)c1C(=O)Nc1cnn(C)c1C	ZINC000002804353	556143005	/nfs/dbraw/zinc/14/30/05/556143005.db2.gz	OIXSDIUUAHAGFD-UHFFFAOYSA-N	-1	0	442.452	1.724	50	0		IDAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1	ZINC000009426577	556290643	/nfs/dbraw/zinc/29/06/43/556290643.db2.gz	ZMRQDWPLQGZICZ-INIZCTEOSA-N	-1	0	447.488	1.680	50	0		IDAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCCO5)c=3c2=O)cc1	ZINC000009938676	556318493	/nfs/dbraw/zinc/31/84/93/556318493.db2.gz	IQTAYBXSABNVRF-WOJBJXKFSA-N	-1	0	435.440	1.952	50	0		IDAARM
CC(C)n1c([O-])c([C@@H]2c3ccc(O)cc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O	ZINC000013556826	556516888	/nfs/dbraw/zinc/51/68/88/556516888.db2.gz	NQWWSJUFPRVTIR-ZDUSSCGKSA-N	-1	0	442.428	1.246	50	0		IDAARM
CC1(C)Cc2c(sc3c2c(=O)n(CC(=O)[O-])c(=O)n3CC(=O)NCc2ccco2)CO1	ZINC000013610008	556534363	/nfs/dbraw/zinc/53/43/63/556534363.db2.gz	LNFHPQARNOXFQW-UHFFFAOYSA-N	-1	0	447.469	1.070	50	0		IDAARM
CCCCOc1nc(CC)nc(NC(=O)[N-]S(=O)(=O)c2ccccc2C(=O)OC)n1	ZINC000002831369	556575429	/nfs/dbraw/zinc/57/54/29/556575429.db2.gz	JQNUOBZCLUMXOA-UHFFFAOYSA-N	-1	0	437.478	1.910	50	0		IDAARM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)ccc1OC	ZINC000016624344	556618354	/nfs/dbraw/zinc/61/83/54/556618354.db2.gz	XYGDFUDWJIRUBA-UHFFFAOYSA-N	-1	0	433.486	1.328	50	0		IDAARM
Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1	ZINC000011866155	556665954	/nfs/dbraw/zinc/66/59/54/556665954.db2.gz	GCKWDXNVCSESSO-GFCCVEGCSA-N	-1	0	429.545	1.098	50	0		IDAARM
CCOC(=O)N1CCC(NC(=O)Cn2c([O-])nc3c(-c4ccccc4)c[nH]c3c2=O)CC1	ZINC000033037994	556723960	/nfs/dbraw/zinc/72/39/60/556723960.db2.gz	TUNYEKBCWZHOKP-UHFFFAOYSA-N	-1	0	439.472	1.834	50	0		IDAARM
CSCC[C@H](NC(=O)Cn1nc(-c2ccc(Br)cc2)ccc1=O)C(=O)[O-]	ZINC000061720124	556726810	/nfs/dbraw/zinc/72/68/10/556726810.db2.gz	APTWHERGQWRFMQ-AWEZNQCLSA-N	-1	0	440.319	1.995	50	0		IDAARM
CCCC(=O)Nc1ccc2nc(N3CCN(CC(=O)N(C)C)CC3)cc(C(=O)[O-])c2c1	ZINC000033260623	556897378	/nfs/dbraw/zinc/89/73/78/556897378.db2.gz	XEUHYLQDFHHQMT-UHFFFAOYSA-N	-1	0	427.505	1.882	50	0		IDAARM
COc1cc(C(=O)NCCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc(OC)c1OC	ZINC000046086243	557035870	/nfs/dbraw/zinc/03/58/70/557035870.db2.gz	DBRLCIGSAPFICM-MRXNPFEDSA-N	-1	0	430.457	1.644	50	0		IDAARM
COc1cc(C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc(OC)c1OC	ZINC000046086241	557035908	/nfs/dbraw/zinc/03/59/08/557035908.db2.gz	DBRLCIGSAPFICM-INIZCTEOSA-N	-1	0	430.457	1.644	50	0		IDAARM
CCC(=O)Nc1cccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)c1C	ZINC000023144793	557068283	/nfs/dbraw/zinc/06/82/83/557068283.db2.gz	WKHBTQZDNXQCBP-UHFFFAOYSA-N	-1	0	447.469	1.954	50	0		IDAARM
Cc1cc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cn1	ZINC000049343603	557094394	/nfs/dbraw/zinc/09/43/94/557094394.db2.gz	DWIJUOFTKLCACN-UHFFFAOYSA-N	-1	0	428.474	1.398	50	0		IDAARM
O=C([O-])c1cn(Cc2ccccn2)nc1S(=O)(=O)N1CCN(c2ccccc2)CC1	ZINC000049411670	557106938	/nfs/dbraw/zinc/10/69/38/557106938.db2.gz	PXWFJHHZYMWPTQ-UHFFFAOYSA-N	-1	0	427.486	1.536	50	0		IDAARM
CC(C)[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)NC(N)=O	ZINC000010923426	557226122	/nfs/dbraw/zinc/22/61/22/557226122.db2.gz	VGKYCCVTZKTIEB-CQSZACIVSA-N	-1	0	425.488	1.925	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(OC)c4)c=3c2=O)cc1	ZINC000101165967	557257793	/nfs/dbraw/zinc/25/77/93/557257793.db2.gz	RTYYFXIMHRVRMH-RBUKOAKNSA-N	-1	0	439.428	1.644	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(OC)c4)c=3c2=O)cc1	ZINC000101165965	557257806	/nfs/dbraw/zinc/25/78/06/557257806.db2.gz	RTYYFXIMHRVRMH-OALUTQOASA-N	-1	0	439.428	1.644	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc2c(c1)OCO2	ZINC000101169289	557259203	/nfs/dbraw/zinc/25/92/03/557259203.db2.gz	GOEJWZSECZPHNV-DLBZAZTESA-N	-1	0	429.339	1.625	50	0		IDAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)c1	ZINC000101169817	557259425	/nfs/dbraw/zinc/25/94/25/557259425.db2.gz	IYJXILDGYGPSBC-RTBURBONSA-N	-1	0	439.428	1.644	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1OC	ZINC000101169827	557259453	/nfs/dbraw/zinc/25/94/53/557259453.db2.gz	XYWOEQOHBSNJDB-ROUUACIJSA-N	-1	0	427.392	1.775	50	0		IDAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3cc(OC)ccc3OC)C2)c1[O-]	ZINC000101455855	557286268	/nfs/dbraw/zinc/28/62/68/557286268.db2.gz	YXUWKVJCENQCBE-INIZCTEOSA-N	-1	0	430.461	1.757	50	0		IDAARM
COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@H](c3cccs3)C2)c1=O	ZINC000101456586	557287252	/nfs/dbraw/zinc/28/72/52/557287252.db2.gz	VHYKSSGBXGUBDI-AWEZNQCLSA-N	-1	0	426.454	1.999	50	0		IDAARM
CCOC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1	ZINC000031819281	557294367	/nfs/dbraw/zinc/29/43/67/557294367.db2.gz	AYFGJSPDGPZFDG-IBGZPJMESA-N	-1	0	446.460	1.871	50	0		IDAARM
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000084405650	557297993	/nfs/dbraw/zinc/29/79/93/557297993.db2.gz	SSYYPEMPGBAZTI-GASCZTMLSA-N	-1	0	446.510	1.834	50	0		IDAARM
CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1	ZINC000102442241	557325718	/nfs/dbraw/zinc/32/57/18/557325718.db2.gz	NGRMHTNKLNULNF-ROUUACIJSA-N	-1	0	439.403	1.934	50	0		IDAARM
O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCc2nc3cc[n-]n3c(=O)c2C1	ZINC000102990611	557458629	/nfs/dbraw/zinc/45/86/29/557458629.db2.gz	ODEOXVNHFZYQBB-LLVKDONJSA-N	-1	0	429.839	1.753	50	0		IDAARM
CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@H]3CCCO3)[n-]c2=O)cc1	ZINC000012033414	557524692	/nfs/dbraw/zinc/52/46/92/557524692.db2.gz	YJGQEWXRZJXZAX-CQSZACIVSA-N	-1	0	447.517	1.390	50	0		IDAARM
Cc1c(C(=O)[N-]S(=O)(=O)c2c(Cl)nc3ccc(Br)cn32)cnn1C	ZINC000225731724	557769993	/nfs/dbraw/zinc/76/99/93/557769993.db2.gz	VXMGIYMFFZWOLU-UHFFFAOYSA-N	-1	0	432.687	1.911	50	0		IDAARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccnc2)cc1	ZINC000002227326	562926508	/nfs/dbraw/zinc/92/65/08/562926508.db2.gz	WBVIRDIDIFJCDT-UHFFFAOYSA-N	-1	0	444.498	1.808	50	0		IDAARM
COC(=O)[C@]([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)(NC(C)=O)C(F)(F)F	ZINC000008974582	562966423	/nfs/dbraw/zinc/96/64/23/562966423.db2.gz	HWCLMJPDYGVVLV-CYBMUJFWSA-N	-1	0	425.410	1.679	50	0		IDAARM
C[C@]12CC[C@H]3c4ccc(O[C@H]5O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]5O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O	ZINC000253614956	568643977	/nfs/dbraw/zinc/64/39/77/568643977.db2.gz	MUOHJTRCBBDUOW-JETXAURYSA-N	-1	0	448.512	1.175	50	0		IDAARM
C[C@]12CC[C@H]3c4ccc(O[C@H]5O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]5O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000253614958	568644140	/nfs/dbraw/zinc/64/41/40/568644140.db2.gz	MUOHJTRCBBDUOW-QGPDHCLNSA-N	-1	0	448.512	1.175	50	0		IDAARM
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@H]2O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253614950	568644144	/nfs/dbraw/zinc/64/41/44/568644144.db2.gz	MTKNDAQYHASLID-RMKGZOJFSA-N	-1	0	448.512	1.526	50	0		IDAARM
CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-]	ZINC000034808367	568738130	/nfs/dbraw/zinc/73/81/30/568738130.db2.gz	FYEFTAXZMDGBPL-LRTDBIEQSA-N	-1	0	444.484	1.701	50	0		IDAARM
Cc1c(C)[n+]([O-])c([C@H](c2cccnc2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263587254	568760425	/nfs/dbraw/zinc/76/04/25/568760425.db2.gz	DWNJHGMASYCEME-LJQANCHMSA-N	-1	0	447.495	1.980	50	0		IDAARM
Cc1c(C)[n+]([O-])c([C@@H](c2cccnc2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263587253	568760468	/nfs/dbraw/zinc/76/04/68/568760468.db2.gz	DWNJHGMASYCEME-IBGZPJMESA-N	-1	0	447.495	1.980	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000016032671	568867577	/nfs/dbraw/zinc/86/75/77/568867577.db2.gz	YXCRQEGMDQRINR-ASSNKEHSSA-N	-1	0	444.484	1.782	50	0		IDAARM
COc1ccc(N2C[C@H](NC(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)CC2=O)cc1	ZINC000016047647	568869195	/nfs/dbraw/zinc/86/91/95/568869195.db2.gz	RKFKJLHKJQPDNG-OAHLLOKOSA-N	-1	0	446.485	1.447	50	0		IDAARM
Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O	ZINC000226914376	568885624	/nfs/dbraw/zinc/88/56/24/568885624.db2.gz	HNRXJCZEOHTRIT-PERZLDATSA-N	-1	0	443.463	1.927	50	0		IDAARM
COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@@H]23)c(OC)c1	ZINC000229864567	568887115	/nfs/dbraw/zinc/88/71/15/568887115.db2.gz	RLIAYFATZPZDJF-BDXSIMOUSA-N	-1	0	440.408	1.305	50	0		IDAARM
COc1ccc(OC)c([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@@H]23)c1	ZINC000169700794	569076619	/nfs/dbraw/zinc/07/66/19/569076619.db2.gz	ZRBRCYWEXZDFLF-BDXSIMOUSA-N	-1	0	440.408	1.305	50	0		IDAARM
COc1ccc2c(c1)c([C@@H](C(=O)[O-])[N@@H+]1CCCN(c3ncccn3)CC1)cn2CC(=O)[O-]	ZINC000036366120	569087120	/nfs/dbraw/zinc/08/71/20/569087120.db2.gz	HXTTVUKECAUSFZ-FQEVSTJZSA-N	-1	0	439.472	1.863	50	0		IDAARM
CC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)cc1O2	ZINC000036369951	569088575	/nfs/dbraw/zinc/08/85/75/569088575.db2.gz	IXVVXZNKMSZAKG-FQEVSTJZSA-N	-1	0	432.473	1.637	50	0	biogenic	IDAARM
Cc1c(C)[n+]([O-])c([C@H](c2ccc(Cl)cc2Cl)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524733539	569127919	/nfs/dbraw/zinc/12/79/19/569127919.db2.gz	UYZDIQOOVKVBOW-CYBMUJFWSA-N	-1	0	441.271	1.152	50	0		IDAARM
Cc1cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c2c(c1)oc(=O)c1c2CCCC1	ZINC000002123542	569183675	/nfs/dbraw/zinc/18/36/75/569183675.db2.gz	QWMFPOQOALOHMZ-NRFANRHFSA-N	-1	0	444.484	1.701	50	0	biogenic	IDAARM
N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(C(=O)[O-])cc2)c(=O)n1-c1ccccc1	ZINC000252497832	569187969	/nfs/dbraw/zinc/18/79/69/569187969.db2.gz	BXDOVYXZVNAVJB-UHFFFAOYSA-N	-1	0	445.500	1.723	50	0		IDAARM
CCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12	ZINC000002160523	569189016	/nfs/dbraw/zinc/18/90/16/569189016.db2.gz	GOGWDOJDMKROOJ-YUNKPMOVSA-N	-1	0	432.473	1.774	50	0	biogenic	IDAARM
COc1cc(C(=O)N/C(=C/c2ccc(F)cc2)C(=O)NCC(=O)[O-])cc(OC)c1OC	ZINC000027521253	569218387	/nfs/dbraw/zinc/21/83/87/569218387.db2.gz	MORAPMMTRXXPFZ-OVCLIPMQSA-N	-1	0	432.404	1.823	50	0		IDAARM
CC(C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCS(=O)(=O)C(F)(F)F)cc1	ZINC000253405872	569265243	/nfs/dbraw/zinc/26/52/43/569265243.db2.gz	SFJOSUUWTWVPSZ-UHFFFAOYSA-N	-1	0	438.471	1.050	50	0		IDAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O	ZINC000253487983	569283239	/nfs/dbraw/zinc/28/32/39/569283239.db2.gz	UVELKMNWTXVIMC-SJWGOKEGSA-N	-1	0	434.493	1.804	50	0		IDAARM
CC(C)CO[N-]C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000096012461	569380021	/nfs/dbraw/zinc/38/00/21/569380021.db2.gz	UFUZYGNNPBFYBX-CYBMUJFWSA-N	-1	0	425.429	1.322	50	0		IDAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cncn4)nn3)cc2)n1	ZINC000096097870	569381400	/nfs/dbraw/zinc/38/14/00/569381400.db2.gz	ZWTYYNAJBFCDCE-UHFFFAOYSA-N	-1	0	437.445	1.209	50	0		IDAARM
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCCO3)c1c([O-])nc2ccccn2c1=O	ZINC000096114161	569382697	/nfs/dbraw/zinc/38/26/97/569382697.db2.gz	PVGWXARWPLDWAJ-CYBMUJFWSA-N	-1	0	449.419	1.708	50	0	biogenic	IDAARM
Cc1nn(CCC(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)c(C)c1Br	ZINC000002785975	569421285	/nfs/dbraw/zinc/42/12/85/569421285.db2.gz	XUYFIZCSLJANOL-SWLSCSKDSA-N	-1	0	443.323	1.411	50	0		IDAARM
Cc1nn(CCC(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)c(C)c1Br	ZINC000002785977	569421370	/nfs/dbraw/zinc/42/13/70/569421370.db2.gz	XUYFIZCSLJANOL-WFASDCNBSA-N	-1	0	443.323	1.411	50	0		IDAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)CCNS(=O)(=O)c1ccc(C)cc1	ZINC000003485079	569452377	/nfs/dbraw/zinc/45/23/77/569452377.db2.gz	OXRAQOMVNGDNBI-UHFFFAOYSA-N	-1	0	434.470	1.172	50	0		IDAARM
CCOC(=O)c1cc([N-]S(=O)(=O)c2cc(C(=O)NC)n(C)c2)cc(C(=O)OCC)c1	ZINC000031668376	569457007	/nfs/dbraw/zinc/45/70/07/569457007.db2.gz	OAHBHWHDSMLDSX-UHFFFAOYSA-N	-1	0	437.474	1.539	50	0		IDAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O	ZINC000229677316	569461296	/nfs/dbraw/zinc/46/12/96/569461296.db2.gz	UVELKMNWTXVIMC-ZFVVBOAOSA-N	-1	0	434.493	1.804	50	0		IDAARM
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])C(=O)[C@]31C	ZINC000008789706	569475939	/nfs/dbraw/zinc/47/59/39/569475939.db2.gz	GMQOHLUOROULGX-HJTOQOCKSA-N	-1	0	428.445	1.190	50	0	biogenic	IDAARM
CC(C)C[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2)CC1)C(=O)[O-]	ZINC000008969569	569491984	/nfs/dbraw/zinc/49/19/84/569491984.db2.gz	YESQIOQAJLUQOZ-QZTJIDSGSA-N	-1	0	433.574	1.825	50	0	biogenic	IDAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@H]3Sc2[nH]c(=O)sc2[C@@H]1c1ccco1	ZINC000245235266	569500389	/nfs/dbraw/zinc/50/03/89/569500389.db2.gz	IOYLOAKNPVOCST-YSJBTAPUSA-N	-1	0	446.506	1.977	50	0		IDAARM
C[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1ccc(S(C)(=O)=O)cc1	ZINC000069560039	569507241	/nfs/dbraw/zinc/50/72/41/569507241.db2.gz	WZWPDHZFOOGAOX-LLVKDONJSA-N	-1	0	447.498	1.276	50	0		IDAARM
CSCC[C@H](NC(=O)C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)C(=O)[O-]	ZINC000009266440	569517490	/nfs/dbraw/zinc/51/74/90/569517490.db2.gz	MSCBIGHCTPDBAI-KVULBXGLSA-N	-1	0	433.530	1.819	50	0		IDAARM
COC(=O)CNC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)[n-]1	ZINC000009410784	569531386	/nfs/dbraw/zinc/53/13/86/569531386.db2.gz	OZPISCZMVWKBCI-UHFFFAOYSA-N	-1	0	426.501	1.538	50	0		IDAARM
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000009487883	569539812	/nfs/dbraw/zinc/53/98/12/569539812.db2.gz	NNSUSKCZRXNSJQ-GMBSWORKSA-N	-1	0	441.459	1.495	50	0		IDAARM
CNC(=O)c1ccc([N-]S(=O)(=O)c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1	ZINC000009508792	569542380	/nfs/dbraw/zinc/54/23/80/569542380.db2.gz	IEIOXSHLGYOGRZ-UHFFFAOYSA-N	-1	0	426.472	1.790	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1OC	ZINC000009675588	569559320	/nfs/dbraw/zinc/55/93/20/569559320.db2.gz	OSIBDANQJVOQNR-MSOLQXFVSA-N	-1	0	427.392	1.775	50	0		IDAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)c1	ZINC000009675565	569559322	/nfs/dbraw/zinc/55/93/22/569559322.db2.gz	IYJXILDGYGPSBC-OALUTQOASA-N	-1	0	439.428	1.644	50	0		IDAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1	ZINC000009675573	569559324	/nfs/dbraw/zinc/55/93/24/569559324.db2.gz	DPSISPCLGVGVBZ-OALUTQOASA-N	-1	0	439.428	1.644	50	0		IDAARM
Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c(C)n1C	ZINC000009685233	569560674	/nfs/dbraw/zinc/56/06/74/569560674.db2.gz	FAPLHFIJUPROBI-UHFFFAOYSA-N	-1	0	435.502	1.686	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(OC)c4)c=3c2=O)cc1	ZINC000009835882	569570691	/nfs/dbraw/zinc/57/06/91/569570691.db2.gz	RTYYFXIMHRVRMH-RTBURBONSA-N	-1	0	439.428	1.644	50	0		IDAARM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4ccc(C)cn4)c(C)cc32)no1	ZINC000065022609	569584908	/nfs/dbraw/zinc/58/49/08/569584908.db2.gz	ZDVNFTSVYXEFDM-UHFFFAOYSA-N	-1	0	443.485	2.370	50	0		IDAARM
CCNS(=O)(=O)c1cc(/C=C/C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)ccc1OC	ZINC000095424511	939032145	/nfs/dbraw/zinc/03/21/45/939032145.db2.gz	JNUSKEGSFJMIKN-PKNBQFBNSA-N	-1	0	444.509	1.745	50	0		IDAARM
Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc12	ZINC000207124132	939043122	/nfs/dbraw/zinc/04/31/22/939043122.db2.gz	QHHBVIGRDJSDLL-LHSJRXKWSA-N	-1	0	438.436	1.927	50	0		IDAARM
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@@]1(C3)C(=O)[N-]C(=O)NC1=O	ZINC000009087918	132302448	/nfs/dbraw/zinc/30/24/48/132302448.db2.gz	FTJWRGBHGALMTH-MRXNPFEDSA-N	-1	0	429.436	1.856	50	0		IDAARM
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)Nc4cccnc4)CC3)nc21	ZINC000009422379	132316547	/nfs/dbraw/zinc/31/65/47/132316547.db2.gz	XLFZFIUCUHUBTE-UHFFFAOYSA-N	-1	0	439.501	1.424	50	0		IDAARM
C[C@H]1Cn2c(nc3c2c(=O)n(CC(=O)[O-])c(=O)n3C)N(c2ccc(Br)cc2)C1	ZINC000010271966	132335293	/nfs/dbraw/zinc/33/52/93/132335293.db2.gz	DSQJCAXCHILRJR-SNVBAGLBSA-N	-1	0	448.277	1.532	50	0		IDAARM
CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])CC1	ZINC000012866906	518823505	/nfs/dbraw/zinc/82/35/05/518823505.db2.gz	PWKRNKJUOWBNNU-KRWDZBQOSA-N	-1	0	449.504	1.267	50	0	biogenic	IDAARM
CC(C)C[C@@H](NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000012296161	519244497	/nfs/dbraw/zinc/24/44/97/519244497.db2.gz	DAIGAFPLDLTFCH-CVEARBPZSA-N	-1	0	433.461	1.046	50	0	biogenic	IDAARM
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1	ZINC000096925206	521991270	/nfs/dbraw/zinc/99/12/70/521991270.db2.gz	ASDRZOVRJZCORG-YHYXMXQVSA-N	-1	0	436.511	1.786	50	0		IDAARM
CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)[N-]C[C@H]2CCCO2)s1	ZINC000020486135	523056878	/nfs/dbraw/zinc/05/68/78/523056878.db2.gz	RVELTOKXBAMYBM-ZIAGYGMSSA-N	-1	0	426.520	1.792	50	0		IDAARM
CC[C@@H](Sc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccc(OC)cc1)C(=O)[O-]	ZINC000012531190	523084812	/nfs/dbraw/zinc/08/48/12/523084812.db2.gz	BIJVTWLWOMNVAH-CQSZACIVSA-N	-1	0	432.502	1.640	50	0		IDAARM
CN1CCc2c3ccccc3[nH]c2[C@@H]1c1c([O-])[nH]c(=O)n(I)c1=O	ZINC000020611860	523996991	/nfs/dbraw/zinc/99/69/91/523996991.db2.gz	YWQHYPHUSFBFLL-ZDUSSCGKSA-N	-1	0	438.225	1.499	50	0	biogenic	IDAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N2CCOCC2)cc1	ZINC000022503290	524645756	/nfs/dbraw/zinc/64/57/56/524645756.db2.gz	OHMALYGTOKXHIE-HNNXBMFYSA-N	-1	0	448.497	1.900	50	0		IDAARM
CS(=O)(=O)[N-]c1nc2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2s1	ZINC000012324102	525227737	/nfs/dbraw/zinc/22/77/37/525227737.db2.gz	SIEFZVQDHLDGDL-UHFFFAOYSA-N	-1	0	440.528	1.245	50	0		IDAARM
Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)cc2Cl)c(=O)n3C)n1CC(=O)[O-]	ZINC000012575025	525942612	/nfs/dbraw/zinc/94/26/12/525942612.db2.gz	SFINIGAKLFGMEO-UHFFFAOYSA-N	-1	0	436.255	1.898	50	0		IDAARM
COc1cccc(N2C[C@@H](NC(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)CC2=O)c1	ZINC000012180155	526161906	/nfs/dbraw/zinc/16/19/06/526161906.db2.gz	SUSRLXYJSCDXEF-HNNXBMFYSA-N	-1	0	446.485	1.447	50	0		IDAARM
Cn1c2ccc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2n(C)c1=O	ZINC000041091408	527104891	/nfs/dbraw/zinc/10/48/91/527104891.db2.gz	LNTCMUQRCOMGGU-MRXNPFEDSA-N	-1	0	428.470	1.333	50	0		IDAARM
COc1ccc(C(=O)Cn2c3ccccc3n3nc(CCC(=O)[O-])c(=O)nc23)cc1OC	ZINC000001117086	555634889	/nfs/dbraw/zinc/63/48/89/555634889.db2.gz	YGCQRVMVJWRURD-UHFFFAOYSA-N	-1	0	436.424	1.962	50	0		IDAARM
O=C(NCC1(N2CCOCC2)CCCCC1)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2	ZINC000071890335	555743751	/nfs/dbraw/zinc/74/37/51/555743751.db2.gz	AMOQLRZXMFNKAU-UHFFFAOYSA-N	-1	0	446.533	1.146	50	0		IDAARM
O=C(c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)N1CCN(c2ccccc2F)CC1	ZINC000071890333	555743840	/nfs/dbraw/zinc/74/38/40/555743840.db2.gz	UUPMKGXSOQDIHN-UHFFFAOYSA-N	-1	0	428.449	1.483	50	0		IDAARM
O=C([O-])/C=C/C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1	ZINC000002650295	555791184	/nfs/dbraw/zinc/79/11/84/555791184.db2.gz	WHADDUZFGJTOFT-ONEGZZNKSA-N	-1	0	426.800	1.833	50	0		IDAARM
Cc1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccccc1C(N)=O	ZINC000013692090	556281794	/nfs/dbraw/zinc/28/17/94/556281794.db2.gz	RWOUBRHQSQLALQ-GFCCVEGCSA-N	-1	0	437.499	1.207	50	0		IDAARM
COc1cccc([N-]S(=O)(=O)c2cc(N3C(=O)[C@@H](C)CS3(=O)=O)ccc2OC)c1	ZINC000013734440	556297216	/nfs/dbraw/zinc/29/72/16/556297216.db2.gz	NHTMUVAIPOSNFT-LBPRGKRZSA-N	-1	0	440.499	1.817	50	0		IDAARM
O=C([O-])CN1C(=O)/C(=c2\sc3nc(-c4cccc(Cl)c4)nn3c2=O)c2ccccc21	ZINC000013751493	556299424	/nfs/dbraw/zinc/29/94/24/556299424.db2.gz	DLZRQFVLQWRMLO-NXVVXOECSA-N	-1	0	438.852	1.821	50	0		IDAARM
Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccccc3C(=O)[O-])CC2)cc1	ZINC000011566389	556342323	/nfs/dbraw/zinc/34/23/23/556342323.db2.gz	YKESKIJUTKENHJ-UHFFFAOYSA-N	-1	0	432.498	1.857	50	0		IDAARM
Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)c1	ZINC000032592734	556406924	/nfs/dbraw/zinc/40/69/24/556406924.db2.gz	JUYWKAKEKBEGQM-UHFFFAOYSA-N	-1	0	443.441	1.093	50	0		IDAARM
O=c1c(C(c2ccc(O)cc2)c2c(O)nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000013142161	556487084	/nfs/dbraw/zinc/48/70/84/556487084.db2.gz	HHLKNIHHCKQDTP-UHFFFAOYSA-N	-1	0	444.494	1.308	50	0		IDAARM
CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)cc2C[C@H]1C	ZINC000013460085	556506470	/nfs/dbraw/zinc/50/64/70/556506470.db2.gz	CHMFRLSYKZFPNS-GFCCVEGCSA-N	-1	0	431.470	1.599	50	0		IDAARM
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCc2n[nH]c(=O)[n-]2)cc1OC	ZINC000072306738	556560342	/nfs/dbraw/zinc/56/03/42/556560342.db2.gz	QBPGXRDNNJZGGK-UHFFFAOYSA-N	-1	0	434.456	1.940	50	0		IDAARM
Cc1c(C)[n+]([O-])c([C@@H](c2cccc(OC(F)F)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C	ZINC000409415455	556641904	/nfs/dbraw/zinc/64/19/04/556641904.db2.gz	KFUPDMMZPSLGQB-AWEZNQCLSA-N	-1	0	436.415	1.675	50	0		IDAARM
CC(C)N1CCN(C(=O)c2snc3c2nc([O-])n(Cc2ccc(F)cc2)c3=O)CC1	ZINC000097939267	556652074	/nfs/dbraw/zinc/65/20/74/556652074.db2.gz	YEVBPWDAHNXMFV-UHFFFAOYSA-N	-1	0	431.493	1.912	50	0		IDAARM
CS(=O)(=O)Nc1ccc(N2CCN(CC(=O)N3CCCCCC3)CC2)cc1C(=O)[O-]	ZINC000033006941	556655652	/nfs/dbraw/zinc/65/56/52/556655652.db2.gz	HFMPWSCBPMXPRY-UHFFFAOYSA-N	-1	0	438.550	1.281	50	0		IDAARM
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000017095120	556658621	/nfs/dbraw/zinc/65/86/21/556658621.db2.gz	QWIJURZRRRIRDV-MEQXXCBNSA-N	-1	0	426.804	1.338	50	0		IDAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c1	ZINC000011858199	556663318	/nfs/dbraw/zinc/66/33/18/556663318.db2.gz	BIOSIESXIMUWPN-LBPRGKRZSA-N	-1	0	440.499	1.817	50	0		IDAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1	ZINC000011906343	556671612	/nfs/dbraw/zinc/67/16/12/556671612.db2.gz	RRTVHFCVSFXNRT-UHFFFAOYSA-N	-1	0	439.515	1.629	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)c1	ZINC000033023756	556693948	/nfs/dbraw/zinc/69/39/48/556693948.db2.gz	YOCWDOYFYKPVSS-HNNXBMFYSA-N	-1	0	432.458	1.423	50	0		IDAARM
O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000003380344	556814163	/nfs/dbraw/zinc/81/41/63/556814163.db2.gz	SVBZZUKFHKRKSU-UHFFFAOYSA-N	-1	0	436.453	1.626	50	0		IDAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)c1ccccc1	ZINC000033330797	557113940	/nfs/dbraw/zinc/11/39/40/557113940.db2.gz	XTDIMPNTOXUQGZ-LBPRGKRZSA-N	-1	0	428.470	1.663	50	0		IDAARM
Cn1c(=O)oc2ccc(S(=O)(=O)[N-]c3cnn(C[C@@H]4COc5ccccc5O4)c3)cc21	ZINC000206848058	557166400	/nfs/dbraw/zinc/16/64/00/557166400.db2.gz	FJRJQFOVIAZTRK-CQSZACIVSA-N	-1	0	442.453	1.969	50	0		IDAARM
CCN1C(=O)C[C@H](N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)C1=O	ZINC000025059172	557192766	/nfs/dbraw/zinc/19/27/66/557192766.db2.gz	LVTXFKKAGYPRHE-SFHVURJKSA-N	-1	0	444.463	1.128	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2	ZINC000101169303	557259261	/nfs/dbraw/zinc/25/92/61/557259261.db2.gz	AFGXUIHMTQMHMH-QZTJIDSGSA-N	-1	0	443.366	1.668	50	0		IDAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1	ZINC000101169822	557259418	/nfs/dbraw/zinc/25/94/18/557259418.db2.gz	DPSISPCLGVGVBZ-RBUKOAKNSA-N	-1	0	439.428	1.644	50	0		IDAARM
COc1cc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(C)=O)cc(OC)c1OC	ZINC000101495070	557288480	/nfs/dbraw/zinc/28/84/80/557288480.db2.gz	GIHMQDFFTQNRKW-LBPRGKRZSA-N	-1	0	434.474	1.872	50	0		IDAARM
Cc1nnc([N-][C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)s1	ZINC000101656118	557293543	/nfs/dbraw/zinc/29/35/43/557293543.db2.gz	CWXASFDLWVPAQF-INIZCTEOSA-N	-1	0	438.391	1.567	50	0		IDAARM
O=C1Nc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)[C@@]1([N-]c1ncccn1)C(F)(F)F	ZINC000101665896	557293827	/nfs/dbraw/zinc/29/38/27/557293827.db2.gz	VUPPVOCLWDLORV-SFHVURJKSA-N	-1	0	432.362	1.391	50	0		IDAARM
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCC(C)CC3)[n-]c2=O)cc1	ZINC000012033200	557524481	/nfs/dbraw/zinc/52/44/81/557524481.db2.gz	JPHHYQIYXBAWBA-UHFFFAOYSA-N	-1	0	431.518	1.964	50	0		IDAARM
COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@H]23)c(OC)c1	ZINC000106937993	557534049	/nfs/dbraw/zinc/53/40/49/557534049.db2.gz	RLIAYFATZPZDJF-XSLAGTTESA-N	-1	0	440.408	1.305	50	0		IDAARM
NC1=C2C(=O)Oc3cc(O)ccc3[C@@H]2[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2S1	ZINC000107165758	557534727	/nfs/dbraw/zinc/53/47/27/557534727.db2.gz	LBTMGQXXYSQZIH-IJEWVQPXSA-N	-1	0	438.417	1.568	50	0		IDAARM
CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)Cc2ccccc2S(C)(=O)=O)c1	ZINC000225390708	557717737	/nfs/dbraw/zinc/71/77/37/557717737.db2.gz	RXZCLVWPOLLNAN-UHFFFAOYSA-N	-1	0	429.903	1.994	50	0		IDAARM
COCCN1C(=O)NC(=O)[C@@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O	ZINC000229901887	557833884	/nfs/dbraw/zinc/83/38/84/557833884.db2.gz	XXVALQCLLLNFGZ-RDPSFJRHSA-N	-1	0	434.496	1.649	50	0		IDAARM
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1	ZINC000008686684	562962794	/nfs/dbraw/zinc/96/27/94/562962794.db2.gz	XVQIDARHBXCMAX-UHFFFAOYSA-N	-1	0	440.499	1.515	50	0		IDAARM
Cc1c(C)c2c(OCC(=O)NCC(=O)NCC(=O)[O-])cc3c(c2oc1=O)CCC(C)(C)O3	ZINC000008877450	562965567	/nfs/dbraw/zinc/96/55/67/562965567.db2.gz	BOLPOSIDHHGXRN-UHFFFAOYSA-N	-1	0	446.456	1.209	50	0	biogenic	IDAARM
C[C@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000009159069	562967883	/nfs/dbraw/zinc/96/78/83/562967883.db2.gz	ITTCLBHTTYJURL-YJBOKZPZSA-N	-1	0	447.532	1.950	50	0		IDAARM
O=C(Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3cccnc3)ccc21)N1CCOCC1	ZINC000085651687	568831426	/nfs/dbraw/zinc/83/14/26/568831426.db2.gz	JVFARDNAGKNZFG-UHFFFAOYSA-N	-1	0	434.499	1.118	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-]	ZINC000015956459	568859886	/nfs/dbraw/zinc/85/98/86/568859886.db2.gz	GLNCOTXYXGERHA-FKIZINRSSA-N	-1	0	444.484	1.701	50	0		IDAARM
CC[C@@H](C)C1C(=O)N=C(SCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)N=C1[O-]	ZINC000015958247	568860251	/nfs/dbraw/zinc/86/02/51/568860251.db2.gz	QGOFAJNZBOKJRV-MCIONIFRSA-N	-1	0	430.530	1.889	50	0		IDAARM
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1	ZINC000006203216	568879185	/nfs/dbraw/zinc/87/91/85/568879185.db2.gz	AVCYYJSEDUKFTM-LBPRGKRZSA-N	-1	0	444.560	1.554	50	0		IDAARM
Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000035343883	568880562	/nfs/dbraw/zinc/88/05/62/568880562.db2.gz	LLRKUQFMSXJMAR-UHFFFAOYSA-N	-1	0	440.499	1.515	50	0		IDAARM
COCCn1c(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2[n-]c1=S	ZINC000103963123	568900138	/nfs/dbraw/zinc/90/01/38/568900138.db2.gz	DZGNTJAGPBJFOT-UHFFFAOYSA-N	-1	0	442.497	1.523	50	0		IDAARM
CN(C)C(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1	ZINC000064589547	568935024	/nfs/dbraw/zinc/93/50/24/568935024.db2.gz	NSNHCYJSZHZQOZ-UHFFFAOYSA-N	-1	0	428.464	1.986	50	0		IDAARM
COc1ccc(C(=O)Nc2ccc(N3CCN(CC(=O)N(C)C)CC3)cc2C(=O)[O-])cc1	ZINC000064590263	568935154	/nfs/dbraw/zinc/93/51/54/568935154.db2.gz	MUQZFEMJTGGYMY-UHFFFAOYSA-N	-1	0	440.500	1.856	50	0		IDAARM
CCSc1nnc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)OC)s1	ZINC000064818766	568965497	/nfs/dbraw/zinc/96/54/97/568965497.db2.gz	RWHTZNSDGHKJRX-UHFFFAOYSA-N	-1	0	430.489	1.532	50	0		IDAARM
CN(C)C(=O)CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Cl)ccc23)CC1	ZINC000036358663	569085293	/nfs/dbraw/zinc/08/52/93/569085293.db2.gz	IZYNBOBEIYSICL-IBGZPJMESA-N	-1	0	436.896	1.211	50	0		IDAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21	ZINC000036365680	569086985	/nfs/dbraw/zinc/08/69/85/569086985.db2.gz	KIQHVXKXTMTKIN-NRFANRHFSA-N	-1	0	428.489	1.092	50	0		IDAARM
CCOC(=O)c1c(C)[n-]n2c1nc(CN[C@@H](C(=O)OC)c1ccc(OC)c(O)c1)cc2=O	ZINC000170598096	569142272	/nfs/dbraw/zinc/14/22/72/569142272.db2.gz	ZZCJRJIYFFACOF-GOSISDBHSA-N	-1	0	444.444	1.226	50	0		IDAARM
NC(=O)c1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)cc1	ZINC000013576424	569155860	/nfs/dbraw/zinc/15/58/60/569155860.db2.gz	XCQRFNGCIVMZAI-FDMDGMSGSA-N	-1	0	439.449	1.789	50	0		IDAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCC2	ZINC000017109143	569174028	/nfs/dbraw/zinc/17/40/28/569174028.db2.gz	DGBYYYGBZCPLMB-UHFFFAOYSA-N	-1	0	437.499	1.503	50	0		IDAARM
O=C([O-])[C@@H]1CCCN1C(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1	ZINC000002100426	569179706	/nfs/dbraw/zinc/17/97/06/569179706.db2.gz	MYEBSGLHYINPDK-KRWDZBQOSA-N	-1	0	428.441	1.242	50	0		IDAARM
CC(C)[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@H](C)C(=O)[O-]	ZINC000002146572	569186970	/nfs/dbraw/zinc/18/69/70/569186970.db2.gz	OIQGFFMZWQWBET-XCLFUZPHSA-N	-1	0	444.484	1.781	50	0	biogenic	IDAARM
Cn1c(=O)c(=O)[nH]c2cc(CCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc21	ZINC000252571975	569191176	/nfs/dbraw/zinc/19/11/76/569191176.db2.gz	YPGAWXCHXSGMGI-GOSISDBHSA-N	-1	0	434.452	1.865	50	0		IDAARM
CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3NCCc4cc(OC)c(OC)cc43)c2=O)cc1	ZINC000020113891	569334579	/nfs/dbraw/zinc/33/45/79/569334579.db2.gz	GSVXWGPGZDCDBV-HXUWFJFHSA-N	-1	0	439.468	1.882	50	0	biogenic	IDAARM
O=C([O-])c1ccccc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2Cc3ccccc3O2)CC1	ZINC000095424298	569365863	/nfs/dbraw/zinc/36/58/63/569365863.db2.gz	GEFPHXVAMUMPHI-QGZVFWFLSA-N	-1	0	444.509	1.905	50	0		IDAARM
CCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)[nH]n2)c(OC)c1	ZINC000095445232	569367098	/nfs/dbraw/zinc/36/70/98/569367098.db2.gz	FOVBDXLEVPPTMM-UHFFFAOYSA-N	-1	0	428.414	2.000	50	0		IDAARM
O=C([O-])c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3OCC3CC3)CC2)o1	ZINC000095970468	569377320	/nfs/dbraw/zinc/37/73/20/569377320.db2.gz	PUOQWTKLOARLCI-UHFFFAOYSA-N	-1	0	434.470	1.913	50	0		IDAARM
COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096221767	569387076	/nfs/dbraw/zinc/38/70/76/569387076.db2.gz	LBPHFKKQFXDSMJ-CYBMUJFWSA-N	-1	0	443.408	1.757	50	0	biogenic	IDAARM
COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096221766	569387092	/nfs/dbraw/zinc/38/70/92/569387092.db2.gz	LBPHFKKQFXDSMJ-ZDUSSCGKSA-N	-1	0	443.408	1.757	50	0	biogenic	IDAARM
Cc1nn(CCC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@@H]23)c(C)c1Br	ZINC000002785976	569421313	/nfs/dbraw/zinc/42/13/13/569421313.db2.gz	XUYFIZCSLJANOL-DOMZBBRYSA-N	-1	0	443.323	1.411	50	0		IDAARM
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217648868	569450813	/nfs/dbraw/zinc/45/08/13/569450813.db2.gz	QPTDTKPACBLXDE-ZDUSSCGKSA-N	-1	0	433.413	1.422	50	0	biogenic	IDAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000217873722	569454376	/nfs/dbraw/zinc/45/43/76/569454376.db2.gz	ZETPMYBEMRJTHC-OAHLLOKOSA-N	-1	0	428.397	1.759	50	0	biogenic	IDAARM
CC(C)C[C@@H](C(=O)NCC(=O)[O-])N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O	ZINC000008789898	569475993	/nfs/dbraw/zinc/47/59/93/569475993.db2.gz	RPGJWOKKMHWDTL-AOMKIAJQSA-N	-1	0	426.473	1.819	50	0	biogenic	IDAARM
COc1cc(OC)c2c(C)c(CC(=O)NCC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc2c1	ZINC000008790611	569476099	/nfs/dbraw/zinc/47/60/99/569476099.db2.gz	VXKYNAQHEZBAKI-UHFFFAOYSA-N	-1	0	446.456	1.101	50	0	biogenic	IDAARM
CN(CC(=O)[O-])C(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1	ZINC000008918216	569486239	/nfs/dbraw/zinc/48/62/39/569486239.db2.gz	WILUEUUXPVZPOG-SFHVURJKSA-N	-1	0	447.532	1.904	50	0	biogenic	IDAARM
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008971094	569492717	/nfs/dbraw/zinc/49/27/17/569492717.db2.gz	XUZXPOWLUXOUAD-DLBZAZTESA-N	-1	0	446.504	1.249	50	0	biogenic	IDAARM
O=C([O-])c1ccccc1C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccccn1	ZINC000009061181	569499626	/nfs/dbraw/zinc/49/96/26/569499626.db2.gz	VZTRDZWHTLWPJH-UHFFFAOYSA-N	-1	0	433.486	1.084	50	0		IDAARM
Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2C(C)C)[n-]c1=O	ZINC000009427208	569533314	/nfs/dbraw/zinc/53/33/14/569533314.db2.gz	WABABUGVUPEUST-KRWDZBQOSA-N	-1	0	437.547	1.081	50	0		IDAARM
O=C(Cn1cnc2sccc2c1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009671976	569558671	/nfs/dbraw/zinc/55/86/71/569558671.db2.gz	JXYWXPBXCTVQLN-UHFFFAOYSA-N	-1	0	442.482	1.688	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1OC	ZINC000009675690	569559350	/nfs/dbraw/zinc/55/93/50/569559350.db2.gz	HOVNRZDOSVQSFF-MSOLQXFVSA-N	-1	0	445.382	1.914	50	0		IDAARM
CC[C@@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)[O-]	ZINC000009723108	569563552	/nfs/dbraw/zinc/56/35/52/569563552.db2.gz	QCAGHEZWUZTRPN-FZKQIMNGSA-N	-1	0	442.534	1.720	50	0		IDAARM
COCC(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2OC)c1	ZINC000009511932	132319910	/nfs/dbraw/zinc/31/99/10/132319910.db2.gz	LRGRBDZMNQGCPT-UHFFFAOYSA-N	-1	0	435.502	1.918	50	0		IDAARM
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	ZINC000012866560	519387611	/nfs/dbraw/zinc/38/76/11/519387611.db2.gz	DSYKOLXYZDJCGD-KBMXLJTQSA-N	-1	0	443.541	1.115	50	0	biogenic	IDAARM
CCOc1ccccc1-n1c(=O)[nH]c([O-])c([C@H]2NCCc3cc(OC)c(OC)cc32)c1=O	ZINC000020533320	521443720	/nfs/dbraw/zinc/44/37/20/521443720.db2.gz	WMAYRRXFEDSKDT-FQEVSTJZSA-N	-1	0	439.468	1.882	50	0		IDAARM
COC(=O)c1sc2[nH]c(-c3cccc(S(=O)(=O)NCC(=O)[O-])c3)nc(=O)c2c1C	ZINC000012810035	522432454	/nfs/dbraw/zinc/43/24/54/522432454.db2.gz	VDRKOAFILMOFDK-UHFFFAOYSA-N	-1	0	437.455	1.110	50	0		IDAARM
COc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1	ZINC000021866011	523698101	/nfs/dbraw/zinc/69/81/01/523698101.db2.gz	RRVZHBQQOBWJMY-UHFFFAOYSA-N	-1	0	433.530	1.866	50	0		IDAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)c1	ZINC000021154306	524869686	/nfs/dbraw/zinc/86/96/86/524869686.db2.gz	RBMQEGVNSDSCGF-UHFFFAOYSA-N	-1	0	437.518	1.932	50	0		IDAARM
C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000012881624	525185314	/nfs/dbraw/zinc/18/53/14/525185314.db2.gz	NNNPVAYTYDQJFO-GCYOBHRFSA-N	-1	0	431.514	1.615	50	0	biogenic	IDAARM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)cc1OC	ZINC000022875331	525213718	/nfs/dbraw/zinc/21/37/18/525213718.db2.gz	XCJCPPSKBDLPAE-KRWDZBQOSA-N	-1	0	433.534	1.521	50	0		IDAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)N[C@@H]1CCS(=O)(=O)C1	ZINC000012324083	527338406	/nfs/dbraw/zinc/33/84/06/527338406.db2.gz	PQIWYKZAUVSKRW-LLVKDONJSA-N	-1	0	449.963	1.443	50	0		IDAARM
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)Nc3cccc(NC(=O)C4CC4)c3)cc21	ZINC000023144827	527607771	/nfs/dbraw/zinc/60/77/71/527607771.db2.gz	WSYOLJUQNBRLRS-UHFFFAOYSA-N	-1	0	445.453	1.646	50	0		IDAARM
CCOC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2[O-])cc1	ZINC000001020330	555603360	/nfs/dbraw/zinc/60/33/60/555603360.db2.gz	FGUKIVFXUXQJMK-UHFFFAOYSA-N	-1	0	434.470	1.842	50	0		IDAARM
Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c(C)c1-n1cnnn1	ZINC000004502519	555998425	/nfs/dbraw/zinc/99/84/25/555998425.db2.gz	GGJHTJXLORHYON-INIZCTEOSA-N	-1	0	433.465	1.701	50	0		IDAARM
O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2ncccn2)CC1	ZINC000002975389	556153235	/nfs/dbraw/zinc/15/32/35/556153235.db2.gz	CPBNVANEMTWRNA-UHFFFAOYSA-N	-1	0	440.485	1.317	50	0		IDAARM
CC(C)CN1C[C@H](OCc2ccccc2)CN(C(=O)C[C@H]2SC(=O)[N-]C2=O)CC1=O	ZINC000014750519	556443358	/nfs/dbraw/zinc/44/33/58/556443358.db2.gz	NELUIUBEPXOQAQ-DLBZAZTESA-N	-1	0	433.530	1.640	50	0		IDAARM
O=C([O-])CNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)o1	ZINC000013512117	556510582	/nfs/dbraw/zinc/51/05/82/556510582.db2.gz	WXWCIXQVJLTWEB-BJMVGYQFSA-N	-1	0	437.202	1.743	50	0		IDAARM
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc2nc(N3CCOCC3)sc2c1	ZINC000032895088	556514640	/nfs/dbraw/zinc/51/46/40/556514640.db2.gz	YIFZDVLWLLPULT-UHFFFAOYSA-N	-1	0	437.503	1.834	50	0		IDAARM
CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCc1ccc(C(=O)[O-])cc1)n2C	ZINC000032721874	556547491	/nfs/dbraw/zinc/54/74/91/556547491.db2.gz	MZQJMXNROPYXCD-UHFFFAOYSA-N	-1	0	444.513	1.771	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)cc1	ZINC000011858341	556663947	/nfs/dbraw/zinc/66/39/47/556663947.db2.gz	OWMQFYDOIUQLDG-UHFFFAOYSA-N	-1	0	426.472	1.571	50	0		IDAARM
O=C([O-])C=CC(=O)N(Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O	ZINC000018084470	556683312	/nfs/dbraw/zinc/68/33/12/556683312.db2.gz	IDMQRVXGXLPBMG-KXPUMZMLSA-N	-1	0	440.383	1.856	50	0		IDAARM
CC(=O)O[C@@H]1CO[C@H](n2cc(C(=O)C(=O)[O-])c3ccccc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000013550963	556697083	/nfs/dbraw/zinc/69/70/83/556697083.db2.gz	GKASZHXFBQGIKI-LMCOJAPRSA-N	-1	0	447.396	1.233	50	0		IDAARM
CS(=O)(=O)Nc1ccc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C(=O)[O-])c1	ZINC000033253066	556893550	/nfs/dbraw/zinc/89/35/50/556893550.db2.gz	OYIFSEYZKINMAQ-UHFFFAOYSA-N	-1	0	433.486	1.807	50	0		IDAARM
COCC(=O)Nc1ccc2nc(N3CCN(CC(=O)NC(C)C)CC3)cc(C(=O)[O-])c2c1	ZINC000033260721	556897506	/nfs/dbraw/zinc/89/75/06/556897506.db2.gz	RUHMHDBSDRDRKD-UHFFFAOYSA-N	-1	0	443.504	1.165	50	0		IDAARM
CCN(CC)C(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(C)=O)ccc3n2)CC1	ZINC000033260791	556897621	/nfs/dbraw/zinc/89/76/21/556897621.db2.gz	WOXFMUPPVIESNE-UHFFFAOYSA-N	-1	0	427.505	1.882	50	0		IDAARM
CC(C)(C)NC(=O)CN1CCN(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)CC1	ZINC000023646139	557102470	/nfs/dbraw/zinc/10/24/70/557102470.db2.gz	YPFNDVPFVHFMBU-UHFFFAOYSA-N	-1	0	431.562	1.508	50	0		IDAARM
O=C(c1snc2c1nc([O-])n(Cc1ccccc1)c2=O)N1CCN(c2ccccn2)CC1	ZINC000049409914	557105270	/nfs/dbraw/zinc/10/52/70/557105270.db2.gz	DRNGSIBMDYQPLG-UHFFFAOYSA-N	-1	0	448.508	1.964	50	0		IDAARM
COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])n2)c(F)c1	ZINC000049547017	557112125	/nfs/dbraw/zinc/11/21/25/557112125.db2.gz	SERWTHKECZDULB-IBGZPJMESA-N	-1	0	425.416	1.870	50	0		IDAARM
COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)c1	ZINC000049609510	557115539	/nfs/dbraw/zinc/11/55/39/557115539.db2.gz	RZKLAYQLANVILY-UHFFFAOYSA-N	-1	0	426.516	1.970	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1cccc(F)c1	ZINC000095481498	557157508	/nfs/dbraw/zinc/15/75/08/557157508.db2.gz	QBYBDDBHNXSDPH-ROUUACIJSA-N	-1	0	425.376	1.529	50	0		IDAARM
CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000101012155	557213652	/nfs/dbraw/zinc/21/36/52/557213652.db2.gz	KLRWODOACYEKKV-KOLCDFICSA-N	-1	0	442.169	1.065	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc6c(c5)OCO6)no4)c=3c2=O)cc1	ZINC000101274908	557266061	/nfs/dbraw/zinc/26/60/61/557266061.db2.gz	BVSFBAGGHJTHRS-ROUUACIJSA-N	-1	0	448.395	1.967	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc6c(c5)OCO6)no4)c=3c2=O)cc1	ZINC000101274909	557266184	/nfs/dbraw/zinc/26/61/84/557266184.db2.gz	BVSFBAGGHJTHRS-MSOLQXFVSA-N	-1	0	448.395	1.967	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(C)cc4)c=3c2=O)cc1OC	ZINC000101390244	557282901	/nfs/dbraw/zinc/28/29/01/557282901.db2.gz	OGHYYWRBRHLBDP-UXHICEINSA-N	-1	0	437.456	1.622	50	0		IDAARM
COc1cc([C@H]2CC(c3c([O-])n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2)cc(OC)c1O	ZINC000101762399	557297047	/nfs/dbraw/zinc/29/70/47/557297047.db2.gz	HKCKCEUHOJBPHE-CQSZACIVSA-N	-1	0	438.440	1.452	50	0		IDAARM
COc1ccc(OC)c([C@H]2CC(c3c([O-])[nH]c(=O)n(CCc4ccccc4)c3=O)=NN2)c1	ZINC000101762549	557297222	/nfs/dbraw/zinc/29/72/22/557297222.db2.gz	KMMRIYODPHXFAK-QGZVFWFLSA-N	-1	0	436.468	1.941	50	0		IDAARM
CCN1C(=O)C[C@@H](N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)[O-])cn4CC)CC2)C1=O	ZINC000071796198	557300873	/nfs/dbraw/zinc/30/08/73/557300873.db2.gz	LVTXFKKAGYPRHE-GOSISDBHSA-N	-1	0	444.463	1.128	50	0		IDAARM
CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1	ZINC000102442245	557325854	/nfs/dbraw/zinc/32/58/54/557325854.db2.gz	NGRMHTNKLNULNF-QZTJIDSGSA-N	-1	0	439.403	1.934	50	0		IDAARM
CCS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)CC1	ZINC000036615234	557517353	/nfs/dbraw/zinc/51/73/53/557517353.db2.gz	CUZFFPRMEXIMJO-UHFFFAOYSA-N	-1	0	431.319	1.348	50	0		IDAARM
Cc1nc(CC(=O)[N-]S(=O)(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cs1	ZINC000225525953	557736021	/nfs/dbraw/zinc/73/60/21/557736021.db2.gz	XFXJMNXZXRHNBS-UHFFFAOYSA-N	-1	0	437.952	1.403	50	0		IDAARM
Cc1c(NC(=O)Cn2nc(C(=O)[O-])c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C	ZINC000003246371	562933267	/nfs/dbraw/zinc/93/32/67/562933267.db2.gz	PMSLMKMMVHGGQE-UHFFFAOYSA-N	-1	0	433.424	1.531	50	0		IDAARM
C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	ZINC000004096817	562941739	/nfs/dbraw/zinc/94/17/39/562941739.db2.gz	MUOHJTRCBBDUOW-QXYWQCSFSA-N	-1	0	448.512	1.175	50	0	endogenous,world	IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-]	ZINC000034808365	568738289	/nfs/dbraw/zinc/73/82/89/568738289.db2.gz	FYEFTAXZMDGBPL-ASSNKEHSSA-N	-1	0	444.484	1.701	50	0		IDAARM
COc1ccc([C@@H](CC(=O)N[C@@H]2CCOC2=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585714	568759101	/nfs/dbraw/zinc/75/91/01/568759101.db2.gz	LOHDEIJWLQIHAE-ZIAGYGMSSA-N	-1	0	447.440	1.633	50	0	biogenic	IDAARM
COc1ccc([C@@H](CC(=O)N[C@H]2CCOC2=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585712	568759167	/nfs/dbraw/zinc/75/91/67/568759167.db2.gz	LOHDEIJWLQIHAE-KGLIPLIRSA-N	-1	0	447.440	1.633	50	0	biogenic	IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccccc3)[C@@H]2C1=O	ZINC000239305851	568911087	/nfs/dbraw/zinc/91/10/87/568911087.db2.gz	GBYMFODZINXBOP-CQXVLEBTSA-N	-1	0	442.518	1.994	50	0		IDAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CC[NH+](C)CC3)c(C(=O)[O-])c2)c1	ZINC000064580541	568934380	/nfs/dbraw/zinc/93/43/80/568934380.db2.gz	BRNWKRJMIFPOPV-UHFFFAOYSA-N	-1	0	435.502	1.955	50	0		IDAARM
NC(=O)NCCC[C@@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-]	ZINC000036370047	569088516	/nfs/dbraw/zinc/08/85/16/569088516.db2.gz	WFUONICFBYYZQR-CYBMUJFWSA-N	-1	0	425.283	1.812	50	0	biogenic	IDAARM
Cn1c2nc(-n3[n-]c(-c4ccco4)cc3=O)n(CCCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000036390471	569096619	/nfs/dbraw/zinc/09/66/19/569096619.db2.gz	POGFTCKNAOSNJR-UHFFFAOYSA-N	-1	0	446.467	1.801	50	0		IDAARM
O=C(NC1(c2nnn[n-]2)CC1)c1sccc1S(=O)(=O)N1CCc2ccccc2C1	ZINC000170605837	569143890	/nfs/dbraw/zinc/14/38/90/569143890.db2.gz	YNPMIKJFBOORHK-UHFFFAOYSA-N	-1	0	430.515	1.427	50	0		IDAARM
Cc1cnn(-c2ccc(S(N)(=O)=O)cc2[N-]S(=O)(=O)c2cc(F)ccc2F)c1	ZINC000089702538	569161825	/nfs/dbraw/zinc/16/18/25/569161825.db2.gz	ORJPMJSQFFGHIY-UHFFFAOYSA-N	-1	0	428.442	1.907	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)[O-]	ZINC000002116862	569182545	/nfs/dbraw/zinc/18/25/45/569182545.db2.gz	HDOJBLNQEMFBRY-ODXCJYRJSA-N	-1	0	432.473	1.693	50	0	biogenic	IDAARM
CC(C)C[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NCC(=O)[O-]	ZINC000002120577	569183431	/nfs/dbraw/zinc/18/34/31/569183431.db2.gz	YUCMYBQLKQOQAJ-SFHVURJKSA-N	-1	0	444.484	1.782	50	0	biogenic	IDAARM
Cc1cc2ncc3c(n2n1)CCN(C(=O)CC[N-]S(=O)(=O)c1c(F)cccc1F)C3	ZINC000208035716	569187186	/nfs/dbraw/zinc/18/71/86/569187186.db2.gz	FXNBVWKZYQRWNO-UHFFFAOYSA-N	-1	0	435.456	1.569	50	0		IDAARM
O=C([O-])CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl	ZINC000170671310	569194657	/nfs/dbraw/zinc/19/46/57/569194657.db2.gz	RAJAOQPWSSSIQQ-UHFFFAOYSA-N	-1	0	426.878	1.902	50	0		IDAARM
C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)C(=O)N1CCOCC1	ZINC000078720273	569318605	/nfs/dbraw/zinc/31/86/05/569318605.db2.gz	PGEYOTBLLNSEEH-GFCCVEGCSA-N	-1	0	439.515	1.232	50	0		IDAARM
COc1c2c(cc3c1[C@H](c1c(=O)[nH]c(=O)n(Cc4ccccc4)c1[O-])N(C)CC3)OCO2	ZINC000020111466	569334499	/nfs/dbraw/zinc/33/44/99/569334499.db2.gz	APQDIRFZJARDGZ-GOSISDBHSA-N	-1	0	437.452	1.605	50	0	biogenic	IDAARM
O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000095431427	569366215	/nfs/dbraw/zinc/36/62/15/569366215.db2.gz	WVKNISVANMDAJY-UHFFFAOYSA-N	-1	0	449.514	1.293	50	0		IDAARM
CCCS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2nn(C)cc2C(=O)OCC)cc1F	ZINC000095995675	569378612	/nfs/dbraw/zinc/37/86/12/569378612.db2.gz	BDXNHWBOLBPGSB-UHFFFAOYSA-N	-1	0	448.498	1.688	50	0		IDAARM
Cn1cnc(-c2ccc([N-]S(=O)(=O)c3ccccc3C(=O)N3CCOCC3)cc2)n1	ZINC000096011284	569379716	/nfs/dbraw/zinc/37/97/16/569379716.db2.gz	QROUVTJCOUIMMR-UHFFFAOYSA-N	-1	0	427.486	1.755	50	0		IDAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cc2)C1	ZINC000002469198	569403918	/nfs/dbraw/zinc/40/39/18/569403918.db2.gz	NSMZQNRPHVRYOL-LLVKDONJSA-N	-1	0	426.882	1.064	50	0		IDAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1	ZINC000002469226	569403967	/nfs/dbraw/zinc/40/39/67/569403967.db2.gz	CZESLENUPQZSKM-HNNXBMFYSA-N	-1	0	434.518	1.534	50	0		IDAARM
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC[C@@H]3C(=O)[O-])c21	ZINC000670417825	569409941	/nfs/dbraw/zinc/40/99/41/569409941.db2.gz	MJKMFSGCZFGEQT-CYBMUJFWSA-N	-1	0	431.308	1.986	50	0		IDAARM
COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NCCNC(C)=O)c3=O)c2c1	ZINC000002687914	569416882	/nfs/dbraw/zinc/41/68/82/569416882.db2.gz	PEEAUEPWTGAEDJ-UHFFFAOYSA-N	-1	0	431.518	1.972	50	0		IDAARM
CN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@H]32)C1=O	ZINC000230019370	569417455	/nfs/dbraw/zinc/41/74/55/569417455.db2.gz	VTWJVPLTMXFFRO-GAJHUEQPSA-N	-1	0	429.436	1.253	50	0		IDAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cccc(F)c4N4CCOC[C@H]43)C2=O)cc1	ZINC000230156800	569439612	/nfs/dbraw/zinc/43/96/12/569439612.db2.gz	NGBGJZGLWQIINZ-JTSKRJEESA-N	-1	0	425.416	1.865	50	0		IDAARM
O=C(c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1)N1CCNC(=O)C1	ZINC000032070644	569459198	/nfs/dbraw/zinc/45/91/98/569459198.db2.gz	IIBGIPVLCKAKBT-UHFFFAOYSA-N	-1	0	434.474	1.808	50	0		IDAARM
COc1ccc(N2C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c3ccccc3)CC2=O)cc1	ZINC000008790724	569476110	/nfs/dbraw/zinc/47/61/10/569476110.db2.gz	YOZMAMAVPGOUIC-YYFZDKIDSA-N	-1	0	439.468	1.495	50	0	biogenic	IDAARM
C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc2)C[C@H](C)O1	ZINC000008849464	569479231	/nfs/dbraw/zinc/47/92/31/569479231.db2.gz	FLJSZZVMVHHJJZ-RYUDHWBXSA-N	-1	0	439.515	1.820	50	0		IDAARM
CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](CCSC)C(=O)[O-]	ZINC000008876684	569481160	/nfs/dbraw/zinc/48/11/60/569481160.db2.gz	PZDCDLRIQOKDII-QEORTHHSSA-N	-1	0	436.534	1.892	50	0	biogenic	IDAARM
COc1ccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)cc1	ZINC000008992251	569495333	/nfs/dbraw/zinc/49/53/33/569495333.db2.gz	WASUNKDCQSPMFU-UHFFFAOYSA-N	-1	0	445.435	1.899	50	0		IDAARM
COc1ccc2c(C)c(CC(=O)N3CCC(C(=O)NCC(=O)[O-])CC3)c(=O)oc2c1OC	ZINC000009129512	569505784	/nfs/dbraw/zinc/50/57/84/569505784.db2.gz	KTHYJIMANSXOGA-UHFFFAOYSA-N	-1	0	446.456	1.101	50	0		IDAARM
COc1cc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)NN2)cc(OC)c1OC	ZINC000009419675	569532542	/nfs/dbraw/zinc/53/25/42/569532542.db2.gz	JFMRFWFLINGZLJ-JZYMCLRRSA-N	-1	0	444.488	1.917	50	0		IDAARM
COc1cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc(OC)c1	ZINC000009674862	569559232	/nfs/dbraw/zinc/55/92/32/569559232.db2.gz	YRIQNYYRZFVXLA-ROUUACIJSA-N	-1	0	427.392	1.775	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1OC	ZINC000009675692	569559336	/nfs/dbraw/zinc/55/93/36/569559336.db2.gz	HOVNRZDOSVQSFF-QZTJIDSGSA-N	-1	0	445.382	1.914	50	0		IDAARM
O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ccccn2)CC1	ZINC000002966829	132259678	/nfs/dbraw/zinc/25/96/78/132259678.db2.gz	WRSGSFVDJRVKAI-QGZVFWFLSA-N	-1	0	434.525	1.878	50	0		IDAARM
O=S(=O)([N-]c1nc2ccccc2nc1N1CCN(CCO)CC1)c1cc(F)ccc1F	ZINC000003440584	132265627	/nfs/dbraw/zinc/26/56/27/132265627.db2.gz	FNQNQOGJRWQDDF-UHFFFAOYSA-N	-1	0	449.483	1.823	50	0		IDAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccccc2)CC(=O)N3)cc1	ZINC000012466011	519731830	/nfs/dbraw/zinc/73/18/30/519731830.db2.gz	OSSFHLRWPVLIHT-MRXNPFEDSA-N	-1	0	426.458	1.969	50	0		IDAARM
COc1ccccc1N1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)CC1=O	ZINC000012322195	524581884	/nfs/dbraw/zinc/58/18/84/524581884.db2.gz	NHCJEFQOWJPSNF-CQSZACIVSA-N	-1	0	431.470	1.512	50	0		IDAARM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)cc1OC	ZINC000022875327	525380985	/nfs/dbraw/zinc/38/09/85/525380985.db2.gz	XCJCPPSKBDLPAE-QGZVFWFLSA-N	-1	0	433.534	1.521	50	0		IDAARM
COc1cccc(N2C[C@@H](C(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)CC2=O)c1	ZINC000012389966	526161612	/nfs/dbraw/zinc/16/16/12/526161612.db2.gz	WCPYTVBMQWXLOW-AWEZNQCLSA-N	-1	0	431.470	1.512	50	0		IDAARM
Cc1nnc(NC(=O)CSc2nc(-c3ccc4c(c3)OCO4)nc3cc(=O)[n-]n32)s1	ZINC000021537350	526362361	/nfs/dbraw/zinc/36/23/61/526362361.db2.gz	HPTRPQFCRFOBDT-UHFFFAOYSA-N	-1	0	443.470	1.704	50	0		IDAARM
O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000012531985	526715078	/nfs/dbraw/zinc/71/50/78/526715078.db2.gz	SSYYPEMPGBAZTI-HUUCEWRRSA-N	-1	0	446.510	1.834	50	0		IDAARM
O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000012561154	526716393	/nfs/dbraw/zinc/71/63/93/526716393.db2.gz	IWMLCAVOPVNHSI-IYBDPMFKSA-N	-1	0	443.485	1.391	50	0		IDAARM
O=C(c1oc2ccccc2c1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCOCC1	ZINC000014806037	526930108	/nfs/dbraw/zinc/93/01/08/526930108.db2.gz	DPRCMOJHPJDKHE-UHFFFAOYSA-N	-1	0	442.453	1.876	50	0		IDAARM
NC(=O)NCCC[C@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-]	ZINC000020762203	526935918	/nfs/dbraw/zinc/93/59/18/526935918.db2.gz	AENLXCAMDSPPBH-ZDUSSCGKSA-N	-1	0	425.283	1.812	50	0	biogenic	IDAARM
COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	ZINC000002634452	555790493	/nfs/dbraw/zinc/79/04/93/555790493.db2.gz	UWMNNUCQGFZMFZ-QGZVFWFLSA-N	-1	0	436.486	1.834	50	0		IDAARM
CCOc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1OC	ZINC000013723367	556291624	/nfs/dbraw/zinc/29/16/24/556291624.db2.gz	DNLYTXHSCBVJIC-UHFFFAOYSA-N	-1	0	440.499	1.961	50	0		IDAARM
CC(C)CN1C[C@@H](OCc2ccccc2)CN(C(=O)C[C@@H]2SC(=O)[N-]C2=O)CC1=O	ZINC000014750513	556443226	/nfs/dbraw/zinc/44/32/26/556443226.db2.gz	NELUIUBEPXOQAQ-SJORKVTESA-N	-1	0	433.530	1.640	50	0		IDAARM
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=O)[n-]2)cc1	ZINC000032871486	556463900	/nfs/dbraw/zinc/46/39/00/556463900.db2.gz	QYDTZBQVVWWXLZ-UHFFFAOYSA-N	-1	0	433.515	1.542	50	0		IDAARM
NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000030836146	556507509	/nfs/dbraw/zinc/50/75/09/556507509.db2.gz	LIEJZONPUXNLHP-MSOLQXFVSA-N	-1	0	443.456	1.065	50	0		IDAARM
CC[C@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)[O-]	ZINC000013607779	556533621	/nfs/dbraw/zinc/53/36/21/556533621.db2.gz	UUSYMCSCYXKOAE-UGSOOPFHSA-N	-1	0	439.534	1.661	50	0		IDAARM
C[C@@H](NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000015996876	556572104	/nfs/dbraw/zinc/57/21/04/556572104.db2.gz	ITTCLBHTTYJURL-CRAIPNDOSA-N	-1	0	447.532	1.950	50	0		IDAARM
O=C([O-])CCCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1	ZINC000016551795	556614992	/nfs/dbraw/zinc/61/49/92/556614992.db2.gz	YIMDFCVZGAZRML-UHFFFAOYSA-N	-1	0	425.326	1.598	50	0		IDAARM
Cc1c(C)[n+]([O-])c([C@H](c2cccc(OC(F)F)c2)c2c([O-])n(C)c(=O)n(C)c2=O)n1C	ZINC000409415456	556641989	/nfs/dbraw/zinc/64/19/89/556641989.db2.gz	KFUPDMMZPSLGQB-CQSZACIVSA-N	-1	0	436.415	1.675	50	0		IDAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c1	ZINC000011858200	556663327	/nfs/dbraw/zinc/66/33/27/556663327.db2.gz	BIOSIESXIMUWPN-GFCCVEGCSA-N	-1	0	440.499	1.817	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c(OC)c1	ZINC000011858140	556663363	/nfs/dbraw/zinc/66/33/63/556663363.db2.gz	JFCWAAZCCKDSNV-UHFFFAOYSA-N	-1	0	426.472	1.571	50	0		IDAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c1	ZINC000011858291	556663603	/nfs/dbraw/zinc/66/36/03/556663603.db2.gz	PVBAHAQZDMNMQQ-UHFFFAOYSA-N	-1	0	440.499	1.880	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-]	ZINC000011865450	556664356	/nfs/dbraw/zinc/66/43/56/556664356.db2.gz	OXOCUKWQNNKTOD-JEOXALJRSA-N	-1	0	432.473	1.780	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2c(OC)cc(OC)cc2oc1=O)C(=O)[O-]	ZINC000011865642	556665425	/nfs/dbraw/zinc/66/54/25/556665425.db2.gz	MTODOOJHFQCJAT-PRWKNARSSA-N	-1	0	448.472	1.393	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-]	ZINC000011865636	556665464	/nfs/dbraw/zinc/66/54/64/556665464.db2.gz	ADJLKUUMIVVJMV-JEOXALJRSA-N	-1	0	432.473	1.693	50	0		IDAARM
CC(=O)N[C@@H]1[C@@H](OCC(=O)[O-])[C@@H]2O[C@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccccc1	ZINC000008765461	556845928	/nfs/dbraw/zinc/84/59/28/556845928.db2.gz	DVENRNKFWMZEEL-ZPDKEIJZSA-N	-1	0	443.452	1.879	50	0	biogenic	IDAARM
COc1c2c(cc3c1[C@@H](c1c([O-])[nH]c(=O)n(-c4ccc(F)cc4)c1=O)N(C)CC3)OCO2	ZINC000019706881	556865706	/nfs/dbraw/zinc/86/57/06/556865706.db2.gz	XCONBRNXFAOYCN-KRWDZBQOSA-N	-1	0	441.415	1.685	50	0	biogenic	IDAARM
Cc1cccc(NC(=O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3C(=O)[O-])CC2)c1	ZINC000033253205	556893515	/nfs/dbraw/zinc/89/35/15/556893515.db2.gz	NTIBFIPINQETTF-UHFFFAOYSA-N	-1	0	446.529	1.825	50	0		IDAARM
CCS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NCC(C)C)CC2)cc1C(=O)[O-]	ZINC000033259918	556899065	/nfs/dbraw/zinc/89/90/65/556899065.db2.gz	AKMNRZZLCGHYNP-UHFFFAOYSA-N	-1	0	426.539	1.041	50	0		IDAARM
Cn1c(=O)cc(COC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)n(C)c1=O	ZINC000011296855	557081215	/nfs/dbraw/zinc/08/12/15/557081215.db2.gz	XLGULCJQHUQWBT-UHFFFAOYSA-N	-1	0	435.483	1.303	50	0		IDAARM
CCn1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)ccc1=O	ZINC000049362511	557094358	/nfs/dbraw/zinc/09/43/58/557094358.db2.gz	JHMPKAFQWWBIFA-UHFFFAOYSA-N	-1	0	428.474	1.723	50	0		IDAARM
COc1cc2[n-]c(=S)n(CCC(=O)N3CCC4(CC3)OCCO4)c(=O)c2cc1OC	ZINC000004767650	557098554	/nfs/dbraw/zinc/09/85/54/557098554.db2.gz	LYWPKRACWSQMPB-UHFFFAOYSA-N	-1	0	435.502	1.832	50	0		IDAARM
CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000101012151	557213644	/nfs/dbraw/zinc/21/36/44/557213644.db2.gz	KLRWODOACYEKKV-MWLCHTKSSA-N	-1	0	442.169	1.065	50	0		IDAARM
CC(C)n1c([O-])c([C@@H]2c3ccccc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O	ZINC000018039719	557232843	/nfs/dbraw/zinc/23/28/43/557232843.db2.gz	GMKGOVGULOZXML-ZDUSSCGKSA-N	-1	0	426.429	1.952	50	0		IDAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCCO5)c=3c2=O)cc1	ZINC000100033016	557238121	/nfs/dbraw/zinc/23/81/21/557238121.db2.gz	IQTAYBXSABNVRF-VQTJNVASSA-N	-1	0	435.440	1.952	50	0		IDAARM
CC(=O)O[C@@H]1CO[C@H](n2cc(C(=O)C(=O)[O-])c3ccccc32)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000101112334	557256305	/nfs/dbraw/zinc/25/63/05/557256305.db2.gz	GKASZHXFBQGIKI-GTAWCEEGSA-N	-1	0	447.396	1.233	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1OC	ZINC000101169840	557259390	/nfs/dbraw/zinc/25/93/90/557259390.db2.gz	OSIBDANQJVOQNR-ZWKOTPCHSA-N	-1	0	427.392	1.775	50	0		IDAARM
COc1cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc(OC)c1	ZINC000101174294	557260615	/nfs/dbraw/zinc/26/06/15/557260615.db2.gz	YRIQNYYRZFVXLA-ZWKOTPCHSA-N	-1	0	427.392	1.775	50	0		IDAARM
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1nc(-c2cccc(F)c2)cs1	ZINC000101186958	557262637	/nfs/dbraw/zinc/26/26/37/557262637.db2.gz	UGWUYKDCXVWABE-UKRRQHHQSA-N	-1	0	436.490	1.909	50	0		IDAARM
Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1nc(-c2cccc(F)c2)cs1	ZINC000101186954	557262777	/nfs/dbraw/zinc/26/27/77/557262777.db2.gz	UGWUYKDCXVWABE-HIFRSBDPSA-N	-1	0	436.490	1.909	50	0		IDAARM
CCN(CC)C(=S)S[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)[N-]C(C)=O)cc2)C1=O	ZINC000100122849	557318828	/nfs/dbraw/zinc/31/88/28/557318828.db2.gz	OWYPAZZUZOELLF-CQSZACIVSA-N	-1	0	443.572	1.503	50	0		IDAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C	ZINC000104041721	557449408	/nfs/dbraw/zinc/44/94/08/557449408.db2.gz	SFXHUNBJRGFEOB-SFHVURJKSA-N	-1	0	435.362	1.084	50	0		IDAARM
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)Nc3cc(C)on3)[n-]c2=O)cc1	ZINC000012033251	557524494	/nfs/dbraw/zinc/52/44/94/557524494.db2.gz	APRBUXYDCLFJAM-UHFFFAOYSA-N	-1	0	430.446	1.640	50	0		IDAARM
COCCN1C(=O)NC(=O)[C@]2(Cc3ccccc3N3CCN(c4ccccc4)C[C@H]32)C1=O	ZINC000229901892	557833948	/nfs/dbraw/zinc/83/39/48/557833948.db2.gz	XXVALQCLLLNFGZ-GBXCKJPGSA-N	-1	0	434.496	1.649	50	0		IDAARM
CCOc1ccc(NC(=O)[C@H](C)O)c([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1	ZINC000001062174	562920204	/nfs/dbraw/zinc/92/02/04/562920204.db2.gz	SNDXLAPIQDEAGW-AWEZNQCLSA-N	-1	0	449.529	1.884	50	0		IDAARM
Cn1c2nc(N[C@H](Cc3ccccc3)C(=O)[O-])n(Cc3ccccc3)c2c(=O)n(C)c1=O	ZINC000002194155	562926145	/nfs/dbraw/zinc/92/61/45/562926145.db2.gz	WRTUNDXZORICHG-QGZVFWFLSA-N	-1	0	433.468	1.590	50	0		IDAARM
COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000009545887	562973189	/nfs/dbraw/zinc/97/31/89/562973189.db2.gz	QUSSBYYREJBNIH-UHFFFAOYSA-N	-1	0	434.470	1.629	50	0		IDAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](NC(N)=O)[C@@H](C)CC)cc1	ZINC000009612567	562974189	/nfs/dbraw/zinc/97/41/89/562974189.db2.gz	ICRMLBYCFDHVIN-WFASDCNBSA-N	-1	0	427.527	1.496	50	0		IDAARM
CCOC(=O)N1CCN(C(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)CC1	ZINC000009761950	562976666	/nfs/dbraw/zinc/97/66/66/562976666.db2.gz	QINXIMZGCWRZKM-UHFFFAOYSA-N	-1	0	446.938	1.844	50	0		IDAARM
COC(=O)c1cn(-c2ccccc2[N-]S(=O)(=O)c2ccc(N3CCCC3=O)cc2)nn1	ZINC000031648129	568741213	/nfs/dbraw/zinc/74/12/13/568741213.db2.gz	JLLBKRGPPSUGRN-UHFFFAOYSA-N	-1	0	441.469	1.982	50	0		IDAARM
CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000016032669	568867597	/nfs/dbraw/zinc/86/75/97/568867597.db2.gz	YXCRQEGMDQRINR-LRTDBIEQSA-N	-1	0	444.484	1.782	50	0		IDAARM
CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-]	ZINC000016032693	568867659	/nfs/dbraw/zinc/86/76/59/568867659.db2.gz	YXFYDKGOUWOCQS-NSPYISDASA-N	-1	0	432.473	1.829	50	0		IDAARM
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000035677718	568897651	/nfs/dbraw/zinc/89/76/51/568897651.db2.gz	QWIJURZRRRIRDV-ZXHVRRQWSA-N	-1	0	426.804	1.338	50	0		IDAARM
Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H](O)C[C@H]2C(=O)[O-])c(C)cc1Cl	ZINC000241837502	568912392	/nfs/dbraw/zinc/91/23/92/568912392.db2.gz	SKRRVSPYGLAHOP-YUELXQCFSA-N	-1	0	430.910	1.156	50	0		IDAARM
COCCCNC(=O)CN1CCN(c2ccc(NC(=O)C(C)(C)C)c(C(=O)[O-])c2)CC1	ZINC000064589986	568935132	/nfs/dbraw/zinc/93/51/32/568935132.db2.gz	VOXXCMOZZPZIFE-UHFFFAOYSA-N	-1	0	434.537	1.644	50	0		IDAARM
Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N1CCOc2ccc(S(C)(=O)=O)cc21	ZINC000089575503	568937945	/nfs/dbraw/zinc/93/79/45/568937945.db2.gz	MHXXKOCRPOTGDQ-UHFFFAOYSA-N	-1	0	427.456	1.390	50	0		IDAARM
CN(C)C(=O)CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Cl)ccc23)CC1	ZINC000036358664	569085191	/nfs/dbraw/zinc/08/51/91/569085191.db2.gz	IZYNBOBEIYSICL-LJQANCHMSA-N	-1	0	436.896	1.211	50	0		IDAARM
Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1C(=O)[O-]	ZINC000036358705	569085282	/nfs/dbraw/zinc/08/52/82/569085282.db2.gz	DZANCHZFOJJHBH-FQEVSTJZSA-N	-1	0	428.489	1.242	50	0		IDAARM
CCOC(=O)c1c(C)[n-]n2c1nc(CN[C@H](C(=O)OC)c1ccc(OC)c(O)c1)cc2=O	ZINC000170598095	569142281	/nfs/dbraw/zinc/14/22/81/569142281.db2.gz	ZZCJRJIYFFACOF-SFHVURJKSA-N	-1	0	444.444	1.226	50	0		IDAARM
CCOC(=O)c1cnc([N-]S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)n1C	ZINC000170617355	569147194	/nfs/dbraw/zinc/14/71/94/569147194.db2.gz	XECIYZJUBBAGLM-UHFFFAOYSA-N	-1	0	442.519	1.182	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2c(OC)cc(OC)cc2oc1=O)C(=O)[O-]	ZINC000002160568	569188940	/nfs/dbraw/zinc/18/89/40/569188940.db2.gz	MTODOOJHFQCJAT-GIPWTMENSA-N	-1	0	448.472	1.393	50	0	biogenic	IDAARM
CCCCCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1F	ZINC000096034868	569258617	/nfs/dbraw/zinc/25/86/17/569258617.db2.gz	WMJHGZFQHPCWQZ-KHSQJDLVSA-N	-1	0	443.428	1.902	50	0		IDAARM
CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1	ZINC000253425549	569267226	/nfs/dbraw/zinc/26/72/26/569267226.db2.gz	UTFAKKJVKPKBLO-UHFFFAOYSA-N	-1	0	432.907	1.913	50	0		IDAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)CNS(=O)(=O)/C=C/c1ccc(C)cc1	ZINC000009986172	569298919	/nfs/dbraw/zinc/29/89/19/569298919.db2.gz	NMMBRKWMKNGFCE-VAWYXSNFSA-N	-1	0	446.481	1.394	50	0		IDAARM
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1	ZINC000328592079	569317195	/nfs/dbraw/zinc/31/71/95/569317195.db2.gz	WCARTRABIFRKLR-CZUORRHYSA-N	-1	0	437.497	1.804	50	0		IDAARM
CSc1ccc([C@H](CC(=O)[O-])NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1	ZINC000095989637	569378227	/nfs/dbraw/zinc/37/82/27/569378227.db2.gz	CMPQPXWNSIIETJ-INIZCTEOSA-N	-1	0	441.517	1.790	50	0		IDAARM
COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c([O-])nc2ccccn2c1=O	ZINC000096115524	569383321	/nfs/dbraw/zinc/38/33/21/569383321.db2.gz	UFGMRBODQXDWBN-OAHLLOKOSA-N	-1	0	435.436	1.956	50	0	biogenic	IDAARM
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096221045	569386772	/nfs/dbraw/zinc/38/67/72/569386772.db2.gz	AWSIOTIZCAJPLJ-CYBMUJFWSA-N	-1	0	435.429	1.668	50	0	biogenic	IDAARM
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096222389	569387255	/nfs/dbraw/zinc/38/72/55/569387255.db2.gz	GTQPMSDGOVKWQT-HNNXBMFYSA-N	-1	0	438.436	1.513	50	0	biogenic	IDAARM
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)c1	ZINC000028258767	569409592	/nfs/dbraw/zinc/40/95/92/569409592.db2.gz	NJURKQARDZKABS-UHFFFAOYSA-N	-1	0	426.834	1.813	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(SCC(=O)NC(N)=O)nc2c1	ZINC000002652054	569415021	/nfs/dbraw/zinc/41/50/21/569415021.db2.gz	IFIHNYQVWSPCHL-UHFFFAOYSA-N	-1	0	436.471	1.924	50	0		IDAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000002659694	569415963	/nfs/dbraw/zinc/41/59/63/569415963.db2.gz	DUBTZZSUNQIESW-UHFFFAOYSA-N	-1	0	445.906	1.082	50	0		IDAARM
CC(C)CN1C(=O)NC(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C1=O	ZINC000230005218	569417218	/nfs/dbraw/zinc/41/72/18/569417218.db2.gz	SFSFCPFIULJWDS-QMHKHESXSA-N	-1	0	437.500	1.925	50	0		IDAARM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@H]32)C1=O	ZINC000230019364	569417431	/nfs/dbraw/zinc/41/74/31/569417431.db2.gz	VTWJVPLTMXFFRO-SBUREZEXSA-N	-1	0	429.436	1.253	50	0		IDAARM
COC(=O)C[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217602821	569450053	/nfs/dbraw/zinc/45/00/53/569450053.db2.gz	KWQBEGKBCMLOOI-AWEZNQCLSA-N	-1	0	442.424	1.492	50	0	biogenic	IDAARM
CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000004064113	569458489	/nfs/dbraw/zinc/45/84/89/569458489.db2.gz	WYRAGOURIKGIFS-HOTGVXAUSA-N	-1	0	425.526	1.850	50	0	biogenic	IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4nc(-c5ccc6c(c5)OCO6)no4)c=3c2=O)cc1	ZINC000038655176	569465813	/nfs/dbraw/zinc/46/58/13/569465813.db2.gz	BVSFBAGGHJTHRS-QZTJIDSGSA-N	-1	0	448.395	1.967	50	0		IDAARM
CCOC(=O)N1CCN(C(=O)CCCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1	ZINC000008662234	569469919	/nfs/dbraw/zinc/46/99/19/569469919.db2.gz	VCUHPXZXFNZXNE-UHFFFAOYSA-N	-1	0	448.501	1.869	50	0		IDAARM
CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)cc1	ZINC000008761981	569474317	/nfs/dbraw/zinc/47/43/17/569474317.db2.gz	PITRTVIPSFZHBI-QGZVFWFLSA-N	-1	0	440.408	1.907	50	0	biogenic	IDAARM
CC(=O)c1ccc(NC(=O)[C@]2(CC(=O)[O-])CC(c3ccc(OCC(N)=O)cc3)=NO2)cc1	ZINC000008995401	569495658	/nfs/dbraw/zinc/49/56/58/569495658.db2.gz	ZZBKUFLCPSLZKT-JOCHJYFZSA-N	-1	0	439.424	1.730	50	0		IDAARM
CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)NCC(=O)[O-])cc2oc1=O	ZINC000009033553	569497136	/nfs/dbraw/zinc/49/71/36/569497136.db2.gz	XPDUHNYQIWFVKY-UHFFFAOYSA-N	-1	0	432.473	1.920	50	0	biogenic	IDAARM
O=C([O-])CCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1	ZINC000009306728	569521362	/nfs/dbraw/zinc/52/13/62/569521362.db2.gz	FQIYOJUCRRIIKC-CYBMUJFWSA-N	-1	0	440.547	1.853	50	0		IDAARM
O=C([O-])Cn1c(=O)c2c3c(sc2n(CC(=O)NCc2ccccc2)c1=O)CCCC3	ZINC000009410697	569531410	/nfs/dbraw/zinc/53/14/10/569531410.db2.gz	XDLXPSVCMBLGDR-UHFFFAOYSA-N	-1	0	427.482	1.505	50	0		IDAARM
CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000009487949	569539825	/nfs/dbraw/zinc/53/98/25/569539825.db2.gz	WLOYPVYDCOGEME-BEFAXECRSA-N	-1	0	433.480	1.643	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)O[C@H](C)C(N)=O)c2c1	ZINC000009546160	569546292	/nfs/dbraw/zinc/54/62/92/569546292.db2.gz	XPHDLKKYUSOJPA-LLVKDONJSA-N	-1	0	445.453	1.368	50	0		IDAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1OC	ZINC000009675267	569559254	/nfs/dbraw/zinc/55/92/54/569559254.db2.gz	AAKLZJASADXOQE-QZTJIDSGSA-N	-1	0	445.382	1.914	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(F)ccc4F)c=3c2=O)cc1OC	ZINC000009675775	569559316	/nfs/dbraw/zinc/55/93/16/569559316.db2.gz	SIDFERKYXAITDQ-ZWKOTPCHSA-N	-1	0	445.382	1.914	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1OC	ZINC000009675590	569559339	/nfs/dbraw/zinc/55/93/39/569559339.db2.gz	OSIBDANQJVOQNR-QZTJIDSGSA-N	-1	0	427.392	1.775	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1OC	ZINC000009675583	569559341	/nfs/dbraw/zinc/55/93/41/569559341.db2.gz	XYWOEQOHBSNJDB-QZTJIDSGSA-N	-1	0	427.392	1.775	50	0		IDAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)c1	ZINC000009675567	569559348	/nfs/dbraw/zinc/55/93/48/569559348.db2.gz	IYJXILDGYGPSBC-MOPGFXCFSA-N	-1	0	439.428	1.644	50	0		IDAARM
COc1ccc(-n2c3nc(-c4cccc(OC)c4[O-])nc(C(N)=O)c3[nH]c2=O)c(OC)c1	ZINC000009739301	569565014	/nfs/dbraw/zinc/56/50/14/569565014.db2.gz	HLDGFUVUKVVWQU-UHFFFAOYSA-N	-1	0	437.412	1.606	50	0		IDAARM
COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CCSC)C(=O)[O-])CC2)cc1	ZINC000009783290	569567781	/nfs/dbraw/zinc/56/77/81/569567781.db2.gz	UMCQELPOARYZFV-INIZCTEOSA-N	-1	0	430.548	1.418	50	0		IDAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1	ZINC000012180106	519679310	/nfs/dbraw/zinc/67/93/10/519679310.db2.gz	OGMPMMVCFAZGJI-MRXNPFEDSA-N	-1	0	430.486	1.747	50	0		IDAARM
CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OCC(=O)N2CCNC2=O)cc1	ZINC000021464231	521213015	/nfs/dbraw/zinc/21/30/15/521213015.db2.gz	VIGOMWMZNNMRHV-UHFFFAOYSA-N	-1	0	447.469	1.595	50	0		IDAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCNS(=O)(=O)c2ccccc2F)c1	ZINC000012797418	521690183	/nfs/dbraw/zinc/69/01/83/521690183.db2.gz	VLPQXSDKELIIPS-UHFFFAOYSA-N	-1	0	430.479	1.632	50	0		IDAARM
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(OC)c(OCC(=O)[O-])cc1Br	ZINC000016361326	522876521	/nfs/dbraw/zinc/87/65/21/522876521.db2.gz	WCBWFSRLHGQYLH-CQSZACIVSA-N	-1	0	429.223	1.722	50	0		IDAARM
COC(=O)C1CCN(C(=O)c2csc([N-]S(=O)(=O)c3ccc(OC)cc3)n2)CC1	ZINC000012628175	522913341	/nfs/dbraw/zinc/91/33/41/522913341.db2.gz	WPQOSBPBYWELJO-UHFFFAOYSA-N	-1	0	439.515	1.978	50	0		IDAARM
COc1ccc(-n2c(=O)c([C@@H]3NCCc4cc(OC)c(OC)cc43)c([O-])n(C)c2=O)cc1	ZINC000020757652	523309206	/nfs/dbraw/zinc/30/92/06/523309206.db2.gz	LEIRNUNADBUYOW-HXUWFJFHSA-N	-1	0	439.468	1.503	50	0	biogenic	IDAARM
COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2	ZINC000022765736	524595148	/nfs/dbraw/zinc/59/51/48/524595148.db2.gz	RKIWEYVLCSJPEV-RTBURBONSA-N	-1	0	437.412	1.398	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N2CCOCC2)cc1	ZINC000022503295	524643784	/nfs/dbraw/zinc/64/37/84/524643784.db2.gz	OHMALYGTOKXHIE-OAHLLOKOSA-N	-1	0	448.497	1.900	50	0		IDAARM
COc1cccc(N2C[C@H](NC(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)CC2=O)c1	ZINC000012180157	526165339	/nfs/dbraw/zinc/16/53/39/526165339.db2.gz	SUSRLXYJSCDXEF-OAHLLOKOSA-N	-1	0	446.485	1.447	50	0		IDAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc(C)cc(=O)[nH]3)cc2)n1	ZINC000002730516	555803781	/nfs/dbraw/zinc/80/37/81/555803781.db2.gz	REFAOWXVIKLTLG-UHFFFAOYSA-N	-1	0	446.514	1.708	50	0		IDAARM
CCOC(=O)C1CCN(C(=O)CCc2nnc(-c3ccc(OC)c(OC)c3)[n-]c2=O)CC1	ZINC000034766064	555906293	/nfs/dbraw/zinc/90/62/93/555906293.db2.gz	HFSODFRDPWQXNZ-UHFFFAOYSA-N	-1	0	444.488	1.996	50	0		IDAARM
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000004099172	555962271	/nfs/dbraw/zinc/96/22/71/555962271.db2.gz	PRQROPMIIGLWRP-BZSNNMDCSA-N	-1	0	437.562	1.197	50	0	in-vivo	IDAARM
Nc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)[n-]c(=O)c1NC(=O)c1ccco1	ZINC000002712525	556122458	/nfs/dbraw/zinc/12/24/58/556122458.db2.gz	JBCNLEXXJZZZRE-UHFFFAOYSA-N	-1	0	429.414	1.657	50	0		IDAARM
Cc1cc2c(cc1S(=O)(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)[O-])NC(=O)CO2	ZINC000008782691	556214940	/nfs/dbraw/zinc/21/49/40/556214940.db2.gz	RAMKHWNEZHGHEH-MRXNPFEDSA-N	-1	0	429.454	1.781	50	0	biogenic,in-vitro	IDAARM
Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)OCCO5)c(=O)c2=3)cc1	ZINC000009748124	556307828	/nfs/dbraw/zinc/30/78/28/556307828.db2.gz	QQURJDVPKTUYQZ-UXHICEINSA-N	-1	0	435.440	1.376	50	0		IDAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1Cc1ccco1	ZINC000013408457	556504805	/nfs/dbraw/zinc/50/48/05/556504805.db2.gz	XUJBHMMCFDEXEU-INIZCTEOSA-N	-1	0	426.458	1.700	50	0		IDAARM
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@@H]12	ZINC000032138824	556536797	/nfs/dbraw/zinc/53/67/97/556536797.db2.gz	KXOOYMPHUPMNSA-RTEYEHBSSA-N	-1	0	449.799	1.304	50	0		IDAARM
COc1ccc(-c2cc([N-]S(=O)(=O)c3c[nH]cn3)n([C@H]3CCS(=O)(=O)C3)n2)cc1	ZINC000011795833	556656679	/nfs/dbraw/zinc/65/66/79/556656679.db2.gz	YZNVVTZWLRARLI-ZDUSSCGKSA-N	-1	0	437.503	1.442	50	0		IDAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2C)c1	ZINC000011858111	556663224	/nfs/dbraw/zinc/66/32/24/556663224.db2.gz	CIDZIYYIVGLLOY-UHFFFAOYSA-N	-1	0	440.499	1.880	50	0		IDAARM
COc1cc(C)cc2oc(=O)c(CC(=O)N[C@H](CCCCNC(N)=O)C(=O)[O-])c(C)c12	ZINC000011865463	556665255	/nfs/dbraw/zinc/66/52/55/556665255.db2.gz	JUWDLUWPZOGUNB-CQSZACIVSA-N	-1	0	433.461	1.369	50	0		IDAARM
Cc1cc(C)nc([N-]c2nc(CC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cs2)n1	ZINC000049029479	557088996	/nfs/dbraw/zinc/08/89/96/557088996.db2.gz	KBFAGNKROUTWPY-UHFFFAOYSA-N	-1	0	446.558	1.842	50	0		IDAARM
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nn[nH]n3)[C@H]21	ZINC000604406046	557239694	/nfs/dbraw/zinc/23/96/94/557239694.db2.gz	ZCXSRPDVLKFJCC-SFHVURJKSA-N	-1	0	449.427	1.361	50	0	biogenic	IDAARM
Cc1cc(NC(=O)[C@H](C)OC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)on1	ZINC000011010548	557243249	/nfs/dbraw/zinc/24/32/49/557243249.db2.gz	OLFAYTLYDBUCAC-UONOGXRCSA-N	-1	0	446.485	1.714	50	0		IDAARM
COc1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2C(C)=O)cc1	ZINC000101456286	557286650	/nfs/dbraw/zinc/28/66/50/557286650.db2.gz	HWKVMKCWEOBUGQ-IBGZPJMESA-N	-1	0	434.452	1.997	50	0		IDAARM
COc1ccccc1[C@H]1CC(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])=NN1C(C)=O	ZINC000101456809	557287524	/nfs/dbraw/zinc/28/75/24/557287524.db2.gz	DFTFXMJQPCZQJP-GOSISDBHSA-N	-1	0	434.452	1.997	50	0		IDAARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3Br)c(=O)c1-2	ZINC000103129574	557313113	/nfs/dbraw/zinc/31/31/13/557313113.db2.gz	WZDRINMQXQMNQM-UWVGGRQHSA-N	-1	0	445.067	1.592	50	0		IDAARM
CCCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)CC)CC1	ZINC000033253262	557327600	/nfs/dbraw/zinc/32/76/00/557327600.db2.gz	WRPWXTANJMLSFN-UHFFFAOYSA-N	-1	0	426.539	1.185	50	0		IDAARM
O=C(CCNS(=O)(=O)c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000023818439	557375850	/nfs/dbraw/zinc/37/58/50/557375850.db2.gz	LEGQNKIVDAKPBI-UHFFFAOYSA-N	-1	0	437.543	1.490	50	0		IDAARM
CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1	ZINC000101174291	557455709	/nfs/dbraw/zinc/45/57/09/557455709.db2.gz	VTCXGOMCZWQORZ-QZTJIDSGSA-N	-1	0	439.403	1.934	50	0		IDAARM
CCOc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@@H]3CCCO3)[n-]c2=O)cc1	ZINC000012033413	557524445	/nfs/dbraw/zinc/52/44/45/557524445.db2.gz	YJGQEWXRZJXZAX-AWEZNQCLSA-N	-1	0	447.517	1.390	50	0		IDAARM
CCCN1C(=O)NC(=O)[C@@]2(Cc3c(=O)n4cccc(C)c4nc3N3CCCCC[C@H]32)C1=O	ZINC000229907368	557833869	/nfs/dbraw/zinc/83/38/69/557833869.db2.gz	XMLATFSWMODIJN-HJPURHCSSA-N	-1	0	437.500	1.783	50	0		IDAARM
CSCC[C@@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000003874398	560191126	/nfs/dbraw/zinc/19/11/26/560191126.db2.gz	PRQROPMIIGLWRP-KZNAEPCWSA-N	-1	0	437.562	1.197	50	0	biogenic,in-vitro	IDAARM
CCOc1ccc(NC(=O)[C@@H](C)O)c([N-]S(=O)(=O)c2ccc(CCNC(C)=O)cc2)c1	ZINC000001062173	562920211	/nfs/dbraw/zinc/92/02/11/562920211.db2.gz	SNDXLAPIQDEAGW-CQSZACIVSA-N	-1	0	449.529	1.884	50	0		IDAARM
COc1ccccc1N1CCN(C(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)[N-]3)CC1	ZINC000083980544	568787828	/nfs/dbraw/zinc/78/78/28/568787828.db2.gz	QFHCCOOPUMHIJT-UHFFFAOYSA-N	-1	0	440.485	1.353	50	0		IDAARM
CC(C)CCC1C(=O)N=C(SCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)N=C1[O-]	ZINC000015955560	568859960	/nfs/dbraw/zinc/85/99/60/568859960.db2.gz	RRPZKGOVHLYLHU-CABCVRRESA-N	-1	0	444.557	1.964	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-]	ZINC000016032695	568867596	/nfs/dbraw/zinc/86/75/96/568867596.db2.gz	YXFYDKGOUWOCQS-WYRIXSBYSA-N	-1	0	432.473	1.829	50	0		IDAARM
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)C1	ZINC000006203218	568879180	/nfs/dbraw/zinc/87/91/80/568879180.db2.gz	AVCYYJSEDUKFTM-GFCCVEGCSA-N	-1	0	444.560	1.554	50	0		IDAARM
Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCCC3)CC2)c1C(=O)[O-]	ZINC000036358706	569085236	/nfs/dbraw/zinc/08/52/36/569085236.db2.gz	DZANCHZFOJJHBH-HXUWFJFHSA-N	-1	0	428.489	1.242	50	0		IDAARM
COc1cc([C@@H](CC(=O)NCCc2nc(C)no2)c2oc(C)cc(=O)c2O)ccc1O	ZINC000524730040	569125920	/nfs/dbraw/zinc/12/59/20/569125920.db2.gz	SDISWASOPFKXRJ-CQSZACIVSA-N	-1	0	429.429	1.940	50	0	biogenic	IDAARM
Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1cccnc1	ZINC000065318995	569134633	/nfs/dbraw/zinc/13/46/33/569134633.db2.gz	LKWJROVYMKYIBZ-UHFFFAOYSA-N	-1	0	429.458	1.713	50	0		IDAARM
CNC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(Br)c(Cl)c2Cl)n1	ZINC000170617499	569147458	/nfs/dbraw/zinc/14/74/58/569147458.db2.gz	WSJCTTNUPOBMGR-UHFFFAOYSA-N	-1	0	443.110	1.894	50	0		IDAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cn2cnc(-c3ccc(C)cc3)cc2=O)cc1	ZINC000013807061	569157155	/nfs/dbraw/zinc/15/71/55/569157155.db2.gz	SBJZFZCLDCOYPW-UHFFFAOYSA-N	-1	0	440.481	1.682	50	0		IDAARM
COc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3c1c([O-])[nH]c(=O)n(-c2ccc(C(=O)[O-])cc2)c1=O	ZINC000002133026	569185008	/nfs/dbraw/zinc/18/50/08/569185008.db2.gz	GISWXJGBESOJCZ-IBGZPJMESA-N	-1	0	448.435	1.655	50	0	biogenic	IDAARM
Cc1c(O)ccc2c(C)c(CCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc12	ZINC000002158880	569187672	/nfs/dbraw/zinc/18/76/72/569187672.db2.gz	JIYZDAQMUUEUEA-INIZCTEOSA-N	-1	0	432.473	1.780	50	0	biogenic	IDAARM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000252693614	569210854	/nfs/dbraw/zinc/21/08/54/569210854.db2.gz	FGJHHMJVTCZYHE-FPCVCCKLSA-N	-1	0	425.526	1.898	50	0	biogenic	IDAARM
Cc1csc(=O)n1CCC(=O)[N-]S(=O)(=O)c1cnc(Cl)c(Br)c1	ZINC000253424718	569267131	/nfs/dbraw/zinc/26/71/31/569267131.db2.gz	KBCNGXZEAOVTPM-UHFFFAOYSA-N	-1	0	440.728	1.924	50	0		IDAARM
CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1S(=O)(=O)N(C)C	ZINC000253428045	569267478	/nfs/dbraw/zinc/26/74/78/569267478.db2.gz	HPRSVDGSROTHPG-CYBMUJFWSA-N	-1	0	446.469	1.240	50	0		IDAARM
O=S(=O)([N-]c1nncn1C1CC1)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1	ZINC000328594120	569317565	/nfs/dbraw/zinc/31/75/65/569317565.db2.gz	RMVWAADBTDZXJR-UHFFFAOYSA-N	-1	0	425.414	1.254	50	0		IDAARM
COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000095406540	569364799	/nfs/dbraw/zinc/36/47/99/569364799.db2.gz	MZFYEDKCOFRXMU-UHFFFAOYSA-N	-1	0	440.499	1.295	50	0		IDAARM
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[N-]OC[C@@H](C)NC(=O)OC(C)(C)C)cc1	ZINC000095453031	569368111	/nfs/dbraw/zinc/36/81/11/569368111.db2.gz	BSDQFHNZVLVNKH-OLZOCXBDSA-N	-1	0	431.511	1.323	50	0		IDAARM
CCCCC[C@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)[O-]	ZINC000095989702	569378198	/nfs/dbraw/zinc/37/81/98/569378198.db2.gz	WWTDHCKIYFCWPN-HNNXBMFYSA-N	-1	0	438.550	1.906	50	0		IDAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1OC	ZINC000096458323	569400799	/nfs/dbraw/zinc/40/07/99/569400799.db2.gz	AAKLZJASADXOQE-ROUUACIJSA-N	-1	0	445.382	1.914	50	0		IDAARM
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217648803	569450842	/nfs/dbraw/zinc/45/08/42/569450842.db2.gz	QPTDTKPACBLXDE-CYBMUJFWSA-N	-1	0	433.413	1.422	50	0	biogenic	IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000031772966	569457261	/nfs/dbraw/zinc/45/72/61/569457261.db2.gz	JAHRJFBXQITWCS-HNNXBMFYSA-N	-1	0	445.540	1.457	50	0		IDAARM
CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000008790977	569476178	/nfs/dbraw/zinc/47/61/78/569476178.db2.gz	HQMVLGSYKQQKMW-CEMCJKAASA-N	-1	0	433.530	1.765	50	0	biogenic	IDAARM
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc2)C[C@@H](C)O1	ZINC000008849467	569479254	/nfs/dbraw/zinc/47/92/54/569479254.db2.gz	FLJSZZVMVHHJJZ-VXGBXAGGSA-N	-1	0	439.515	1.820	50	0		IDAARM
CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CCC(N)=O)C(=O)[O-]	ZINC000008994527	569495575	/nfs/dbraw/zinc/49/55/75/569495575.db2.gz	VVQCJRVCVSBQBU-KBPBESRZSA-N	-1	0	433.465	1.054	50	0	biogenic	IDAARM
Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O	ZINC000009130021	569505909	/nfs/dbraw/zinc/50/59/09/569505909.db2.gz	HNRXJCZEOHTRIT-BORCDFBASA-N	-1	0	443.463	1.927	50	0		IDAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cnc2n(c1=O)CCS2	ZINC000009391809	569528974	/nfs/dbraw/zinc/52/89/74/569528974.db2.gz	GZMFWTCGHSHNAH-UHFFFAOYSA-N	-1	0	430.471	1.192	50	0		IDAARM
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000009451392	569536408	/nfs/dbraw/zinc/53/64/08/569536408.db2.gz	KVVNTIJSPOKMGZ-ZUEVXXBESA-N	-1	0	427.432	1.625	50	0		IDAARM
CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000009462327	569537199	/nfs/dbraw/zinc/53/71/99/569537199.db2.gz	KLRWODOACYEKKV-GXSJLCMTSA-N	-1	0	442.169	1.065	50	0		IDAARM
CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1	ZINC000009674857	569559221	/nfs/dbraw/zinc/55/92/21/569559221.db2.gz	VTCXGOMCZWQORZ-MSOLQXFVSA-N	-1	0	439.403	1.934	50	0		IDAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-n4ccnc4)nn3)cc2)n1	ZINC000077197091	569586131	/nfs/dbraw/zinc/58/61/31/569586131.db2.gz	JGMBNALFROYXSR-UHFFFAOYSA-N	-1	0	436.457	1.814	50	0		IDAARM
CN(C)C(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CC4)ccc3n2)CC1	ZINC000033260842	569587435	/nfs/dbraw/zinc/58/74/35/569587435.db2.gz	HSPZQHUTSZZDGI-UHFFFAOYSA-N	-1	0	425.489	1.492	50	0		IDAARM
Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c(C)c1-n1cnnn1	ZINC000006198233	193891698	/nfs/dbraw/zinc/89/16/98/193891698.db2.gz	GGJHTJXLORHYON-MRXNPFEDSA-N	-1	0	433.465	1.701	50	0		IDAARM
CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C[C@H](C(=O)[O-])O2	ZINC000006182867	132276575	/nfs/dbraw/zinc/27/65/75/132276575.db2.gz	IIUNUPAFFGKONB-QGZVFWFLSA-N	-1	0	425.484	1.830	50	0		IDAARM
Cn1c2nc3n(c2c(=O)n(CC(=O)[O-])c1=O)CCCN3c1ccc(Br)cc1	ZINC000006444373	132277223	/nfs/dbraw/zinc/27/72/23/132277223.db2.gz	NJIWNINUEDQREX-UHFFFAOYSA-N	-1	0	434.250	1.286	50	0		IDAARM
Cc1cc2c(c(C)c1)NC(=O)/C2=c1\sc2n(c1=O)CN(c1cccc(C(=O)[O-])c1)CN=2	ZINC000010059037	132334458	/nfs/dbraw/zinc/33/44/58/132334458.db2.gz	ZCTAWZIJKOIISV-VLGSPTGOSA-N	-1	0	434.477	1.431	50	0		IDAARM
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000015722023	519390044	/nfs/dbraw/zinc/39/00/44/519390044.db2.gz	TUMZHRRIVIEDCX-SZMVWBNQSA-N	-1	0	433.505	1.908	50	0		IDAARM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccccc2)CC(=O)N3)cc1	ZINC000012466005	519731917	/nfs/dbraw/zinc/73/19/17/519731917.db2.gz	OSSFHLRWPVLIHT-INIZCTEOSA-N	-1	0	426.458	1.969	50	0		IDAARM
CCCCCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@@H](OC(C)=O)[C@H]2OC(C)=O)cc1F	ZINC000035569892	520230955	/nfs/dbraw/zinc/23/09/55/520230955.db2.gz	WMJHGZFQHPCWQZ-GWBBYGMBSA-N	-1	0	443.428	1.902	50	0	in-vitro	IDAARM
CCOC(=O)N1CCN(S(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)CC1	ZINC000012692957	520956742	/nfs/dbraw/zinc/95/67/42/520956742.db2.gz	XUZJFIBMHCENCN-AATRIKPKSA-N	-1	0	428.463	1.264	50	0		IDAARM
CC1CCN(C(=O)Cn2c3sc4c(c3c(=O)n(CC(=O)[O-])c2=O)CC(C)(C)OC4)CC1	ZINC000024545351	520982229	/nfs/dbraw/zinc/98/22/29/520982229.db2.gz	ZARJDLBXYNMKQR-UHFFFAOYSA-N	-1	0	449.529	1.419	50	0		IDAARM
CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)cc1OC	ZINC000022626949	521231498	/nfs/dbraw/zinc/23/14/98/521231498.db2.gz	BLUQLBUVPAPJAA-SFHVURJKSA-N	-1	0	447.561	1.911	50	0		IDAARM
COC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000012508429	521798389	/nfs/dbraw/zinc/79/83/89/521798389.db2.gz	YBTPEGFZGHBDOJ-UHFFFAOYSA-N	-1	0	449.304	1.684	50	0		IDAARM
COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)[O-]	ZINC000035396144	521954624	/nfs/dbraw/zinc/95/46/24/521954624.db2.gz	HXYVBSCYNUKBNO-OQLLNIDSSA-N	-1	0	436.442	1.054	50	0		IDAARM
COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)c1	ZINC000012236019	522241411	/nfs/dbraw/zinc/24/14/11/522241411.db2.gz	JITZLHNSESQDHR-HNNXBMFYSA-N	-1	0	427.504	1.447	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)c(OC)c1	ZINC000021154220	524683055	/nfs/dbraw/zinc/68/30/55/524683055.db2.gz	CQCUJOAZWRDPLV-UHFFFAOYSA-N	-1	0	437.518	1.932	50	0		IDAARM
C[C@H](O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-]	ZINC000012759045	525829831	/nfs/dbraw/zinc/82/98/31/525829831.db2.gz	LCVOEJJLTFTRGA-IINYFYTJSA-N	-1	0	438.424	1.056	50	0		IDAARM
C[C@H](O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-]	ZINC000012759053	525843563	/nfs/dbraw/zinc/84/35/63/525843563.db2.gz	LCVOEJJLTFTRGA-HZMBPMFUSA-N	-1	0	438.424	1.056	50	0		IDAARM
COc1cccc(N2C[C@H](C(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)CC2=O)c1	ZINC000012389967	526162939	/nfs/dbraw/zinc/16/29/39/526162939.db2.gz	WCPYTVBMQWXLOW-CQSZACIVSA-N	-1	0	431.470	1.512	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1[C@H]3Sc2[nH]c(=O)sc2[C@@H]1c1ccco1	ZINC000238937414	527607435	/nfs/dbraw/zinc/60/74/35/527607435.db2.gz	VEAZGPPZOQXRGA-LAOSZGNSSA-N	-1	0	432.479	1.587	50	0		IDAARM
O=C([O-])C1CCN([C@@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1	ZINC000003668974	555945379	/nfs/dbraw/zinc/94/53/79/555945379.db2.gz	QHJWNKODQVEOGV-CYBMUJFWSA-N	-1	0	428.226	1.720	50	0		IDAARM
Cn1c2nc(SCCC(=O)[O-])n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O	ZINC000003877956	555950323	/nfs/dbraw/zinc/95/03/23/555950323.db2.gz	KVXXOMYPLGTIDS-UHFFFAOYSA-N	-1	0	439.291	1.801	50	0		IDAARM
Nc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)[n-]c(=O)c1NC(=O)c1ccco1	ZINC000002712537	556122395	/nfs/dbraw/zinc/12/23/95/556122395.db2.gz	FPQUUNVLTBYZSB-UHFFFAOYSA-N	-1	0	443.441	1.335	50	0		IDAARM
CCc1nnc(NC(=O)CSc2nc(N)c(NC(=O)c3cccs3)c(=O)[n-]2)s1	ZINC000002712473	556126046	/nfs/dbraw/zinc/12/60/46/556126046.db2.gz	ZYJRPWSNZGDXKX-UHFFFAOYSA-N	-1	0	437.532	1.811	50	0		IDAARM
COc1ccc2sc(SCCCS(=O)(=O)[O-])[n+](CCCS(=O)(=O)[O-])c2c1	ZINC000002831197	556146094	/nfs/dbraw/zinc/14/60/94/556146094.db2.gz	MHQKHKBFHOLAMA-UHFFFAOYSA-O	-1	0	442.582	1.845	50	0		IDAARM
Cn1c2nc(SCC(=O)[O-])n(Cc3cc4c(cc3Cl)OCO4)c2c(=O)n(C)c1=O	ZINC000008670802	556198278	/nfs/dbraw/zinc/19/82/78/556198278.db2.gz	SUMWHPTWHDLUCN-UHFFFAOYSA-N	-1	0	438.849	1.041	50	0		IDAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@@H](O)c3ccccc3)cc2)no1	ZINC000013693434	556282845	/nfs/dbraw/zinc/28/28/45/556282845.db2.gz	LNJHGBJQRWXILD-QGZVFWFLSA-N	-1	0	444.469	1.572	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2cc(N3C(=O)[C@H](C)CS3(=O)=O)ccc2OC)cc1	ZINC000013734561	556297092	/nfs/dbraw/zinc/29/70/92/556297092.db2.gz	ZHBHFVQXWSKKAT-GFCCVEGCSA-N	-1	0	440.499	1.817	50	0		IDAARM
Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)OCCO5)c(=O)c2=3)cc1	ZINC000009748116	556308000	/nfs/dbraw/zinc/30/80/00/556308000.db2.gz	QQURJDVPKTUYQZ-PMACEKPBSA-N	-1	0	435.440	1.376	50	0		IDAARM
CC(C)CN1C[C@@H](OCc2ccccc2)CN(C(=O)C[C@H]2SC(=O)[N-]C2=O)CC1=O	ZINC000014750517	556443375	/nfs/dbraw/zinc/44/33/75/556443375.db2.gz	NELUIUBEPXOQAQ-IAGOWNOFSA-N	-1	0	433.530	1.640	50	0		IDAARM
COc1ccc(C[C@@]2(CCC(=O)N(C)Cc3n[nH]c(=O)[n-]3)CCC(=O)N2)c2ccccc12	ZINC000014882865	556454407	/nfs/dbraw/zinc/45/44/07/556454407.db2.gz	UGJNHFXVFDORBK-QHCPKHFHSA-N	-1	0	437.500	1.890	50	0		IDAARM
O=c1c(C(c2ccccc2)c2c(O)nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000013143357	556487167	/nfs/dbraw/zinc/48/71/67/556487167.db2.gz	MGDSCGGXXHEHAG-UHFFFAOYSA-N	-1	0	428.495	1.603	50	0		IDAARM
COc1ccccc1CCNC(=O)CSc1nc2nc(C)c(CC(=O)[O-])c(C)n2n1	ZINC000013222467	556499024	/nfs/dbraw/zinc/49/90/24/556499024.db2.gz	WSHJXJNBYJVEKY-UHFFFAOYSA-N	-1	0	429.502	1.828	50	0		IDAARM
C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)[O-])C(=O)N2CCc1ccc(S(N)(=O)=O)cc1	ZINC000013567011	556520317	/nfs/dbraw/zinc/52/03/17/556520317.db2.gz	RVWRTFMKECWWMR-CDXJDZJCSA-N	-1	0	430.482	1.702	50	0		IDAARM
COc1cc2c(cc1[N-]S(=O)(=O)c1ccc(N3CCCC3=O)cc1)n(C)c(=O)n2C	ZINC000015780452	556551429	/nfs/dbraw/zinc/55/14/29/556551429.db2.gz	OUNFTGDXDVJFGC-UHFFFAOYSA-N	-1	0	430.486	1.813	50	0		IDAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC4(CC3)OCCO4)[nH]n2)cc1	ZINC000032985021	556604580	/nfs/dbraw/zinc/60/45/80/556604580.db2.gz	JIGKYOPQYGXXCJ-UHFFFAOYSA-N	-1	0	436.490	1.588	50	0		IDAARM
COc1ccc(-c2nc3s/c(=C4/c5ccccc5N(CC(=O)[O-])C4=O)c(=O)n3n2)cc1	ZINC000016805237	556643423	/nfs/dbraw/zinc/64/34/23/556643423.db2.gz	UUGTXURTVYXFJU-MSUUIHNZSA-N	-1	0	434.433	1.176	50	0		IDAARM
COc1ccc(-c2cc([N-]S(=O)(=O)c3c[nH]cn3)n([C@@H]3CCS(=O)(=O)C3)n2)cc1	ZINC000011795832	556656642	/nfs/dbraw/zinc/65/66/42/556656642.db2.gz	YZNVVTZWLRARLI-CYBMUJFWSA-N	-1	0	437.503	1.442	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@@H](C)CS3(=O)=O)cc2)c(OC)c1	ZINC000011858201	556663282	/nfs/dbraw/zinc/66/32/82/556663282.db2.gz	DWJVYWLVPRUPJS-LBPRGKRZSA-N	-1	0	440.499	1.817	50	0		IDAARM
Cc1cc(OCC(=O)N[C@H](C(=O)NCCC(=O)[O-])C(C)C)c2c3c(c(=O)oc2c1)CCC3	ZINC000011866870	556667025	/nfs/dbraw/zinc/66/70/25/556667025.db2.gz	MMLGYLURLBDWNW-NRFANRHFSA-N	-1	0	444.484	1.701	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)CC[C@H]2NC(=O)NC2=O)c1	ZINC000033023759	556693938	/nfs/dbraw/zinc/69/39/38/556693938.db2.gz	YOCWDOYFYKPVSS-OAHLLOKOSA-N	-1	0	432.458	1.423	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)C(=O)[O-]	ZINC000013630013	556705382	/nfs/dbraw/zinc/70/53/82/556705382.db2.gz	NVUYWGPFDXYIHC-XUJVJEKNSA-N	-1	0	440.547	1.708	50	0		IDAARM
CC(C)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)C(=O)[O-]	ZINC000080358385	556738998	/nfs/dbraw/zinc/73/89/98/556738998.db2.gz	RSBSMAQWXADQET-BXUZGUMPSA-N	-1	0	426.520	1.317	50	0		IDAARM
O=S(=O)([N-]c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cnn(-c2ccccc2)c1	ZINC000058014136	556753478	/nfs/dbraw/zinc/75/34/78/556753478.db2.gz	OHULDXXGLHNFIA-UHFFFAOYSA-N	-1	0	448.526	1.694	50	0		IDAARM
Cc1cc(S(=O)(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)ccc1OCC(=O)[O-]	ZINC000058142301	556761353	/nfs/dbraw/zinc/76/13/53/556761353.db2.gz	YRULKUHLELOKDR-UHFFFAOYSA-N	-1	0	440.499	1.799	50	0		IDAARM
CC(=O)NCCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)N(C)C)cc2)s1	ZINC000058439959	556788642	/nfs/dbraw/zinc/78/86/42/556788642.db2.gz	ZZEGJOUBSVAWQP-UHFFFAOYSA-N	-1	0	425.532	1.695	50	0		IDAARM
O=C([O-])CN1C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OC(F)F)cc3)cc21	ZINC000022990140	557056130	/nfs/dbraw/zinc/05/61/30/557056130.db2.gz	SQOMWYOQBFNPOZ-UHFFFAOYSA-N	-1	0	428.369	1.899	50	0		IDAARM
Cc1cccc(N2CCN(S(=O)(=O)c3nn(Cc4ccccn4)cc3C(=O)[O-])CC2)c1	ZINC000049411673	557106854	/nfs/dbraw/zinc/10/68/54/557106854.db2.gz	PHBFBPSAMPRAQE-UHFFFAOYSA-N	-1	0	441.513	1.844	50	0		IDAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)c1ccccc1	ZINC000033330796	557114090	/nfs/dbraw/zinc/11/40/90/557114090.db2.gz	XTDIMPNTOXUQGZ-GFCCVEGCSA-N	-1	0	428.470	1.663	50	0		IDAARM
COc1ccc(CN2CCN(S(=O)(=O)c3cc(C(=O)[O-])cs3)CC2)cc1OC	ZINC000049609518	557115496	/nfs/dbraw/zinc/11/54/96/557115496.db2.gz	RWAMAIXIXCXXRZ-UHFFFAOYSA-N	-1	0	426.516	1.970	50	0		IDAARM
O=C(CC[N-]S(=O)(=O)c1c(F)cccc1F)N1CCC(N2C(=O)CSC2=O)CC1	ZINC000206980864	557168852	/nfs/dbraw/zinc/16/88/52/557168852.db2.gz	VVMMICZRZYLUJV-UHFFFAOYSA-N	-1	0	447.485	1.320	50	0		IDAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCCO5)c=3c2=O)cc1	ZINC000100033009	557238128	/nfs/dbraw/zinc/23/81/28/557238128.db2.gz	IQTAYBXSABNVRF-PMACEKPBSA-N	-1	0	435.440	1.952	50	0		IDAARM
Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)on1	ZINC000011010552	557243165	/nfs/dbraw/zinc/24/31/65/557243165.db2.gz	OLFAYTLYDBUCAC-KGLIPLIRSA-N	-1	0	446.485	1.714	50	0		IDAARM
CC(=O)O[C@@H]1CO[C@H](n2cc(C(=O)C(=O)[O-])c3ccccc32)[C@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000101112333	557255921	/nfs/dbraw/zinc/25/59/21/557255921.db2.gz	GKASZHXFBQGIKI-MDNKFWRPSA-N	-1	0	447.396	1.233	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2	ZINC000101166619	557258367	/nfs/dbraw/zinc/25/83/67/557258367.db2.gz	RZZRTAUGFWTTAH-ZWKOTPCHSA-N	-1	0	425.376	1.529	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1OC	ZINC000101169832	557259396	/nfs/dbraw/zinc/25/93/96/557259396.db2.gz	XYWOEQOHBSNJDB-MSOLQXFVSA-N	-1	0	427.392	1.775	50	0		IDAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2)c1[O-]	ZINC000101455769	557286413	/nfs/dbraw/zinc/28/64/13/557286413.db2.gz	OVPVKLYGFHTEBX-OAHLLOKOSA-N	-1	0	430.461	1.757	50	0		IDAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3Br)c(=O)c1-2	ZINC000103129584	557313202	/nfs/dbraw/zinc/31/32/02/557313202.db2.gz	FPPTVAKOAVFKQV-IUCAKERBSA-N	-1	0	431.040	1.202	50	0		IDAARM
O=C(COc1ccc(F)cc1)Nc1nnc(SCc2cc(=O)n3nc[n-]c3n2)s1	ZINC000102621505	557359612	/nfs/dbraw/zinc/35/96/12/557359612.db2.gz	MMBOKBQUEWJIQX-UHFFFAOYSA-N	-1	0	433.450	1.718	50	0		IDAARM
NC1=C2C(=O)Oc3cc(O)ccc3[C@@H]2[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2S1	ZINC000107165753	557534782	/nfs/dbraw/zinc/53/47/82/557534782.db2.gz	LBTMGQXXYSQZIH-IIAWOOMASA-N	-1	0	438.417	1.568	50	0		IDAARM
Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(Br)nc2)cc1S(C)(=O)=O	ZINC000225690427	557764161	/nfs/dbraw/zinc/76/41/61/557764161.db2.gz	RJWRKKCFSCKPCV-UHFFFAOYSA-N	-1	0	433.305	1.675	50	0		IDAARM
CN(C)c1cc([N-]S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)ncn1	ZINC000225695438	557765299	/nfs/dbraw/zinc/76/52/99/557765299.db2.gz	UPQWMOJTAFSUKE-UHFFFAOYSA-N	-1	0	439.441	1.184	50	0		IDAARM
CCCN1C(=O)NC(=O)[C@]2(Cc3c(=O)n4cccc(C)c4nc3N3CCCCC[C@H]32)C1=O	ZINC000229907375	557833969	/nfs/dbraw/zinc/83/39/69/557833969.db2.gz	XMLATFSWMODIJN-QMHKHESXSA-N	-1	0	437.500	1.783	50	0		IDAARM
Cn1c2nc(N[C@@H](Cc3ccccc3)C(=O)[O-])n(Cc3ccccc3)c2c(=O)n(C)c1=O	ZINC000002194152	562926171	/nfs/dbraw/zinc/92/61/71/562926171.db2.gz	WRTUNDXZORICHG-KRWDZBQOSA-N	-1	0	433.468	1.590	50	0		IDAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](NC(N)=O)[C@H](C)CC)cc1	ZINC000009612569	562974179	/nfs/dbraw/zinc/97/41/79/562974179.db2.gz	ICRMLBYCFDHVIN-DOMZBBRYSA-N	-1	0	427.527	1.496	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-]	ZINC000034808369	568738275	/nfs/dbraw/zinc/73/82/75/568738275.db2.gz	FYEFTAXZMDGBPL-YEJXKQKISA-N	-1	0	444.484	1.701	50	0		IDAARM
O=S(=O)(c1ccc2c(c1)S(=O)(=O)[N-]C(c1cccc(F)c1)=N2)N1CCOCC1	ZINC000015682404	568807051	/nfs/dbraw/zinc/80/70/51/568807051.db2.gz	MTJKQPQCSYXSDF-UHFFFAOYSA-N	-1	0	425.463	1.217	50	0		IDAARM
CCCc1c(C(=O)OCC)c2cc([N-]S(C)(=O)=O)c(OC)cc2n1S(C)(=O)=O	ZINC000006142928	568845669	/nfs/dbraw/zinc/84/56/69/568845669.db2.gz	XQQQALBBZIAPHO-UHFFFAOYSA-N	-1	0	432.520	1.958	50	0		IDAARM
O=C(c1cnc([O-])n(-c2ccc(F)cc2)c1=O)N1CCN(c2cc3c(nn2)CCC3)CC1	ZINC000575620722	568882881	/nfs/dbraw/zinc/88/28/81/568882881.db2.gz	SOMFGYWVCLOQII-UHFFFAOYSA-N	-1	0	436.447	1.318	50	0		IDAARM
Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](O)C[C@H]2C(=O)[O-])c(C)cc1Cl	ZINC000241837501	568912287	/nfs/dbraw/zinc/91/22/87/568912287.db2.gz	SKRRVSPYGLAHOP-CFVMTHIKSA-N	-1	0	430.910	1.156	50	0		IDAARM
COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)c(OC)c1OC	ZINC000245295366	568914343	/nfs/dbraw/zinc/91/43/43/568914343.db2.gz	DJUHLCLAQVXCJB-QZWWFDLISA-N	-1	0	444.415	1.755	50	0		IDAARM
Cc1[n-]n(-c2ccccc2)c(=O)c1NNc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000252429270	568922883	/nfs/dbraw/zinc/92/28/83/568922883.db2.gz	HRDINRAFVYVXHO-HXUWFJFHSA-N	-1	0	429.502	1.690	50	0		IDAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[N@@H+]2CCCN(c3ncccn3)CC2)c2ccc(F)cc21	ZINC000036354062	569084073	/nfs/dbraw/zinc/08/40/73/569084073.db2.gz	BRGRODJDSBVZCB-IBGZPJMESA-N	-1	0	427.436	1.993	50	0		IDAARM
COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2c(C(=O)OC)c[nH]c2C(=O)OC)cc1	ZINC000170617693	569146920	/nfs/dbraw/zinc/14/69/20/569146920.db2.gz	FHFBGXTXQMUSBO-UHFFFAOYSA-N	-1	0	440.430	1.331	50	0		IDAARM
CCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1	ZINC000013250096	569151267	/nfs/dbraw/zinc/15/12/67/569151267.db2.gz	FTKGUCIYMXLFEJ-UHFFFAOYSA-N	-1	0	441.531	1.974	50	0		IDAARM
COc1ccccc1-n1c(=O)[nH]c([O-])c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c1=O	ZINC000002103197	569180028	/nfs/dbraw/zinc/18/00/28/569180028.db2.gz	QTPRJQCZWHVTKU-MRXNPFEDSA-N	-1	0	426.381	1.517	50	0	biogenic	IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)CCc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-]	ZINC000002109895	569181797	/nfs/dbraw/zinc/18/17/97/569181797.db2.gz	OXOCUKWQNNKTOD-WYRIXSBYSA-N	-1	0	432.473	1.780	50	0	biogenic	IDAARM
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCC3)C(=O)[O-]	ZINC000002115592	569182477	/nfs/dbraw/zinc/18/24/77/569182477.db2.gz	FYEFTAXZMDGBPL-ZSEKCTLFSA-N	-1	0	444.484	1.701	50	0	biogenic	IDAARM
CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c12	ZINC000002117496	569182610	/nfs/dbraw/zinc/18/26/10/569182610.db2.gz	HRNPKYUCURCTCA-NRFANRHFSA-N	-1	0	432.473	1.774	50	0	biogenic	IDAARM
CC(C)C[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)NCC(=O)[O-]	ZINC000002120578	569183432	/nfs/dbraw/zinc/18/34/32/569183432.db2.gz	YUCMYBQLKQOQAJ-GOSISDBHSA-N	-1	0	444.484	1.782	50	0	biogenic	IDAARM
C[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000252694790	569211058	/nfs/dbraw/zinc/21/10/58/569211058.db2.gz	QAWUZTZYTDHJPF-VGWMRTNUSA-N	-1	0	425.526	1.898	50	0	biogenic	IDAARM
COC(=O)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1	ZINC000015247452	569212222	/nfs/dbraw/zinc/21/22/22/569212222.db2.gz	LNDIHSLQBHQCMP-UHFFFAOYSA-N	-1	0	432.907	1.982	50	0		IDAARM
CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1S(=O)(=O)N(C)C	ZINC000253428049	569267522	/nfs/dbraw/zinc/26/75/22/569267522.db2.gz	HPRSVDGSROTHPG-ZDUSSCGKSA-N	-1	0	446.469	1.240	50	0		IDAARM
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1	ZINC000328592077	569317207	/nfs/dbraw/zinc/31/72/07/569317207.db2.gz	WCARTRABIFRKLR-BBRMVZONSA-N	-1	0	437.497	1.804	50	0		IDAARM
COc1c2c(cc3c1[C@@H](CC(=O)c1c([O-])n(C)c(=S)n(C)c1=O)N(C)CC3)OCO2	ZINC000020112956	569334672	/nfs/dbraw/zinc/33/46/72/569334672.db2.gz	CPHAHVLHJGLJBB-LLVKDONJSA-N	-1	0	433.486	1.698	50	0	biogenic	IDAARM
CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1	ZINC000095405432	569364436	/nfs/dbraw/zinc/36/44/36/569364436.db2.gz	OCQPEUGTGDLKSW-UHFFFAOYSA-N	-1	0	425.507	1.527	50	0		IDAARM
O=C(NCc1n[nH]c(=O)[n-]1)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F	ZINC000095409673	569365239	/nfs/dbraw/zinc/36/52/39/569365239.db2.gz	AUARQIRXNHMWNC-UHFFFAOYSA-N	-1	0	432.160	1.390	50	0		IDAARM
CC(C)CO[N-]C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1	ZINC000096012462	569380040	/nfs/dbraw/zinc/38/00/40/569380040.db2.gz	UFUZYGNNPBFYBX-ZDUSSCGKSA-N	-1	0	425.429	1.322	50	0		IDAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(-n2cncn2)nn1	ZINC000096097830	569381476	/nfs/dbraw/zinc/38/14/76/569381476.db2.gz	RTLAMPWSQLMHRR-UHFFFAOYSA-N	-1	0	428.459	1.567	50	0		IDAARM
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096221044	569386758	/nfs/dbraw/zinc/38/67/58/569386758.db2.gz	AWSIOTIZCAJPLJ-ZDUSSCGKSA-N	-1	0	435.429	1.668	50	0	biogenic	IDAARM
CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1	ZINC000002783516	569421305	/nfs/dbraw/zinc/42/13/05/569421305.db2.gz	NGRMHTNKLNULNF-MSOLQXFVSA-N	-1	0	439.403	1.934	50	0		IDAARM
O=C(NC[C@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O	ZINC000002970724	569433443	/nfs/dbraw/zinc/43/34/43/569433443.db2.gz	VCQNVUMCEWHBHO-OAHLLOKOSA-N	-1	0	430.530	1.980	50	0		IDAARM
COC(=O)C[C@H](c1cc2cc(OC)ccc2[nH]c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217602743	569450069	/nfs/dbraw/zinc/45/00/69/569450069.db2.gz	KWQBEGKBCMLOOI-CQSZACIVSA-N	-1	0	442.424	1.492	50	0	biogenic	IDAARM
COc1ccc(N2C[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)CC2=O)cc1	ZINC000008790218	569476049	/nfs/dbraw/zinc/47/60/49/569476049.db2.gz	IHWJGQUDIGPWGB-LJHODMEESA-N	-1	0	431.489	1.265	50	0	biogenic	IDAARM
CSC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)[O-]	ZINC000008790496	569476120	/nfs/dbraw/zinc/47/61/20/569476120.db2.gz	RIHUJOWHAWJBEM-WMZOPIPTSA-N	-1	0	441.509	1.416	50	0	biogenic	IDAARM
CSC[C@H](NC(=O)C1CCN(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000008918277	569486212	/nfs/dbraw/zinc/48/62/12/569486212.db2.gz	GSHBZIROFLLWJC-GJZGRUSLSA-N	-1	0	443.566	1.557	50	0	biogenic	IDAARM
COc1cc(C2=NO[C@@](CC(=O)[O-])(C(=O)NC3CCCCC3)C2)ccc1OCC(N)=O	ZINC000009348662	569524489	/nfs/dbraw/zinc/52/44/89/569524489.db2.gz	XFLWJJSQMSGUJV-NRFANRHFSA-N	-1	0	433.461	1.346	50	0		IDAARM
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC3CCCC3)[n-]c2=O)cc1OC	ZINC000009599493	569551248	/nfs/dbraw/zinc/55/12/48/569551248.db2.gz	PLLRPGGZWSARNO-UHFFFAOYSA-N	-1	0	447.517	1.773	50	0		IDAARM
NC(=O)C1CCN(C(=O)Cc2csc([N-]S(=O)(=O)c3ccc(Cl)cc3)n2)CC1	ZINC000009828548	569569781	/nfs/dbraw/zinc/56/97/81/569569781.db2.gz	GEIRIIIGPYLPFT-UHFFFAOYSA-N	-1	0	442.950	1.864	50	0		IDAARM
Cc1ccc(S(=O)(=O)NCCC(=O)[O-])c(C)c1N(C)S(=O)(=O)c1ccccc1	ZINC000009849120	569571304	/nfs/dbraw/zinc/57/13/04/569571304.db2.gz	HLDZVMSEZKKHNX-UHFFFAOYSA-N	-1	0	426.516	1.882	50	0		IDAARM
Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)cs2)nc1	ZINC000065097488	569584235	/nfs/dbraw/zinc/58/42/35/569584235.db2.gz	DBMSUKZIMULPTK-UHFFFAOYSA-N	-1	0	435.487	1.775	50	0		IDAARM
CCOc1ccccc1-n1c(=O)[nH]c([O-])c([C@@H]2NCCc3cc(OC)c(OC)cc32)c1=O	ZINC000020533319	521444662	/nfs/dbraw/zinc/44/46/62/521444662.db2.gz	WMAYRRXFEDSKDT-HXUWFJFHSA-N	-1	0	439.468	1.882	50	0		IDAARM
COC(=O)c1c(S(=O)(=O)[N-]C(=O)Nc2nc(OC)cc(OC)n2)c2ccccc2n1C	ZINC000018194529	521784466	/nfs/dbraw/zinc/78/44/66/521784466.db2.gz	GTTXXZFBELVVSE-UHFFFAOYSA-N	-1	0	449.445	1.283	50	0		IDAARM
COc1ccc(-n2c(=O)c([C@H]3NCCc4cc(OC)c(OC)cc43)c([O-])n(C)c2=O)cc1	ZINC000020757657	523308525	/nfs/dbraw/zinc/30/85/25/523308525.db2.gz	LEIRNUNADBUYOW-FQEVSTJZSA-N	-1	0	439.468	1.503	50	0	biogenic	IDAARM
CCc1ccc(-c2nc3[nH]c(=O)[nH]c([O-])c-3c2-c2c(=O)[nH]c(=O)[nH]c2-n2cccc2)cc1	ZINC000020896849	523853008	/nfs/dbraw/zinc/85/30/08/523853008.db2.gz	GBNKEMKAEIJYNA-UHFFFAOYSA-N	-1	0	430.424	1.608	50	0		IDAARM
C[C@@H](O)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-]	ZINC000012759042	525848332	/nfs/dbraw/zinc/84/83/32/525848332.db2.gz	LCVOEJJLTFTRGA-QMTHXVAHSA-N	-1	0	438.424	1.056	50	0		IDAARM
CSc1nc(NC(=O)[N-]S(=O)(=O)c2ccccc2Cl)nc(N2CCOCC2)n1	ZINC000012368130	526215180	/nfs/dbraw/zinc/21/51/80/526215180.db2.gz	MIYBVHWTNIBBNC-UHFFFAOYSA-N	-1	0	444.926	1.594	50	0		IDAARM
O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)N[C@H]1CCS(=O)(=O)C1	ZINC000012324084	527337760	/nfs/dbraw/zinc/33/77/60/527337760.db2.gz	PQIWYKZAUVSKRW-NSHDSACASA-N	-1	0	449.963	1.443	50	0		IDAARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccncc2)cc1	ZINC000002067102	555733677	/nfs/dbraw/zinc/73/36/77/555733677.db2.gz	SZYJBIZFMHXYGZ-UHFFFAOYSA-N	-1	0	444.498	1.808	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccncc3)cc2)nn1	ZINC000002756711	556137461	/nfs/dbraw/zinc/13/74/61/556137461.db2.gz	ISJAFFGSXFMBKZ-UHFFFAOYSA-N	-1	0	444.498	1.808	50	0		IDAARM
O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)N1CCN(c2ccccn2)CC1	ZINC000002975388	556153194	/nfs/dbraw/zinc/15/31/94/556153194.db2.gz	WSASHBMYUZKXLL-UHFFFAOYSA-N	-1	0	439.497	1.922	50	0		IDAARM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(I)c1OCC(=O)OC	ZINC000008660994	556197289	/nfs/dbraw/zinc/19/72/89/556197289.db2.gz	SRQPIZJHCDNBAJ-BJMVGYQFSA-N	-1	0	446.197	1.422	50	0		IDAARM
Cc1cc2c(cc1S(=O)(=O)N[C@@H](Cc1c[nH]c3ccccc13)C(=O)[O-])NC(=O)CO2	ZINC000008782690	556214978	/nfs/dbraw/zinc/21/49/78/556214978.db2.gz	RAMKHWNEZHGHEH-INIZCTEOSA-N	-1	0	429.454	1.781	50	0	biogenic,in-vitro	IDAARM
O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000008994327	556239244	/nfs/dbraw/zinc/23/92/44/556239244.db2.gz	BIUGRXQWPUAZKJ-UHFFFAOYSA-N	-1	0	432.483	1.690	50	0		IDAARM
Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1	ZINC000008994329	556239255	/nfs/dbraw/zinc/23/92/55/556239255.db2.gz	KWLPYVYGJQXOIU-UHFFFAOYSA-N	-1	0	446.510	1.998	50	0		IDAARM
O=C([O-])CN1C(=O)S/C(=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)C1=O	ZINC000009264501	556270479	/nfs/dbraw/zinc/27/04/79/556270479.db2.gz	JBMMYZJFAYTSEH-CXUHLZMHSA-N	-1	0	429.454	1.621	50	0		IDAARM
O=C(NCC(F)(F)F)c1cccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c1	ZINC000059777412	556423903	/nfs/dbraw/zinc/42/39/03/556423903.db2.gz	BMHHGINPRHTANE-UHFFFAOYSA-N	-1	0	426.380	1.755	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)[O-]	ZINC000013607776	556533596	/nfs/dbraw/zinc/53/35/96/556533596.db2.gz	UUSYMCSCYXKOAE-ACJLOTCBSA-N	-1	0	439.534	1.661	50	0		IDAARM
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000032999871	556653462	/nfs/dbraw/zinc/65/34/62/556653462.db2.gz	JUALCKGSUMEJCP-UHFFFAOYSA-N	-1	0	449.514	1.747	50	0		IDAARM
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@@H]1[C@]1(C3)C(=O)[N-]C(=O)N(C)C1=O	ZINC000017027413	556653498	/nfs/dbraw/zinc/65/34/98/556653498.db2.gz	CSZIBGKKHPBELW-MZNJEOGPSA-N	-1	0	443.463	1.357	50	0		IDAARM
CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000248086738	556661048	/nfs/dbraw/zinc/66/10/48/556661048.db2.gz	SEHBEXPIHLFLJI-FVCZOJIISA-N	-1	0	447.601	1.946	50	0	biogenic	IDAARM
CC(C)[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000011866875	556666936	/nfs/dbraw/zinc/66/69/36/556666936.db2.gz	OIQGFFMZWQWBET-RBZFPXEDSA-N	-1	0	444.484	1.781	50	0		IDAARM
COCC(=O)NCCC(=O)Nc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2)c1	ZINC000032936131	556679098	/nfs/dbraw/zinc/67/90/98/556679098.db2.gz	XYSMYAIGKRFLDU-UHFFFAOYSA-N	-1	0	439.465	1.726	50	0		IDAARM
CCOC(=O)c1ccn(-c2ccc([N-]S(=O)(=O)c3n[nH]cc3C(=O)OCC)cc2)n1	ZINC000058017108	556753997	/nfs/dbraw/zinc/75/39/97/556753997.db2.gz	KBUVJOVUDIGEMB-UHFFFAOYSA-N	-1	0	433.446	1.750	50	0		IDAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(C(=O)[O-])cc3NS(C)(=O)=O)CC2)cc1	ZINC000033253259	556893445	/nfs/dbraw/zinc/89/34/45/556893445.db2.gz	SSTAQPAKQIVCAI-UHFFFAOYSA-N	-1	0	446.529	1.825	50	0		IDAARM
CCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)COC)ccc3n2)CC1	ZINC000033260723	556897367	/nfs/dbraw/zinc/89/73/67/556897367.db2.gz	YPNYKDXQIDTKGD-UHFFFAOYSA-N	-1	0	443.504	1.166	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1cccc(F)c1	ZINC000095481499	557157492	/nfs/dbraw/zinc/15/74/92/557157492.db2.gz	QBYBDDBHNXSDPH-MSOLQXFVSA-N	-1	0	425.376	1.529	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccco3)[C@@H]2C1=O	ZINC000247663739	557202594	/nfs/dbraw/zinc/20/25/94/557202594.db2.gz	VEAZGPPZOQXRGA-RLHWLBHMSA-N	-1	0	432.479	1.587	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1Cl	ZINC000101168926	557258927	/nfs/dbraw/zinc/25/89/27/557258927.db2.gz	QRQFQYWDQAJKGY-ROUUACIJSA-N	-1	0	427.848	1.958	50	0		IDAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3OC)C2)c1[O-]	ZINC000101456426	557287164	/nfs/dbraw/zinc/28/71/64/557287164.db2.gz	KYVHTTJXAPHQHB-MRXNPFEDSA-N	-1	0	430.461	1.757	50	0		IDAARM
COc1cc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C4CCCCC4)c3[O-])=NN2)cc(OC)c1O	ZINC000101762121	557297098	/nfs/dbraw/zinc/29/70/98/557297098.db2.gz	BTUMZDRGULJDLD-ZDUSSCGKSA-N	-1	0	430.461	1.909	50	0		IDAARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3Br)c(=O)c1-2	ZINC000103129572	557313249	/nfs/dbraw/zinc/31/32/49/557313249.db2.gz	WZDRINMQXQMNQM-VHSXEESVSA-N	-1	0	445.067	1.592	50	0		IDAARM
Cc1ccc([C@H](c2c([O-])nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1	ZINC000100134020	557331714	/nfs/dbraw/zinc/33/17/14/557331714.db2.gz	TXWXJJNVOPGHLD-GFCCVEGCSA-N	-1	0	442.522	1.911	50	0		IDAARM
O=C(NCCN1CCOCC1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000033405285	557334481	/nfs/dbraw/zinc/33/44/81/557334481.db2.gz	LAYDJXQVPNDNSX-UHFFFAOYSA-N	-1	0	425.457	1.828	50	0		IDAARM
COC(=O)[C@H](N)Cc1cc(I)c([O-])c(I)c1	ZINC000013560821	557351755	/nfs/dbraw/zinc/35/17/55/557351755.db2.gz	TWUDQOSVGDGRHW-MRVPVSSYSA-N	-1	0	447.010	1.644	50	0		IDAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC(=O)NCCCN1CCOCC1)c2=O	ZINC000012416130	557835591	/nfs/dbraw/zinc/83/55/91/557835591.db2.gz	LYYXHXVCPMHCPY-UHFFFAOYSA-N	-1	0	434.518	1.074	50	0		IDAARM
COC(=O)c1ccc(-n2nnnc2SCC(=O)NCc2cccc(C(=O)[O-])c2)cc1	ZINC000001883928	562925229	/nfs/dbraw/zinc/92/52/29/562925229.db2.gz	XEMKMVJECJZREN-UHFFFAOYSA-N	-1	0	427.442	1.556	50	0		IDAARM
O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	ZINC000003409025	562935263	/nfs/dbraw/zinc/93/52/63/562935263.db2.gz	ZNZQSDAQYZDGJD-UHFFFAOYSA-N	-1	0	426.472	1.207	50	0		IDAARM
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	ZINC000004099035	562941725	/nfs/dbraw/zinc/94/17/25/562941725.db2.gz	MTKNDAQYHASLID-QXYWQCSFSA-N	-1	0	448.512	1.526	50	0	endogenous,world	IDAARM
CCCCN1C(=O)[N-]C(=O)C(=C(C)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O	ZINC000004313022	562943090	/nfs/dbraw/zinc/94/30/90/562943090.db2.gz	QTRDZROVMFGFMI-XIDKLXSXSA-N	-1	0	426.473	1.994	50	0		IDAARM
C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000008790901	562964178	/nfs/dbraw/zinc/96/41/78/562964178.db2.gz	NNNPVAYTYDQJFO-OPRWKUAOSA-N	-1	0	431.514	1.615	50	0	biogenic	IDAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](NC(N)=O)[C@H](C)CC)cc1	ZINC000009612568	562974169	/nfs/dbraw/zinc/97/41/69/562974169.db2.gz	ICRMLBYCFDHVIN-IUODEOHRSA-N	-1	0	427.527	1.496	50	0		IDAARM
C[C@@]12CC[C@H]3c4ccc(O[C@H]5O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]5O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2O	ZINC000253614959	568644147	/nfs/dbraw/zinc/64/41/47/568644147.db2.gz	MUOHJTRCBBDUOW-QTCARLKPSA-N	-1	0	448.512	1.175	50	0		IDAARM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)N1CCN(c2c(F)c(F)nc(F)c2F)CC1	ZINC000003770990	568754647	/nfs/dbraw/zinc/75/46/47/568754647.db2.gz	AHWBPJNZSAEFND-UHFFFAOYSA-N	-1	0	436.362	1.998	50	0		IDAARM
COc1ccccc1N1CCN(S(=O)(=O)c2ccc3ncc(C(=O)[O-])c(O)c3c2)CC1	ZINC000015827465	568840862	/nfs/dbraw/zinc/84/08/62/568840862.db2.gz	BAIBKMDHDDTITQ-UHFFFAOYSA-N	-1	0	443.481	1.746	50	0		IDAARM
CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-]	ZINC000015956458	568859864	/nfs/dbraw/zinc/85/98/64/568859864.db2.gz	GLNCOTXYXGERHA-MPBGBICISA-N	-1	0	444.484	1.701	50	0		IDAARM
Cc1cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c2c(c1)oc(=O)c1c2CCCC1	ZINC000015956361	568859968	/nfs/dbraw/zinc/85/99/68/568859968.db2.gz	QWMFPOQOALOHMZ-OAQYLSRUSA-N	-1	0	444.484	1.701	50	0		IDAARM
O=C(c1cnc([O-])n(-c2ccc(F)cc2)c1=O)N1CCN(c2ccc(C3CC3)nn2)CC1	ZINC000575618556	568882038	/nfs/dbraw/zinc/88/20/38/568882038.db2.gz	CRVMDBMUBSLRRL-UHFFFAOYSA-N	-1	0	436.447	1.707	50	0		IDAARM
CCCCCOC(=O)[N-]c1nc(=O)n([C@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1F	ZINC000584578784	568897381	/nfs/dbraw/zinc/89/73/81/568897381.db2.gz	WMJHGZFQHPCWQZ-JPRDPHSJSA-N	-1	0	443.428	1.902	50	0		IDAARM
CCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)N(Cc1cnn(C)c1)C(C)C	ZINC000089274511	568909819	/nfs/dbraw/zinc/90/98/19/568909819.db2.gz	RQWUKQWKFOFAII-UHFFFAOYSA-N	-1	0	430.552	1.790	50	0		IDAARM
COc1ccc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c(OC)c1	ZINC000089434770	568924837	/nfs/dbraw/zinc/92/48/37/568924837.db2.gz	BUEHELABRVYNHU-UHFFFAOYSA-N	-1	0	426.834	1.807	50	0		IDAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[NH+]1CCN(c3ncccn3)CC1)cn2CCC(=O)[O-]	ZINC000036354332	569084243	/nfs/dbraw/zinc/08/42/43/569084243.db2.gz	QKFKBVIRFPDJFC-HXUWFJFHSA-N	-1	0	439.472	1.863	50	0		IDAARM
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NCCc3n[n-]c(=S)o3)cc(C(C)C)nc21	ZINC000170600544	569142743	/nfs/dbraw/zinc/14/27/43/569142743.db2.gz	IUSVISICASCUAW-UHFFFAOYSA-N	-1	0	432.506	1.508	50	0		IDAARM
CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)c1	ZINC000170610574	569145029	/nfs/dbraw/zinc/14/50/29/569145029.db2.gz	NSBMYBZBLHFLNE-UHFFFAOYSA-N	-1	0	443.453	1.459	50	0		IDAARM
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-]	ZINC000002125019	569184008	/nfs/dbraw/zinc/18/40/08/569184008.db2.gz	GLNCOTXYXGERHA-YUNKPMOVSA-N	-1	0	444.484	1.701	50	0	biogenic	IDAARM
CSC[C@H](NC(=O)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-]	ZINC000252694630	569210860	/nfs/dbraw/zinc/21/08/60/569210860.db2.gz	NPQAQXMWDAMBJC-VNQPRFMTSA-N	-1	0	437.518	1.225	50	0	biogenic	IDAARM
C[C@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000252694904	569210973	/nfs/dbraw/zinc/21/09/73/569210973.db2.gz	RSCLXFAWZIXTNW-AJNGGQMLSA-N	-1	0	443.566	1.808	50	0	biogenic	IDAARM
COc1cc([C@H](CC(=O)NCCc2c[nH]cn2)c2c([O-])cc(C)oc2=O)cc2c1OCO2	ZINC000253471652	569282719	/nfs/dbraw/zinc/28/27/19/569282719.db2.gz	WUEQHRAQDDCNFN-HNNXBMFYSA-N	-1	0	441.440	1.995	50	0		IDAARM
Cc1cc(Br)cc(C(=O)[O-])c1NS(=O)(=O)c1ccc(S(N)(=O)=O)cc1	ZINC000078808895	569319178	/nfs/dbraw/zinc/31/91/78/569319178.db2.gz	UXDUZHRNJGHRCC-UHFFFAOYSA-N	-1	0	449.304	1.904	50	0		IDAARM
Cc1ccc(F)c(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)c1	ZINC000079105807	569325627	/nfs/dbraw/zinc/32/56/27/569325627.db2.gz	VTKHKINPERZCET-UHFFFAOYSA-N	-1	0	434.449	1.428	50	0		IDAARM
CCOc1ccc(-n2c(=O)[nH]c([O-])c([C@H]3NCCc4cc(OC)c(OC)cc43)c2=O)cc1	ZINC000020113894	569334583	/nfs/dbraw/zinc/33/45/83/569334583.db2.gz	GSVXWGPGZDCDBV-FQEVSTJZSA-N	-1	0	439.468	1.882	50	0	biogenic	IDAARM
COc1c2c(cc3c1[C@H](c1c([O-])[nH]c(=O)n(-c4ccccc4F)c1=O)N(C)CC3)OCO2	ZINC000020412500	569364162	/nfs/dbraw/zinc/36/41/62/569364162.db2.gz	MARHQSIMVLSWQT-QGZVFWFLSA-N	-1	0	441.415	1.685	50	0	biogenic	IDAARM
Cc1nc(CN(C)C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)no1	ZINC000095465076	569370688	/nfs/dbraw/zinc/37/06/88/569370688.db2.gz	FMOYLQUNWNCBNP-UHFFFAOYSA-N	-1	0	442.457	1.621	50	0		IDAARM
O=S(=O)(CCO)c1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cc1	ZINC000095993797	569378507	/nfs/dbraw/zinc/37/85/07/569378507.db2.gz	YVAMCMFORWMPPG-UHFFFAOYSA-N	-1	0	440.421	1.590	50	0		IDAARM
O=C(c1snc2c1nc([O-])n(Cc1ccccc1)c2=O)N1CCN(c2ncccn2)CC1	ZINC000096396742	569399242	/nfs/dbraw/zinc/39/92/42/569399242.db2.gz	HUZZQBGVSKJZEC-UHFFFAOYSA-N	-1	0	449.496	1.359	50	0		IDAARM
CC(=O)N[C@H]1[C@@H](OCC(=O)[O-])[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccccc1	ZINC000230035307	569418239	/nfs/dbraw/zinc/41/82/39/569418239.db2.gz	DVENRNKFWMZEEL-XJZBYQAASA-N	-1	0	443.452	1.879	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000031772963	569457325	/nfs/dbraw/zinc/45/73/25/569457325.db2.gz	JAHRJFBXQITWCS-OAHLLOKOSA-N	-1	0	445.540	1.457	50	0		IDAARM
CCOC(=O)N1CCN(C(=O)CCn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)CC1	ZINC000008661806	569469866	/nfs/dbraw/zinc/46/98/66/569469866.db2.gz	VMLZSSOKRCONJZ-UHFFFAOYSA-N	-1	0	434.474	1.479	50	0		IDAARM
O=S(=O)([N-]c1cccc(-n2cnnn2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000008703976	569470276	/nfs/dbraw/zinc/47/02/76/569470276.db2.gz	LQPIFJDZLGENMV-UHFFFAOYSA-N	-1	0	434.503	1.248	50	0		IDAARM
CC(=O)N[C@@H]1[C@@H](OCC(=O)[O-])[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccccc1	ZINC000008765460	569474705	/nfs/dbraw/zinc/47/47/05/569474705.db2.gz	DVENRNKFWMZEEL-NDRNKPEZSA-N	-1	0	443.452	1.879	50	0	biogenic	IDAARM
COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1OC	ZINC000008771991	569475220	/nfs/dbraw/zinc/47/52/20/569475220.db2.gz	WGKALOXGHZGKAW-OAHLLOKOSA-N	-1	0	427.413	1.452	50	0	biogenic	IDAARM
Cc1nonc1CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000040267365	569497399	/nfs/dbraw/zinc/49/73/99/569497399.db2.gz	QJNWPSQLCRSENU-LJQANCHMSA-N	-1	0	431.424	1.500	50	0		IDAARM
O=C([O-])Cn1c(=O)c2c3c(sc2n(CC(=O)NCCc2ccccc2)c1=O)CCC3	ZINC000009059516	569499362	/nfs/dbraw/zinc/49/93/62/569499362.db2.gz	IHVQYQMAJHFUNF-UHFFFAOYSA-N	-1	0	427.482	1.157	50	0		IDAARM
CSCC[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@H](C(=O)[O-])C(C)C	ZINC000009130501	569506073	/nfs/dbraw/zinc/50/60/73/569506073.db2.gz	XQDAWIQTQMCMSY-HOCLYGCPSA-N	-1	0	433.534	1.913	50	0		IDAARM
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC2)cc1	ZINC000009186431	569510196	/nfs/dbraw/zinc/51/01/96/569510196.db2.gz	SPUMLLKKRBODPG-KRWDZBQOSA-N	-1	0	425.507	1.271	50	0		IDAARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000009465494	569537998	/nfs/dbraw/zinc/53/79/98/569537998.db2.gz	YAJGNVLBZJLWPU-RYUDHWBXSA-N	-1	0	429.520	1.890	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2	ZINC000009674899	569559243	/nfs/dbraw/zinc/55/92/43/569559243.db2.gz	RZZRTAUGFWTTAH-QZTJIDSGSA-N	-1	0	425.376	1.529	50	0		IDAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1	ZINC000009675575	569559327	/nfs/dbraw/zinc/55/93/27/569559327.db2.gz	DPSISPCLGVGVBZ-MOPGFXCFSA-N	-1	0	439.428	1.644	50	0		IDAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)cc1	ZINC000070840203	569560234	/nfs/dbraw/zinc/56/02/34/569560234.db2.gz	MMSFBEVHFNYNGQ-UHFFFAOYSA-N	-1	0	437.424	1.500	50	0		IDAARM
CSCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)[O-]	ZINC000009791502	569568248	/nfs/dbraw/zinc/56/82/48/569568248.db2.gz	UJYYIICGCLGEOJ-IOASZLSFSA-N	-1	0	430.548	1.421	50	0		IDAARM
Cc1ccnc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)ccc2C)c1	ZINC000065319024	569584564	/nfs/dbraw/zinc/58/45/64/569584564.db2.gz	FAONLBPVQDQSCP-UHFFFAOYSA-N	-1	0	443.485	2.022	50	0		IDAARM
CC(=O)N1CCc2cc(NS(=O)(=O)c3ccc4c(c3)N(CC(=O)[O-])C(=O)CO4)ccc21	ZINC000022990177	519632636	/nfs/dbraw/zinc/63/26/36/519632636.db2.gz	NINFWBHWTDKJLC-UHFFFAOYSA-N	-1	0	445.453	1.206	50	0		IDAARM
CCS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	ZINC000012507957	521690015	/nfs/dbraw/zinc/69/00/15/521690015.db2.gz	JJXHSARXACMQJS-UHFFFAOYSA-N	-1	0	432.545	1.531	50	0		IDAARM
CC[C@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2)CC1)C(=O)[O-]	ZINC000012887253	521955952	/nfs/dbraw/zinc/95/59/52/521955952.db2.gz	BIRWOOLCRFITRA-JQHSSLGASA-N	-1	0	433.574	1.825	50	0	biogenic	IDAARM
CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1	ZINC000012907797	521990402	/nfs/dbraw/zinc/99/04/02/521990402.db2.gz	ASDRZOVRJZCORG-BJMVGYQFSA-N	-1	0	436.511	1.786	50	0		IDAARM
COC(=O)C1=C(C)NC(=O)[C@]1([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F	ZINC000012402644	522875335	/nfs/dbraw/zinc/87/53/35/522875335.db2.gz	BSIMPUWNCMDUGH-HNNXBMFYSA-N	-1	0	449.432	1.990	50	0		IDAARM
CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)[N-]C[C@@H]2CCCO2)s1	ZINC000020486132	522889008	/nfs/dbraw/zinc/88/90/08/522889008.db2.gz	RVELTOKXBAMYBM-KBPBESRZSA-N	-1	0	426.520	1.792	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c1	ZINC000012732036	524643910	/nfs/dbraw/zinc/64/39/10/524643910.db2.gz	XISYSYGDGMKDBZ-HNNXBMFYSA-N	-1	0	438.527	1.755	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1	ZINC000022741128	524646075	/nfs/dbraw/zinc/64/60/75/524646075.db2.gz	HPVRZDHCWIDFPQ-LJQANCHMSA-N	-1	0	438.527	1.803	50	0		IDAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1	ZINC000012753567	525226438	/nfs/dbraw/zinc/22/64/38/525226438.db2.gz	FQVZZZKHTNUAPM-UHFFFAOYSA-N	-1	0	432.502	1.581	50	0		IDAARM
COc1ccc([C@H](CC(=O)[O-])NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc1OC	ZINC000012892141	525346132	/nfs/dbraw/zinc/34/61/32/525346132.db2.gz	WGKALOXGHZGKAW-HNNXBMFYSA-N	-1	0	427.413	1.039	50	0	biogenic	IDAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3nc(-c4cnccn4)no3)cc2)n1	ZINC000042381536	525697680	/nfs/dbraw/zinc/69/76/80/525697680.db2.gz	XTXBJHCAZGWHFR-UHFFFAOYSA-N	-1	0	438.429	1.678	50	0		IDAARM
COc1cccc(-n2c(=O)[nH]c([O-])c([C@H]3NCCc4cc(OC)c(OC)cc43)c2=O)c1	ZINC000020519144	525742910	/nfs/dbraw/zinc/74/29/10/525742910.db2.gz	ORSJLFFXTGOHRE-IBGZPJMESA-N	-1	0	425.441	1.492	50	0	biogenic	IDAARM
Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12	ZINC000012902564	526148156	/nfs/dbraw/zinc/14/81/56/526148156.db2.gz	QHHBVIGRDJSDLL-QKKBWIMNSA-N	-1	0	438.436	1.927	50	0	biogenic	IDAARM
COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(CNC(C)=O)cc2)cc1OC	ZINC000002634451	555790564	/nfs/dbraw/zinc/79/05/64/555790564.db2.gz	UWMNNUCQGFZMFZ-KRWDZBQOSA-N	-1	0	436.486	1.834	50	0		IDAARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nncn3C)cc2)n1	ZINC000002751049	555810390	/nfs/dbraw/zinc/81/03/90/555810390.db2.gz	QLIIPAZLNICTJS-UHFFFAOYSA-N	-1	0	433.519	1.754	50	0		IDAARM
COc1ccc(OC)c(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)c1	ZINC000002712524	556122359	/nfs/dbraw/zinc/12/23/59/556122359.db2.gz	WUYMCRIOEUCVMC-UHFFFAOYSA-N	-1	0	445.457	1.945	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1cccc(F)c1	ZINC000009748080	556307801	/nfs/dbraw/zinc/30/78/01/556307801.db2.gz	QBYBDDBHNXSDPH-QZTJIDSGSA-N	-1	0	425.376	1.529	50	0		IDAARM
O=c1c(C(c2ccccc2F)c2c(O)nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000013809979	556311582	/nfs/dbraw/zinc/31/15/82/556311582.db2.gz	IHQFXOKAASPXHA-UHFFFAOYSA-N	-1	0	446.485	1.742	50	0		IDAARM
O=C(Cn1[n-]c(=O)ccc1=O)NCc1nc2ccccc2c(NCCCc2ccccc2)n1	ZINC000014993217	556476202	/nfs/dbraw/zinc/47/62/02/556476202.db2.gz	DOEDEJAKNMFHCR-UHFFFAOYSA-N	-1	0	444.495	1.841	50	0		IDAARM
COc1cc(C)c(S(=O)(=O)[N-]c2cc(S(=O)(=O)NC3CC3)ccc2O)cc1OC	ZINC000072293460	556502687	/nfs/dbraw/zinc/50/26/87/556502687.db2.gz	XZRKPQVXQBJJBH-UHFFFAOYSA-N	-1	0	442.515	1.959	50	0		IDAARM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1-c1ccc(O)cc1	ZINC000013394503	556504311	/nfs/dbraw/zinc/50/43/11/556504311.db2.gz	HHFSXXFFCHTTBM-KRWDZBQOSA-N	-1	0	438.469	1.753	50	0		IDAARM
NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000030836152	556507485	/nfs/dbraw/zinc/50/74/85/556507485.db2.gz	LIEJZONPUXNLHP-ZWKOTPCHSA-N	-1	0	443.456	1.065	50	0		IDAARM
COCCOc1ccc(C(F)(F)F)cc1[N-]S(=O)(=O)c1cnn(CC(=O)OC)c1	ZINC000072301892	556525710	/nfs/dbraw/zinc/52/57/10/556525710.db2.gz	QSJBKNILURIVJZ-UHFFFAOYSA-N	-1	0	437.396	1.901	50	0		IDAARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(C2(C(=O)NCCN3CCOCC3)CC2)cc1	ZINC000033274737	556559110	/nfs/dbraw/zinc/55/91/10/556559110.db2.gz	SBSQQPIGEXQEJE-UHFFFAOYSA-N	-1	0	448.545	1.572	50	0		IDAARM
O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)NCCCc1n[nH]c(=O)[n-]1	ZINC000072311595	556587084	/nfs/dbraw/zinc/58/70/84/556587084.db2.gz	VFAGJXBRQQROOF-UHFFFAOYSA-N	-1	0	448.277	1.997	50	0		IDAARM
COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OCC(=O)[O-])cc1Br	ZINC000016361327	556602719	/nfs/dbraw/zinc/60/27/19/556602719.db2.gz	WCBWFSRLHGQYLH-AWEZNQCLSA-N	-1	0	429.223	1.722	50	0		IDAARM
COc1ccc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)NN2)cc1OC	ZINC000016994421	556652324	/nfs/dbraw/zinc/65/23/24/556652324.db2.gz	KQRRCSYMGYYRRN-SBCIHWNMSA-N	-1	0	436.468	1.818	50	0		IDAARM
COc1ccc([C@@H]2C/C(=C3\C(=O)[N-]C(=O)N(CCc4ccccc4)C3=O)NN2)cc1OC	ZINC000016994417	556652375	/nfs/dbraw/zinc/65/23/75/556652375.db2.gz	KQRRCSYMGYYRRN-BWGFTNSASA-N	-1	0	436.468	1.818	50	0		IDAARM
O=C([O-])[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)CN1CCCS1(=O)=O	ZINC000579271389	556657081	/nfs/dbraw/zinc/65/70/81/556657081.db2.gz	TXMTXVBGRSMRBV-AWEZNQCLSA-N	-1	0	444.307	1.078	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)[C@H](C)CS3(=O)=O)cc2)c(OC)c1	ZINC000011858202	556663582	/nfs/dbraw/zinc/66/35/82/556663582.db2.gz	DWJVYWLVPRUPJS-GFCCVEGCSA-N	-1	0	440.499	1.817	50	0		IDAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1	ZINC000011858355	556663782	/nfs/dbraw/zinc/66/37/82/556663782.db2.gz	SBRKDYPQATZKOD-UHFFFAOYSA-N	-1	0	438.483	1.765	50	0		IDAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2OC)cc1	ZINC000011858343	556663937	/nfs/dbraw/zinc/66/39/37/556663937.db2.gz	RBJLFCTWAKBPOP-UHFFFAOYSA-N	-1	0	440.499	1.961	50	0		IDAARM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1	ZINC000011906415	556671531	/nfs/dbraw/zinc/67/15/31/556671531.db2.gz	IVHOCFUUKKSBNE-UHFFFAOYSA-N	-1	0	438.483	1.731	50	0		IDAARM
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000018143441	556684993	/nfs/dbraw/zinc/68/49/93/556684993.db2.gz	IWMLCAVOPVNHSI-HOTGVXAUSA-N	-1	0	443.485	1.391	50	0		IDAARM
CCS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NC(C)(C)C)CC2)cc1C(=O)[O-]	ZINC000033259914	556899117	/nfs/dbraw/zinc/89/91/17/556899117.db2.gz	FXTOBGVWTSDYGY-UHFFFAOYSA-N	-1	0	426.539	1.183	50	0		IDAARM
O=C(c1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)c[nH]2)o1)N1CCOCC1	ZINC000033279566	557062335	/nfs/dbraw/zinc/06/23/35/557062335.db2.gz	MAWMPYOPYAIXLM-UHFFFAOYSA-N	-1	0	437.865	1.991	50	0		IDAARM
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)Nc3nn[nH]n3)[C@@H]21	ZINC000604406045	557239675	/nfs/dbraw/zinc/23/96/75/557239675.db2.gz	ZCXSRPDVLKFJCC-GOSISDBHSA-N	-1	0	449.427	1.361	50	0	biogenic	IDAARM
Cc1cc(NC(=O)[C@@H](C)OC(=O)[C@@H]2CCCN(C3=NS(=O)(=O)c4ccccc43)C2)on1	ZINC000011010547	557243218	/nfs/dbraw/zinc/24/32/18/557243218.db2.gz	OLFAYTLYDBUCAC-ZIAGYGMSSA-N	-1	0	446.485	1.714	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cccc(F)c4)c=3c2=O)cc1OC	ZINC000101169836	557259431	/nfs/dbraw/zinc/25/94/31/557259431.db2.gz	OSIBDANQJVOQNR-ROUUACIJSA-N	-1	0	427.392	1.775	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1OC	ZINC000101169924	557259585	/nfs/dbraw/zinc/25/95/85/557259585.db2.gz	HOVNRZDOSVQSFF-ROUUACIJSA-N	-1	0	445.382	1.914	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(F)ccc4F)c=3c2=O)cc1OC	ZINC000101169980	557259721	/nfs/dbraw/zinc/25/97/21/557259721.db2.gz	SIDFERKYXAITDQ-ROUUACIJSA-N	-1	0	445.382	1.914	50	0		IDAARM
COc1cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc(OC)c1	ZINC000101174296	557260624	/nfs/dbraw/zinc/26/06/24/557260624.db2.gz	YRIQNYYRZFVXLA-QZTJIDSGSA-N	-1	0	427.392	1.775	50	0		IDAARM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O	ZINC000072270786	557262492	/nfs/dbraw/zinc/26/24/92/557262492.db2.gz	NTMUCYJDGUIIIN-NSHDSACASA-N	-1	0	442.291	1.912	50	0		IDAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3OC)C2)c1[O-]	ZINC000101456424	557287036	/nfs/dbraw/zinc/28/70/36/557287036.db2.gz	KYVHTTJXAPHQHB-INIZCTEOSA-N	-1	0	430.461	1.757	50	0		IDAARM
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1ccc(Br)cc1	ZINC000101764604	557297773	/nfs/dbraw/zinc/29/77/73/557297773.db2.gz	KQWFFCOZHLZCBR-CYBMUJFWSA-N	-1	0	435.278	1.640	50	0		IDAARM
CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000032961917	557319455	/nfs/dbraw/zinc/31/94/55/557319455.db2.gz	YFGHYYNQIPUTQJ-UHFFFAOYSA-N	-1	0	433.486	1.807	50	0		IDAARM
O=C([C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCc2c(=O)n3[n-]ccc3nc2C1	ZINC000102990097	557414296	/nfs/dbraw/zinc/41/42/96/557414296.db2.gz	YALWOCIBNSVHHA-LLVKDONJSA-N	-1	0	429.839	1.753	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4cc(F)ccc4F)c=3c2=O)cc1OC	ZINC000101169982	557455797	/nfs/dbraw/zinc/45/57/97/557455797.db2.gz	SIDFERKYXAITDQ-MSOLQXFVSA-N	-1	0	445.382	1.914	50	0		IDAARM
Nc1nc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F	ZINC000003827556	557851608	/nfs/dbraw/zinc/85/16/08/557851608.db2.gz	DYDCPNMLZGFQTM-UHFFFAOYSA-N	-1	0	440.765	1.918	50	0	fda	IDAARM
C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]5O)cc4CC[C@H]3[C@@H]1CCC2=O	ZINC000004099004	562941726	/nfs/dbraw/zinc/94/17/26/562941726.db2.gz	FJAZVHYPASAQKM-JBAURARKSA-N	-1	0	446.496	1.383	50	0	endogenous,world	IDAARM
COC(=O)[C@@]([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)(NC(C)=O)C(F)(F)F	ZINC000008974583	562966439	/nfs/dbraw/zinc/96/64/39/562966439.db2.gz	HWCLMJPDYGVVLV-ZDUSSCGKSA-N	-1	0	425.410	1.679	50	0		IDAARM
COc1cc(OC)c([N-]S(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)cc1Cl	ZINC000009211456	562968217	/nfs/dbraw/zinc/96/82/17/562968217.db2.gz	FFTRHVDGDZQWAA-UHFFFAOYSA-N	-1	0	425.850	1.996	50	0		IDAARM
Cn1cccc(C(=O)N2CCC(C[N-]S(=O)(=O)c3c(F)cccc3F)CC2)c1=O	ZINC000043959839	568744473	/nfs/dbraw/zinc/74/44/73/568744473.db2.gz	STFIMQAHRUOHGK-UHFFFAOYSA-N	-1	0	425.457	1.494	50	0		IDAARM
CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])ccc12	ZINC000016042595	568868185	/nfs/dbraw/zinc/86/81/85/568868185.db2.gz	PBAIRUYFAXCEPT-OAHLLOKOSA-N	-1	0	433.461	1.451	50	0		IDAARM
CC(C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)[O-]	ZINC000012946026	568870879	/nfs/dbraw/zinc/87/08/79/568870879.db2.gz	MCFFHLINMWUGDL-KRWDZBQOSA-N	-1	0	426.491	1.084	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3cccnc3)[C@@H]2C1=O	ZINC000238901757	568910298	/nfs/dbraw/zinc/91/02/98/568910298.db2.gz	MLQZGIPLWFHGLW-XYDVIZCASA-N	-1	0	443.506	1.389	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccccc3)[C@@H]2C1=O	ZINC000239305853	568911056	/nfs/dbraw/zinc/91/10/56/568911056.db2.gz	GBYMFODZINXBOP-OWQURJOFSA-N	-1	0	442.518	1.994	50	0		IDAARM
O=[N+]([O-])c1ccc([O-])c(C=NN=c2nc(Nc3ccccc3)[nH]c(N3CCOCC3)n2)c1	ZINC000252591340	568925238	/nfs/dbraw/zinc/92/52/38/568925238.db2.gz	AZWYEBTWYCOWDW-UHFFFAOYSA-N	-1	0	436.432	2.512	50	0		IDAARM
Nc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)n1	ZINC000054362747	568940707	/nfs/dbraw/zinc/94/07/07/568940707.db2.gz	QVANTVREKNSASC-UHFFFAOYSA-N	-1	0	438.516	1.340	50	0		IDAARM
O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCCC3)CC2)c2ccc(F)cc21	ZINC000036356878	569084470	/nfs/dbraw/zinc/08/44/70/569084470.db2.gz	YGWIPOIYLUPEAI-NRFANRHFSA-N	-1	0	446.479	1.231	50	0		IDAARM
Cc1c(C)[n+]([O-])c([C@@H](c2ccc(Cl)cc2Cl)c2c([O-])[nH]c(=O)[nH]c2=O)n1CCO	ZINC000524733540	569127873	/nfs/dbraw/zinc/12/78/73/569127873.db2.gz	UYZDIQOOVKVBOW-ZDUSSCGKSA-N	-1	0	441.271	1.152	50	0		IDAARM
O=C([O-])COc1ccccc1C=NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	ZINC000253388797	569148976	/nfs/dbraw/zinc/14/89/76/569148976.db2.gz	LARQXQFJQLSSDJ-UHFFFAOYSA-N	-1	0	431.470	1.698	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1OC	ZINC000013689273	569156553	/nfs/dbraw/zinc/15/65/53/569156553.db2.gz	GGWRCHHPIXDIIA-LBPRGKRZSA-N	-1	0	440.499	1.817	50	0		IDAARM
COc1cc2oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c2cc1OC	ZINC000002115904	569182461	/nfs/dbraw/zinc/18/24/61/569182461.db2.gz	LAQKJWXMPWDXOJ-IBGZPJMESA-N	-1	0	434.445	1.003	50	0	biogenic	IDAARM
COc1cc(OC)c2c(C)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc2c1	ZINC000002120117	569182863	/nfs/dbraw/zinc/18/28/63/569182863.db2.gz	CSWVPVSTVNJBQA-IBGZPJMESA-N	-1	0	434.445	1.003	50	0	biogenic	IDAARM
CCCCCOC(=O)[N-]c1nc(=O)n([C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1F	ZINC000022056619	569257442	/nfs/dbraw/zinc/25/74/42/569257442.db2.gz	WMJHGZFQHPCWQZ-LUDXLNSESA-N	-1	0	443.428	1.902	50	0		IDAARM
COc1cc([C@@H](CC(=O)NCCc2c[nH]cn2)c2c([O-])cc(C)oc2=O)cc2c1OCO2	ZINC000253471653	569282663	/nfs/dbraw/zinc/28/26/63/569282663.db2.gz	WUEQHRAQDDCNFN-OAHLLOKOSA-N	-1	0	441.440	1.995	50	0		IDAARM
CC(=O)N[C@H]1[C@@H](OCC(=O)[O-])[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccccc1	ZINC000253498148	569283297	/nfs/dbraw/zinc/28/32/97/569283297.db2.gz	DVENRNKFWMZEEL-OXBGMMKJSA-N	-1	0	443.452	1.879	50	0		IDAARM
CCc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1ccc(C(=O)[O-])cc1)CN=3)C(=O)N2	ZINC000020070097	569333348	/nfs/dbraw/zinc/33/33/48/569333348.db2.gz	JMMUNAJPOMETGP-ZCXUNETKSA-N	-1	0	434.477	1.376	50	0		IDAARM
CCc1ccc2c(c1)/C(=c1/sc3n(c1=O)CN(c1cccc(C(=O)[O-])c1)CN=3)C(=O)N2	ZINC000020070098	569333401	/nfs/dbraw/zinc/33/34/01/569333401.db2.gz	KZDHCWNNOOSPGG-ZCXUNETKSA-N	-1	0	434.477	1.376	50	0		IDAARM
COc1c2c(cc3c1[C@@H](c1c(=O)[nH]c(=O)n(Cc4ccccc4)c1[O-])N(C)CC3)OCO2	ZINC000020111468	569334452	/nfs/dbraw/zinc/33/44/52/569334452.db2.gz	APQDIRFZJARDGZ-SFHVURJKSA-N	-1	0	437.452	1.605	50	0	biogenic	IDAARM
CCOC(=O)Cn1c2ccc(S(=O)(=O)[N-]c3ccc(OC)cc3OC)cc2oc1=O	ZINC000020287012	569359166	/nfs/dbraw/zinc/35/91/66/569359166.db2.gz	GZYPGCBSGDTLGX-UHFFFAOYSA-N	-1	0	436.442	1.976	50	0		IDAARM
COC(=O)c1cncc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)c1	ZINC000095444302	569366999	/nfs/dbraw/zinc/36/69/99/569366999.db2.gz	QCCJVQBZCPWBGQ-UHFFFAOYSA-N	-1	0	431.467	1.958	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c1	ZINC000095964553	569377185	/nfs/dbraw/zinc/37/71/85/569377185.db2.gz	WPDVVYRGILRWQP-UHFFFAOYSA-N	-1	0	430.442	1.433	50	0		IDAARM
Cc1cc(C(=O)NC[C@H]2COC3(CCOCC3)O2)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000095992250	569378369	/nfs/dbraw/zinc/37/83/69/569378369.db2.gz	FNXVTQYZKHXJCD-ZDUSSCGKSA-N	-1	0	438.424	1.908	50	0		IDAARM
COC(=O)CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)cc1	ZINC000095995709	569378636	/nfs/dbraw/zinc/37/86/36/569378636.db2.gz	WAJFCEADSKKSSL-UHFFFAOYSA-N	-1	0	448.469	1.915	50	0		IDAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(=O)n(C)n3)cc2)nc(C)n1	ZINC000096123955	569385257	/nfs/dbraw/zinc/38/52/57/569385257.db2.gz	VCOUAYJAFZSZEZ-UHFFFAOYSA-N	-1	0	442.501	1.559	50	0		IDAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccc(=O)n(C)n3)cc2)n1	ZINC000096123956	569385276	/nfs/dbraw/zinc/38/52/76/569385276.db2.gz	ZFUXZWBVXJYANZ-UHFFFAOYSA-N	-1	0	428.474	1.251	50	0		IDAARM
COC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096221697	569386993	/nfs/dbraw/zinc/38/69/93/569386993.db2.gz	MZSQYROFOZIGGU-CQSZACIVSA-N	-1	0	426.425	1.494	50	0	biogenic	IDAARM
COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)c1	ZINC000058166949	569449450	/nfs/dbraw/zinc/44/94/50/569449450.db2.gz	PRAOSULDGYCSGA-RUDMXATFSA-N	-1	0	445.457	1.667	50	0		IDAARM
COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC(=O)[O-]	ZINC000008662342	569469923	/nfs/dbraw/zinc/46/99/23/569469923.db2.gz	HXYVBSCYNUKBNO-DHDCSXOGSA-N	-1	0	436.442	1.054	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000008791212	569476150	/nfs/dbraw/zinc/47/61/50/569476150.db2.gz	JOFBCJSJNSSHRO-QIJLZVCCSA-N	-1	0	445.516	1.655	50	0	biogenic	IDAARM
CC(C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000008877504	569481218	/nfs/dbraw/zinc/48/12/18/569481218.db2.gz	UVELKMNWTXVIMC-STECZYCISA-N	-1	0	434.493	1.154	50	0	biogenic	IDAARM
CSCC[C@H](NC(=O)C1CCN(C(=O)[C@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000008918128	569486226	/nfs/dbraw/zinc/48/62/26/569486226.db2.gz	SJUGNYPEIVWOKQ-JSGCOSHPSA-N	-1	0	431.555	1.461	50	0	biogenic	IDAARM
CSC[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008970888	569492006	/nfs/dbraw/zinc/49/20/06/569492006.db2.gz	NOYPLWXKHCPAQM-DLBZAZTESA-N	-1	0	427.482	1.818	50	0	biogenic	IDAARM
CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nnc([N-]S(C)(=O)=O)s2)c1	ZINC000040150298	569493148	/nfs/dbraw/zinc/49/31/48/569493148.db2.gz	SQGHIZKDLIMTMR-UHFFFAOYSA-N	-1	0	433.537	1.192	50	0		IDAARM
COc1ccc(CCNC(=O)c2nc3n(n2)-c2ccccc2S(=O)(=O)[N-]3)cc1OC	ZINC000069564584	569507281	/nfs/dbraw/zinc/50/72/81/569507281.db2.gz	HPYJJKLZMDHMFK-UHFFFAOYSA-N	-1	0	429.458	1.371	50	0		IDAARM
Cc1oc(NC(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)c2c1c(C)n[nH]c2=O	ZINC000009468892	569538721	/nfs/dbraw/zinc/53/87/21/569538721.db2.gz	QCYJXLUSKAKWBB-UHFFFAOYSA-N	-1	0	434.430	1.300	50	0		IDAARM
CC(C)n1c([O-])c([C@H]2c3ccc(O)cc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O	ZINC000009488342	569539884	/nfs/dbraw/zinc/53/98/84/569539884.db2.gz	NQWWSJUFPRVTIR-CYBMUJFWSA-N	-1	0	442.428	1.246	50	0		IDAARM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000009631578	569553779	/nfs/dbraw/zinc/55/37/79/569553779.db2.gz	IWWGBRNLBJOXGN-UHFFFAOYSA-N	-1	0	426.516	1.825	50	0		IDAARM
COCCOc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c(C(=O)[O-])cc1OC	ZINC000010511860	569582670	/nfs/dbraw/zinc/58/26/70/569582670.db2.gz	LSAXBLMFYXMOSY-UHFFFAOYSA-N	-1	0	439.442	1.991	50	0		IDAARM
CCOc1nc(F)cc2nc(S(=O)(=O)[N-]c3c(Cl)cccc3C(=O)OC)nn21	ZINC000000900525	291321593	/nfs/dbraw/zinc/32/15/93/291321593.db2.gz	BIKACRYIQSLICJ-UHFFFAOYSA-N	-1	0	429.817	1.903	50	0	endogenous,in-man	IDAARM
CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000009130504	132305941	/nfs/dbraw/zinc/30/59/41/132305941.db2.gz	NXPBFYJZXGLYMJ-PXNSSMCTSA-N	-1	0	438.484	1.991	50	0		IDAARM
O=C(CN1C(=O)COc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000009222476	132309501	/nfs/dbraw/zinc/30/95/01/132309501.db2.gz	RNUHORPVXKTKDB-UHFFFAOYSA-N	-1	0	439.453	1.642	50	0		IDAARM
CCOCCOc1ccc(-c2nnc(CCC(=O)N3CCOCC3)c(=O)[n-]2)cc1OC	ZINC000034766901	520040189	/nfs/dbraw/zinc/04/01/89/520040189.db2.gz	WRNNKHWVLRYFHY-UHFFFAOYSA-N	-1	0	432.477	1.460	50	0		IDAARM
COc1ccc(Cn2c(=O)[nH]c([O-])c([C@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)cc1	ZINC000012658083	524256388	/nfs/dbraw/zinc/25/63/88/524256388.db2.gz	WOHKVQKOIYVPDL-KRWDZBQOSA-N	-1	0	440.408	1.576	50	0	biogenic	IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000012732032	524645832	/nfs/dbraw/zinc/64/58/32/524645832.db2.gz	XISYSYGDGMKDBZ-OAHLLOKOSA-N	-1	0	438.527	1.755	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NCCCN2CCOCC2)cc1	ZINC000021896168	524646218	/nfs/dbraw/zinc/64/62/18/524646218.db2.gz	ZSBPQTBPZSFQGC-UHFFFAOYSA-N	-1	0	433.530	1.948	50	0		IDAARM
Cc1cn2c(nc3c2c(=O)n(Cc2c(Cl)cccc2Cl)c(=O)n3C)n1CC(=O)[O-]	ZINC000012551606	525942208	/nfs/dbraw/zinc/94/22/08/525942208.db2.gz	PQJYKPAZFWDWOO-UHFFFAOYSA-N	-1	0	436.255	1.898	50	0		IDAARM
NC(=O)c1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCSC[C@H]43)C2=O)cc1	ZINC000036056358	527056165	/nfs/dbraw/zinc/05/61/65/527056165.db2.gz	DDMCZWSOIGUACF-JTSKRJEESA-N	-1	0	436.493	1.533	50	0		IDAARM
O=C([O-])C1CCN([C@H]2CC(=O)N(c3ccc(I)cc3)C2=O)CC1	ZINC000012374523	527565082	/nfs/dbraw/zinc/56/50/82/527565082.db2.gz	QHJWNKODQVEOGV-ZDUSSCGKSA-N	-1	0	428.226	1.720	50	0		IDAARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3Br)c(=O)c1-2	ZINC000008416440	556167722	/nfs/dbraw/zinc/16/77/22/556167722.db2.gz	WZDRINMQXQMNQM-ZJUUUORDSA-N	-1	0	445.067	1.592	50	0		IDAARM
Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])c(C)cc1Cl	ZINC000014128741	556373792	/nfs/dbraw/zinc/37/37/92/556373792.db2.gz	SKRRVSPYGLAHOP-NWANDNLSSA-N	-1	0	430.910	1.156	50	0		IDAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1Cc1ccco1	ZINC000013408453	556504857	/nfs/dbraw/zinc/50/48/57/556504857.db2.gz	XUJBHMMCFDEXEU-MRXNPFEDSA-N	-1	0	426.458	1.700	50	0		IDAARM
COC(=O)[C@@H](N)Cc1cc(I)c([O-])c(I)c1	ZINC000015119189	556504949	/nfs/dbraw/zinc/50/49/49/556504949.db2.gz	TWUDQOSVGDGRHW-QMMMGPOBSA-N	-1	0	447.010	1.644	50	0		IDAARM
COCCCNC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1	ZINC000015919316	556563652	/nfs/dbraw/zinc/56/36/52/556563652.db2.gz	ROABQAIEIZPSNE-UHFFFAOYSA-N	-1	0	441.535	1.618	50	0		IDAARM
Cn1c2nc(SCC(=O)[O-])n(Cc3ccc(Cl)cc3Cl)c2c(=O)n(C)c1=O	ZINC000013635696	556705742	/nfs/dbraw/zinc/70/57/42/556705742.db2.gz	RODJLRSHNODURA-UHFFFAOYSA-N	-1	0	429.285	1.966	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CCN(CC(N)=O)CC2)c1	ZINC000010657407	556775553	/nfs/dbraw/zinc/77/55/53/556775553.db2.gz	FCGNAZYBWWXOQX-UHFFFAOYSA-N	-1	0	446.529	1.176	50	0		IDAARM
NC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cc(C(N)=O)c1	ZINC000002639986	556801659	/nfs/dbraw/zinc/80/16/59/556801659.db2.gz	JRJUVJCVHMDWGF-UHFFFAOYSA-N	-1	0	444.494	1.999	50	0		IDAARM
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1	ZINC000059777514	556804433	/nfs/dbraw/zinc/80/44/33/556804433.db2.gz	VOZQYPGTALPSHP-UHFFFAOYSA-N	-1	0	426.380	1.755	50	0		IDAARM
Cc1cccc(NC(=O)CN2CCN(c3ccc(C(=O)[O-])cc3NS(C)(=O)=O)CC2)c1	ZINC000033253298	556893335	/nfs/dbraw/zinc/89/33/35/556893335.db2.gz	CDYVABOXTNSFHC-UHFFFAOYSA-N	-1	0	446.529	1.825	50	0		IDAARM
O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000096900483	556993310	/nfs/dbraw/zinc/99/33/10/556993310.db2.gz	GHEORYNPUWJOCH-HOTGVXAUSA-N	-1	0	441.469	1.167	50	0		IDAARM
O=C([O-])[C@@H]1Cc2cc(I)c([O-])c(I)c2C[NH2+]1	ZINC000085223727	557100916	/nfs/dbraw/zinc/10/09/16/557100916.db2.gz	FGHLNNQVWGFFNZ-ZETCQYMHSA-N	-1	0	444.994	1.700	50	0		IDAARM
Cn1c(=O)oc2ccc(S(=O)(=O)[N-]c3cnn(C[C@H]4COc5ccccc5O4)c3)cc21	ZINC000206848100	557166655	/nfs/dbraw/zinc/16/66/55/557166655.db2.gz	FJRJQFOVIAZTRK-AWEZNQCLSA-N	-1	0	442.453	1.969	50	0		IDAARM
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O	ZINC000025098807	557195453	/nfs/dbraw/zinc/19/54/53/557195453.db2.gz	OJCGKVZFHLWYSX-UHFFFAOYSA-N	-1	0	426.470	1.182	50	0		IDAARM
COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccnc(-n4cccn4)c3)cc2)[n-]1	ZINC000025123434	557195853	/nfs/dbraw/zinc/19/58/53/557195853.db2.gz	DOJKOAFWHCBAKN-UHFFFAOYSA-N	-1	0	432.440	1.392	50	0		IDAARM
CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1	ZINC000018202490	557251142	/nfs/dbraw/zinc/25/11/42/557251142.db2.gz	NGRMHTNKLNULNF-ZWKOTPCHSA-N	-1	0	439.403	1.934	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1Cl	ZINC000101168928	557258932	/nfs/dbraw/zinc/25/89/32/557258932.db2.gz	QRQFQYWDQAJKGY-ZWKOTPCHSA-N	-1	0	427.848	1.958	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2	ZINC000101169299	557259152	/nfs/dbraw/zinc/25/91/52/557259152.db2.gz	AFGXUIHMTQMHMH-ZWKOTPCHSA-N	-1	0	443.366	1.668	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc2c(c1)OCO2	ZINC000101169293	557259241	/nfs/dbraw/zinc/25/92/41/557259241.db2.gz	GOEJWZSECZPHNV-IRXDYDNUSA-N	-1	0	429.339	1.625	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(C)cc4)c=3c2=O)cc1OC	ZINC000101390234	557282873	/nfs/dbraw/zinc/28/28/73/557282873.db2.gz	OGHYYWRBRHLBDP-VQTJNVASSA-N	-1	0	437.456	1.622	50	0		IDAARM
COc1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(Cc4ccccc4)c3[O-])=NN2C(C)=O)cc1	ZINC000101456288	557286578	/nfs/dbraw/zinc/28/65/78/557286578.db2.gz	HWKVMKCWEOBUGQ-LJQANCHMSA-N	-1	0	434.452	1.997	50	0		IDAARM
CCC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@H]1c1ccc(Br)cc1	ZINC000101764599	557297765	/nfs/dbraw/zinc/29/77/65/557297765.db2.gz	KQWFFCOZHLZCBR-ZDUSSCGKSA-N	-1	0	435.278	1.640	50	0		IDAARM
O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCc2c(=O)n3[n-]ccc3nc2C1	ZINC000102990100	557414354	/nfs/dbraw/zinc/41/43/54/557414354.db2.gz	YALWOCIBNSVHHA-NSHDSACASA-N	-1	0	429.839	1.753	50	0		IDAARM
O=C([C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1)N1CCc2nc3cc[n-]n3c(=O)c2C1	ZINC000102990614	557415685	/nfs/dbraw/zinc/41/56/85/557415685.db2.gz	ODEOXVNHFZYQBB-NSHDSACASA-N	-1	0	429.839	1.753	50	0		IDAARM
COCC(=O)Nc1ccc(N2CCN(CC(=O)N3CCCCCC3)CC2)cc1C(=O)[O-]	ZINC000045967705	557557261	/nfs/dbraw/zinc/55/72/61/557557261.db2.gz	ZWDOYPNLQGMYPA-UHFFFAOYSA-N	-1	0	432.521	1.494	50	0		IDAARM
Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)NCC(=O)[O-])oc1c3CCCC1	ZINC000002097978	562925761	/nfs/dbraw/zinc/92/57/61/562925761.db2.gz	DWIYZXQGUNINNP-UHFFFAOYSA-N	-1	0	426.425	1.586	50	0	biogenic	IDAARM
COC(CNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc3c(c1)OCO3)c2=O)OC	ZINC000003051751	562932352	/nfs/dbraw/zinc/93/23/52/562932352.db2.gz	UGWOLQHBXJTCSN-UHFFFAOYSA-N	-1	0	443.481	1.811	50	0		IDAARM
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(=O)NCC(=O)[O-])CC1	ZINC000008917865	562966093	/nfs/dbraw/zinc/96/60/93/562966093.db2.gz	SVIYVSKTJDGYPD-KRWDZBQOSA-N	-1	0	433.505	1.562	50	0	biogenic	IDAARM
COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1	ZINC000009714618	562975842	/nfs/dbraw/zinc/97/58/42/562975842.db2.gz	ZOUTYKRZQPUJOV-UHFFFAOYSA-N	-1	0	442.515	1.526	50	0		IDAARM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1Br	ZINC000015230407	568735094	/nfs/dbraw/zinc/73/50/94/568735094.db2.gz	DWMLTFZFDKNDHE-MDWZMJQESA-N	-1	0	444.241	1.980	50	0		IDAARM
Cc1c(C)[n+]([O-])c([C@H](c2ccncc2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263588124	568760967	/nfs/dbraw/zinc/76/09/67/568760967.db2.gz	PIEPZHZYMJMGGU-LJQANCHMSA-N	-1	0	447.495	1.980	50	0		IDAARM
Cc1c(C)[n+]([O-])c([C@@H](c2ccncc2)c2c([O-])n(C)c(=O)n(C)c2=O)n1Cc1ccccc1	ZINC000263588123	568761041	/nfs/dbraw/zinc/76/10/41/568761041.db2.gz	PIEPZHZYMJMGGU-IBGZPJMESA-N	-1	0	447.495	1.980	50	0		IDAARM
COc1cccc(C2=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3S(=O)(=O)[N-]2)c1	ZINC000015682407	568807290	/nfs/dbraw/zinc/80/72/90/568807290.db2.gz	FXHIPEBRTNTUCA-UHFFFAOYSA-N	-1	0	437.499	1.086	50	0		IDAARM
CCCCC1C(=O)N=C(SCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)N=C1[O-]	ZINC000015958243	568860325	/nfs/dbraw/zinc/86/03/25/568860325.db2.gz	OSMULSLUVUBSGB-KGLIPLIRSA-N	-1	0	430.530	1.718	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@H]4c3cccnc3)[C@@H]2C1=O	ZINC000238901758	568910313	/nfs/dbraw/zinc/91/03/13/568910313.db2.gz	MLQZGIPLWFHGLW-YGDNUDADSA-N	-1	0	443.506	1.389	50	0		IDAARM
Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O	ZINC000245310090	568914641	/nfs/dbraw/zinc/91/46/41/568914641.db2.gz	HNRXJCZEOHTRIT-YZNWFPQRSA-N	-1	0	443.463	1.927	50	0		IDAARM
CC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036353311	569083890	/nfs/dbraw/zinc/08/38/90/569083890.db2.gz	OVTAJQDPZLOQGB-QGZVFWFLSA-N	-1	0	438.278	1.778	50	0		IDAARM
Cc1ccc(-c2noc(C(=O)N3CCOCC3)n2)cc1S(=O)(=O)[N-]c1ccccn1	ZINC000065319056	569134611	/nfs/dbraw/zinc/13/46/11/569134611.db2.gz	MHOOUEQFESVVFJ-UHFFFAOYSA-N	-1	0	429.458	1.713	50	0		IDAARM
COc1cccc(-n2c(=O)cc([O-])nc2SCC(=O)Nc2sccc2C(N)=O)c1	ZINC000065576002	569139775	/nfs/dbraw/zinc/13/97/75/569139775.db2.gz	UBIICBAJKMNZAP-UHFFFAOYSA-N	-1	0	432.483	1.838	50	0		IDAARM
COc1ccc2c(C)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc2c1OC	ZINC000002118861	569182713	/nfs/dbraw/zinc/18/27/13/569182713.db2.gz	RMQHYTWVRFBXPD-KRWDZBQOSA-N	-1	0	434.445	1.003	50	0	biogenic	IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-]	ZINC000002125445	569183922	/nfs/dbraw/zinc/18/39/22/569183922.db2.gz	CKVSERXQEKUOME-ODXCJYRJSA-N	-1	0	432.473	1.774	50	0	biogenic	IDAARM
O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1	ZINC000253410483	569265765	/nfs/dbraw/zinc/26/57/65/569265765.db2.gz	CBWGGRBKSYSXSN-MRXNPFEDSA-N	-1	0	433.534	1.683	50	0		IDAARM
CS(=O)(=O)N1CCN([C@H](c2sc3ncnn3c2[O-])c2cc(F)c(F)c(F)c2)CC1	ZINC000252510409	569288162	/nfs/dbraw/zinc/28/81/62/569288162.db2.gz	ZJLRSRQIMYCHKI-ZDUSSCGKSA-N	-1	0	447.464	1.580	50	0		IDAARM
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1	ZINC000328592078	569317148	/nfs/dbraw/zinc/31/71/48/569317148.db2.gz	WCARTRABIFRKLR-CJNGLKHVSA-N	-1	0	437.497	1.804	50	0		IDAARM
CCCCC[C@@H](NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)[O-]	ZINC000095989703	569378225	/nfs/dbraw/zinc/37/82/25/569378225.db2.gz	WWTDHCKIYFCWPN-OAHLLOKOSA-N	-1	0	438.550	1.906	50	0		IDAARM
O=C(CC[N-]S(=O)(=O)c1c(F)cccc1F)N1CC(n2cc(-c3ccccc3)nn2)C1	ZINC000225662222	569406462	/nfs/dbraw/zinc/40/64/62/569406462.db2.gz	OEKKPYJUDCQCSW-UHFFFAOYSA-N	-1	0	447.467	1.975	50	0		IDAARM
CC(C)CN1C(=O)NC(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCCCC[C@H]32)C1=O	ZINC000230005212	569417167	/nfs/dbraw/zinc/41/71/67/569417167.db2.gz	SFSFCPFIULJWDS-HJPURHCSSA-N	-1	0	437.500	1.925	50	0		IDAARM
Cc1nn(CCC(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)c(C)c1Br	ZINC000002785974	569421324	/nfs/dbraw/zinc/42/13/24/569421324.db2.gz	XUYFIZCSLJANOL-IUODEOHRSA-N	-1	0	443.323	1.411	50	0		IDAARM
C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000008733268	569472500	/nfs/dbraw/zinc/47/25/00/569472500.db2.gz	XEFYLLYIUVFEEH-YJBOKZPZSA-N	-1	0	447.532	1.950	50	0	biogenic	IDAARM
CC1=NN(CC(=O)[O-])c2nc3c(c(=O)n(Cc4c(F)cccc4Cl)c(=O)n3C)n2C1	ZINC000008991109	569495245	/nfs/dbraw/zinc/49/52/45/569495245.db2.gz	VDNSGJITEQYZBO-UHFFFAOYSA-N	-1	0	434.815	1.018	50	0		IDAARM
NC(=O)NCCC[C@@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-]	ZINC000040308956	569498694	/nfs/dbraw/zinc/49/86/94/569498694.db2.gz	PNLACOFCRVYEKU-CYBMUJFWSA-N	-1	0	425.283	1.812	50	0	biogenic	IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccco3)[C@@H]2C1=O	ZINC000245236686	569500418	/nfs/dbraw/zinc/50/04/18/569500418.db2.gz	VEAZGPPZOQXRGA-VSMXJBNFSA-N	-1	0	432.479	1.587	50	0		IDAARM
Cc1ccc(-c2nnc(CCC(=O)N3CCN(CC(=O)N4CCCC4)CC3)c(=O)[n-]2)cc1	ZINC000040426243	569502981	/nfs/dbraw/zinc/50/29/81/569502981.db2.gz	OGKFMBHDWBKKTI-UHFFFAOYSA-N	-1	0	438.532	1.252	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CCCNC(N)=O)ccc2OC)cc1	ZINC000009130212	569506010	/nfs/dbraw/zinc/50/60/10/569506010.db2.gz	BRVNQYMNMWKBOZ-UHFFFAOYSA-N	-1	0	436.490	1.892	50	0		IDAARM
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])C2)cc1	ZINC000009305367	569521208	/nfs/dbraw/zinc/52/12/08/569521208.db2.gz	DQYUANMGUUYLIH-PXNSSMCTSA-N	-1	0	446.525	1.908	50	0		IDAARM
O=C([O-])c1cnc2ccc(S(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)cc2c1O	ZINC000009495278	569540985	/nfs/dbraw/zinc/54/09/85/569540985.db2.gz	OXJDXWCANSILPL-OLZOCXBDSA-N	-1	0	441.465	1.196	50	0	biogenic	IDAARM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1cccc(C)c1	ZINC000009613480	569553028	/nfs/dbraw/zinc/55/30/28/569553028.db2.gz	FPAUMUAOXWGPAK-UHFFFAOYSA-N	-1	0	426.516	1.825	50	0		IDAARM
O=C(NCC(F)(F)F)c1nnn(-c2ccc([N-]S(=O)(=O)c3cccnc3)cc2)n1	ZINC000071005445	569566572	/nfs/dbraw/zinc/56/65/72/569566572.db2.gz	YRKACJWNCDMUDJ-UHFFFAOYSA-N	-1	0	427.368	1.150	50	0		IDAARM
O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ncccn2)CC1	ZINC000002966831	132259762	/nfs/dbraw/zinc/25/97/62/132259762.db2.gz	ROIBGKZTYPMROQ-INIZCTEOSA-N	-1	0	435.513	1.273	50	0		IDAARM
Cc1ccc([C@@H](CC(=O)[O-])Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	ZINC000008680445	132290153	/nfs/dbraw/zinc/29/01/53/132290153.db2.gz	WVSNBQMWNXFFPT-QGZVFWFLSA-N	-1	0	428.493	1.481	50	0		IDAARM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)cc1	ZINC000012236011	519726791	/nfs/dbraw/zinc/72/67/91/519726791.db2.gz	IMNBZIGGQVAOEW-MRXNPFEDSA-N	-1	0	426.520	1.619	50	0		IDAARM
CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2cnc3cc(OC)c(OC)cc3c2=O)c1	ZINC000020745075	521689997	/nfs/dbraw/zinc/68/99/97/521689997.db2.gz	SWALWNWZHRAXRP-UHFFFAOYSA-N	-1	0	447.469	1.552	50	0		IDAARM
CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000012886072	521969191	/nfs/dbraw/zinc/96/91/91/521969191.db2.gz	JOFBCJSJNSSHRO-OFVDUGFESA-N	-1	0	445.516	1.655	50	0	biogenic	IDAARM
COC(=O)c1sc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)c(C(=O)OC)c1C	ZINC000012557100	522427964	/nfs/dbraw/zinc/42/79/64/522427964.db2.gz	BDNZUDSBUFSLHA-UHFFFAOYSA-N	-1	0	448.500	1.078	50	0		IDAARM
COC(=O)C1=C(C)NC(=O)[C@@]1([N-]c1nc2ccc(S(C)(=O)=O)cc2s1)C(F)(F)F	ZINC000012402643	522876296	/nfs/dbraw/zinc/87/62/96/522876296.db2.gz	BSIMPUWNCMDUGH-OAHLLOKOSA-N	-1	0	449.432	1.990	50	0		IDAARM
COC(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1	ZINC000012525951	523207551	/nfs/dbraw/zinc/20/75/51/523207551.db2.gz	XNCPZJZOEFMITM-UHFFFAOYSA-N	-1	0	436.870	1.731	50	0		IDAARM
CN1CCN(C(=O)CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4cccc(Cl)c43)CC2)CC1	ZINC000020744908	523873575	/nfs/dbraw/zinc/87/35/75/523873575.db2.gz	FDOGEZZMAWTIRR-HXUWFJFHSA-N	-1	0	433.940	1.339	50	0		IDAARM
Cc1cccc(-c2nnc(SCC(=O)N(C)CC(=O)NC3CC3)n2CCC(=O)[O-])c1	ZINC000012775089	524125340	/nfs/dbraw/zinc/12/53/40/524125340.db2.gz	BAYLWSHGGHYPHK-UHFFFAOYSA-N	-1	0	431.518	1.557	50	0		IDAARM
COc1ccc(Cn2c(=O)[nH]c([O-])c([C@@H]3OC(=O)c4c3ccc(OC)c4OC)c2=O)cc1	ZINC000012658081	524256539	/nfs/dbraw/zinc/25/65/39/524256539.db2.gz	WOHKVQKOIYVPDL-QGZVFWFLSA-N	-1	0	440.408	1.576	50	0	biogenic	IDAARM
COc1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc1OC	ZINC000021154216	524683935	/nfs/dbraw/zinc/68/39/35/524683935.db2.gz	NEWWCGCOGRLXPF-UHFFFAOYSA-N	-1	0	437.518	1.932	50	0		IDAARM
C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@@H](C)O1	ZINC000012521237	524876991	/nfs/dbraw/zinc/87/69/91/524876991.db2.gz	BFGXWDGSPYATPS-CHWSQXEVSA-N	-1	0	430.486	1.906	50	0		IDAARM
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-]	ZINC000012889738	525588667	/nfs/dbraw/zinc/58/86/67/525588667.db2.gz	SCTNXQKCTLSROG-GJZGRUSLSA-N	-1	0	436.534	1.892	50	0	biogenic	IDAARM
Cc1cn2c(nc3c2c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)n3C)n1CC(=O)[O-]	ZINC000012558815	525944010	/nfs/dbraw/zinc/94/40/10/525944010.db2.gz	MZLZGKWUEKEENU-UHFFFAOYSA-N	-1	0	436.255	1.898	50	0		IDAARM
O=C([O-])c1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)NC(=O)N(C3CCCCC3)C2=O)cc1	ZINC000012429052	526381611	/nfs/dbraw/zinc/38/16/11/526381611.db2.gz	BGARIECHKROLBN-INIZCTEOSA-N	-1	0	449.407	1.806	50	0		IDAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C3CC3)cc2)nc(OC)n1	ZINC000002135762	555747267	/nfs/dbraw/zinc/74/72/67/555747267.db2.gz	ZGQLGVDZSLJIOC-UHFFFAOYSA-N	-1	0	437.503	1.518	50	0		IDAARM
CCOCCOc1ccc(-c2nnc(CCC(=O)NCCCOC)c(=O)[n-]2)cc1OC	ZINC000034766959	555906796	/nfs/dbraw/zinc/90/67/96/555906796.db2.gz	PMDYDMJQWVVRMS-UHFFFAOYSA-N	-1	0	434.493	1.753	50	0		IDAARM
[NH3+][C@@H](Cc1cc(I)c([O-])c(I)c1)C(=O)[O-]	ZINC000003861723	555949250	/nfs/dbraw/zinc/94/92/50/555949250.db2.gz	NYPYHUZRZVSYKL-ZETCQYMHSA-N	-1	0	432.983	1.556	50	0	endogenous,in-man	IDAARM
COc1ccccc1/C=C(/NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NCC(=O)[O-]	ZINC000004256712	555979355	/nfs/dbraw/zinc/97/93/55/555979355.db2.gz	PSCZPMRTCILKLK-OQLLNIDSSA-N	-1	0	444.440	1.693	50	0	biogenic	IDAARM
COc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)c(OC)c1	ZINC000002712523	556125991	/nfs/dbraw/zinc/12/59/91/556125991.db2.gz	QPFCENLEWIVJLI-UHFFFAOYSA-N	-1	0	445.457	1.945	50	0		IDAARM
O=C1CN(S(=O)(=O)c2cccc([N-]S(=O)(=O)c3ccccc3Cl)c2)CCN1	ZINC000032631762	556411690	/nfs/dbraw/zinc/41/16/90/556411690.db2.gz	RDFKWLUCTHJPHB-UHFFFAOYSA-N	-1	0	429.907	1.261	50	0		IDAARM
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)cc1	ZINC000013593226	556531232	/nfs/dbraw/zinc/53/12/32/556531232.db2.gz	IPSYLNVZRPKZBH-SFHVURJKSA-N	-1	0	439.534	1.661	50	0		IDAARM
CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)CN(C)C(N)=O)ccc2OC)cc1	ZINC000015704812	556544606	/nfs/dbraw/zinc/54/46/06/556544606.db2.gz	BKWWJBGGUAMMIY-UHFFFAOYSA-N	-1	0	436.490	1.844	50	0		IDAARM
Cc1ccccc1Cc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)[n-]c1=O	ZINC000036646236	556599676	/nfs/dbraw/zinc/59/96/76/556599676.db2.gz	JJJCSAYNTJZBFU-UHFFFAOYSA-N	-1	0	445.526	1.855	50	0		IDAARM
COc1cccc(-n2c(=O)[nH]c([O-])c([C@@H]3NCCc4cc(OC)c(OC)cc43)c2=O)c1	ZINC000016994781	556652463	/nfs/dbraw/zinc/65/24/63/556652463.db2.gz	ORSJLFFXTGOHRE-LJQANCHMSA-N	-1	0	425.441	1.492	50	0	biogenic	IDAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@@H](C)CS2(=O)=O)cc1	ZINC000011858233	556663469	/nfs/dbraw/zinc/66/34/69/556663469.db2.gz	GQXNVTRAICCEDO-LBPRGKRZSA-N	-1	0	438.483	1.587	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC	ZINC000011858339	556663749	/nfs/dbraw/zinc/66/37/49/556663749.db2.gz	BHOHGQPGEFVQKJ-UHFFFAOYSA-N	-1	0	426.472	1.571	50	0		IDAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C	ZINC000011858304	556663904	/nfs/dbraw/zinc/66/39/04/556663904.db2.gz	YAEFLVJWFRKCIB-UHFFFAOYSA-N	-1	0	438.483	1.649	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)C(=O)[O-]	ZINC000080355321	556739125	/nfs/dbraw/zinc/73/91/25/556739125.db2.gz	NVUYWGPFDXYIHC-YWPYICTPSA-N	-1	0	440.547	1.708	50	0		IDAARM
CCS(=O)(=O)Nc1cc(C(=O)[O-])ccc1N1CCN(CC(=O)NC(C)(C)C)CC1	ZINC000033253303	556893390	/nfs/dbraw/zinc/89/33/90/556893390.db2.gz	QZSCWFQWURVGDA-UHFFFAOYSA-N	-1	0	426.539	1.183	50	0		IDAARM
Cc1ccc(NC(=O)CN2CCN(c3ccc(NS(C)(=O)=O)cc3C(=O)[O-])CC2)cc1	ZINC000033253160	556893427	/nfs/dbraw/zinc/89/34/27/556893427.db2.gz	YJDSIUMCALVQEY-UHFFFAOYSA-N	-1	0	446.529	1.825	50	0		IDAARM
COCCNC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NC(=O)c2ccccc2)CC1	ZINC000032947022	557037027	/nfs/dbraw/zinc/03/70/27/557037027.db2.gz	HNFCXKYYXZHILQ-UHFFFAOYSA-N	-1	0	440.500	1.522	50	0		IDAARM
O=C([O-])Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)s1	ZINC000049600887	557115102	/nfs/dbraw/zinc/11/51/02/557115102.db2.gz	HOSWAAHZOIGCQK-UHFFFAOYSA-N	-1	0	438.527	1.653	50	0		IDAARM
Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)OCCO5)c(=O)c2=3)cc1	ZINC000100036670	557238325	/nfs/dbraw/zinc/23/83/25/557238325.db2.gz	QQURJDVPKTUYQZ-VQTJNVASSA-N	-1	0	435.440	1.376	50	0		IDAARM
CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1	ZINC000101174284	557260620	/nfs/dbraw/zinc/26/06/20/557260620.db2.gz	VTCXGOMCZWQORZ-ZWKOTPCHSA-N	-1	0	439.403	1.934	50	0		IDAARM
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1nc(-c2cccc(F)c2)cs1	ZINC000101186962	557263026	/nfs/dbraw/zinc/26/30/26/557263026.db2.gz	UGWUYKDCXVWABE-ZFWWWQNUSA-N	-1	0	436.490	1.909	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1cc(F)ccc1F	ZINC000101352892	557274918	/nfs/dbraw/zinc/27/49/18/557274918.db2.gz	RRFGCGIFDIMFEG-ROUUACIJSA-N	-1	0	443.366	1.668	50	0		IDAARM
CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@H]1c1ccc2c(c1)OCO2	ZINC000101455892	557286373	/nfs/dbraw/zinc/28/63/73/557286373.db2.gz	TXKDXPLZZIKYIJ-KRWDZBQOSA-N	-1	0	448.435	1.717	50	0		IDAARM
CCC(=O)Oc1cc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(=O)CC)ccc1OC	ZINC000101766218	557295349	/nfs/dbraw/zinc/29/53/49/557295349.db2.gz	RAPWPBNMJJTYLC-ZDUSSCGKSA-N	-1	0	444.444	1.191	50	0		IDAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3Br)c(=O)c1-2	ZINC000103129581	557313253	/nfs/dbraw/zinc/31/32/53/557313253.db2.gz	FPPTVAKOAVFKQV-DTWKUNHWSA-N	-1	0	431.040	1.202	50	0		IDAARM
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(=O)nc2ccc(Cl)cn2c1[O-]	ZINC000205969939	557396132	/nfs/dbraw/zinc/39/61/32/557396132.db2.gz	UWBDIGJMIUEXDE-CYBMUJFWSA-N	-1	0	442.859	1.939	50	0		IDAARM
COc1cc(OC)c(S(=O)(=O)[N-]c2c(OC)cccc2S(C)(=O)=O)c(OC)c1	ZINC000225693442	557764838	/nfs/dbraw/zinc/76/48/38/557764838.db2.gz	CIAQRMAUZIETEI-UHFFFAOYSA-N	-1	0	431.488	1.925	50	0		IDAARM
Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCC(=O)NCC(=O)[O-])c(=O)oc12)CCCC3	ZINC000002100340	562925828	/nfs/dbraw/zinc/92/58/28/562925828.db2.gz	DNLVUNXHSTZTNI-UHFFFAOYSA-N	-1	0	440.452	1.894	50	0	biogenic	IDAARM
CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)c1	ZINC000005929111	568738613	/nfs/dbraw/zinc/73/86/13/568738613.db2.gz	RXPFMNGNGWPMNI-UHFFFAOYSA-N	-1	0	447.498	1.426	50	0		IDAARM
COc1ccc([C@H](CC(=O)NCCNC(C)=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585208	568758899	/nfs/dbraw/zinc/75/88/99/568758899.db2.gz	GHVWNTJKAOBQQI-HNNXBMFYSA-N	-1	0	448.472	1.454	50	0	biogenic	IDAARM
COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(C)=O)c(OC)c1OC	ZINC000015834847	568843292	/nfs/dbraw/zinc/84/32/92/568843292.db2.gz	XEWTYYNFMYLFOD-LBPRGKRZSA-N	-1	0	434.474	1.872	50	0		IDAARM
CCCNc1ccc(S(N)(=O)=O)cc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1	ZINC000026540763	568880253	/nfs/dbraw/zinc/88/02/53/568880253.db2.gz	HOHBGYZWFLGSCH-UHFFFAOYSA-N	-1	0	427.504	1.743	50	0		IDAARM
COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c(OC)c1OC	ZINC000245295369	568914358	/nfs/dbraw/zinc/91/43/58/568914358.db2.gz	DJUHLCLAQVXCJB-YVSFHVDLSA-N	-1	0	444.415	1.755	50	0		IDAARM
COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])[C@@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@H]23)c(OC)c1	ZINC000248254708	568919152	/nfs/dbraw/zinc/91/91/52/568919152.db2.gz	RLIAYFATZPZDJF-MHORFTMASA-N	-1	0	440.408	1.305	50	0		IDAARM
COCC(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C(=O)[O-]	ZINC000064589880	568935198	/nfs/dbraw/zinc/93/51/98/568935198.db2.gz	RULNWVCLKDHHQL-UHFFFAOYSA-N	-1	0	444.463	1.870	50	0		IDAARM
COc1ccccc1C(=O)Nc1ccc(N2CCN(CC(=O)N(C)C)CC2)cc1C(=O)[O-]	ZINC000064590209	568935289	/nfs/dbraw/zinc/93/52/89/568935289.db2.gz	RSHPTUBTWITFKM-UHFFFAOYSA-N	-1	0	440.500	1.856	50	0		IDAARM
COCCNC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1	ZINC000064590085	568935296	/nfs/dbraw/zinc/93/52/96/568935296.db2.gz	QIIYYDUCDQTMIW-UHFFFAOYSA-N	-1	0	440.500	1.522	50	0		IDAARM
CCOc1cccc(-c2nc3c(c(C(N)=O)n2)n(C)c(=O)n3-c2ccc3c(c2)OCO3)c1[O-]	ZINC000064965790	569000965	/nfs/dbraw/zinc/00/09/65/569000965.db2.gz	TXOKEXIYBBFOAN-UHFFFAOYSA-N	-1	0	449.423	1.718	50	0		IDAARM
CC(=O)N1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036353308	569083959	/nfs/dbraw/zinc/08/39/59/569083959.db2.gz	OVTAJQDPZLOQGB-KRWDZBQOSA-N	-1	0	438.278	1.778	50	0		IDAARM
COc1cc([C@H](CC(=O)NCCc2nc(C)no2)c2oc(C)cc(=O)c2O)ccc1O	ZINC000524730039	569125878	/nfs/dbraw/zinc/12/58/78/569125878.db2.gz	SDISWASOPFKXRJ-AWEZNQCLSA-N	-1	0	429.429	1.940	50	0	biogenic	IDAARM
COc1ccc2c(C)c(CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc2c1C	ZINC000002097987	569179429	/nfs/dbraw/zinc/17/94/29/569179429.db2.gz	NFJJOJBDOUCKFD-HNNXBMFYSA-N	-1	0	433.461	1.369	50	0	biogenic	IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-]	ZINC000002118862	569182686	/nfs/dbraw/zinc/18/26/86/569182686.db2.gz	ADJLKUUMIVVJMV-WYRIXSBYSA-N	-1	0	432.473	1.693	50	0	biogenic	IDAARM
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000002120256	569183462	/nfs/dbraw/zinc/18/34/62/569183462.db2.gz	YXCRQEGMDQRINR-ZSEKCTLFSA-N	-1	0	444.484	1.782	50	0	biogenic	IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)[O-]	ZINC000002124930	569183887	/nfs/dbraw/zinc/18/38/87/569183887.db2.gz	PSBQJFQILJUMBU-ZMZPIMSZSA-N	-1	0	448.472	1.393	50	0	biogenic	IDAARM
COc1ccc2c(C)c(CC(=O)N[C@@H](CCCCNC(N)=O)C(=O)[O-])c(=O)oc2c1C	ZINC000002126899	569183997	/nfs/dbraw/zinc/18/39/97/569183997.db2.gz	RCUBXHXUESUAKV-HNNXBMFYSA-N	-1	0	433.461	1.369	50	0	biogenic	IDAARM
COc1ccc(-c2cc(=O)oc3cc(OCC(=O)NCC(=O)NCC(=O)[O-])ccc32)cc1	ZINC000002158774	569187747	/nfs/dbraw/zinc/18/77/47/569187747.db2.gz	CYPSYYHNXKRVHU-UHFFFAOYSA-N	-1	0	440.408	1.164	50	0	biogenic	IDAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccnc3)cc2)ncn1	ZINC000002284396	569263742	/nfs/dbraw/zinc/26/37/42/569263742.db2.gz	YPRFDEFGTPVUPP-UHFFFAOYSA-N	-1	0	444.498	1.808	50	0		IDAARM
CC(=O)N[C@@H]1[C@H](Oc2ccccc2)O[C@@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1OCC(=O)[O-]	ZINC000253498149	569283264	/nfs/dbraw/zinc/28/32/64/569283264.db2.gz	DVENRNKFWMZEEL-RDWQTBIRSA-N	-1	0	443.452	1.879	50	0		IDAARM
C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1O)C(=O)N1CCOCC1	ZINC000078720270	569318586	/nfs/dbraw/zinc/31/85/86/569318586.db2.gz	PGEYOTBLLNSEEH-LBPRGKRZSA-N	-1	0	439.515	1.232	50	0		IDAARM
Cc1cc2c(c(C)c1)NC(=O)/C2=c1\sc2n(c1=O)CN(c1ccc(C(=O)[O-])cc1)CN=2	ZINC000020070099	569333360	/nfs/dbraw/zinc/33/33/60/569333360.db2.gz	OUBYPNPNXXAANV-VLGSPTGOSA-N	-1	0	434.477	1.431	50	0		IDAARM
Cc1cc(=O)n2[n-]c(N3CCN(C(=O)/C=C/c4ccc(Br)cc4)CC3)nc2n1	ZINC000390825647	569353699	/nfs/dbraw/zinc/35/36/99/569353699.db2.gz	QHCGGNWRNGVPRQ-QPJJXVBHSA-N	-1	0	443.305	1.851	50	0		IDAARM
CCCc1nn2c([n-]1)nc(C)c(NS(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)c2=O	ZINC000020177846	569354565	/nfs/dbraw/zinc/35/45/65/569354565.db2.gz	ARERKHUVJUMLEN-UHFFFAOYSA-N	-1	0	431.478	1.082	50	0		IDAARM
COc1ccc(CC(=O)NCc2cccc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1	ZINC000095425093	569365890	/nfs/dbraw/zinc/36/58/90/569365890.db2.gz	PAQMWFYUYTWZCJ-UHFFFAOYSA-N	-1	0	448.497	1.273	50	0		IDAARM
COc1ccc(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(C(=O)[O-])c1	ZINC000095445377	569367135	/nfs/dbraw/zinc/36/71/35/569367135.db2.gz	SRDLBGJAXHYYKN-UHFFFAOYSA-N	-1	0	426.472	1.635	50	0		IDAARM
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[N-]OC[C@H](C)NC(=O)OC(C)(C)C)cc1	ZINC000095453032	569368134	/nfs/dbraw/zinc/36/81/34/569368134.db2.gz	BSDQFHNZVLVNKH-STQMWFEESA-N	-1	0	431.511	1.323	50	0		IDAARM
O=C(CCCn1c(=S)[n-]c2cc3c(cc2c1=O)OCO3)NCCCN1CCOCC1	ZINC000020644436	569374888	/nfs/dbraw/zinc/37/48/88/569374888.db2.gz	AGFAYIGYJFZFQH-UHFFFAOYSA-N	-1	0	434.518	1.406	50	0		IDAARM
CN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2S(=O)(=O)C(F)(F)F)cn1C	ZINC000095995689	569378542	/nfs/dbraw/zinc/37/85/42/569378542.db2.gz	BMFAYRXCXVGREL-UHFFFAOYSA-N	-1	0	439.437	1.821	50	0		IDAARM
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c([O-])nc2ccccn2c1=O	ZINC000096115746	569383426	/nfs/dbraw/zinc/38/34/26/569383426.db2.gz	OODYZWFYFUCWCM-GFCCVEGCSA-N	-1	0	435.392	1.665	50	0	biogenic	IDAARM
COc1ccc([C@@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)c(C(=O)[O-])c1OC	ZINC000096221569	569386862	/nfs/dbraw/zinc/38/68/62/569386862.db2.gz	INSLRYKPLZEVJT-CQSZACIVSA-N	-1	0	447.440	1.750	50	0	biogenic	IDAARM
COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CC3)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096222390	569387138	/nfs/dbraw/zinc/38/71/38/569387138.db2.gz	GTQPMSDGOVKWQT-OAHLLOKOSA-N	-1	0	438.436	1.513	50	0	biogenic	IDAARM
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)OC)c1	ZINC000058003438	569444514	/nfs/dbraw/zinc/44/45/14/569444514.db2.gz	KJGDJMZVYMWGPP-UHFFFAOYSA-N	-1	0	437.426	1.856	50	0		IDAARM
COC(=O)C[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217690119	569451717	/nfs/dbraw/zinc/45/17/17/569451717.db2.gz	JDWPGYAUJLBQRA-AWEZNQCLSA-N	-1	0	442.424	1.492	50	0	biogenic	IDAARM
CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2ccc(OC)c(OC)c2oc1=O)C(=O)NCC(=O)[O-]	ZINC000008790236	569476023	/nfs/dbraw/zinc/47/60/23/569476023.db2.gz	FLABSHONISSMLL-ZMZPIMSZSA-N	-1	0	448.472	1.393	50	0	biogenic	IDAARM
COc1ccc(N2C[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])c3ccccc3)CC2=O)cc1	ZINC000008790727	569476091	/nfs/dbraw/zinc/47/60/91/569476091.db2.gz	YOZMAMAVPGOUIC-DKICVRJWSA-N	-1	0	439.468	1.495	50	0	biogenic	IDAARM
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000008791211	569476137	/nfs/dbraw/zinc/47/61/37/569476137.db2.gz	JOFBCJSJNSSHRO-OHRYMORCSA-N	-1	0	445.516	1.655	50	0	biogenic	IDAARM
CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008876275	569481043	/nfs/dbraw/zinc/48/10/43/569481043.db2.gz	YFYYUMMMSAYHTR-ZWKOTPCHSA-N	-1	0	441.509	1.796	50	0	biogenic	IDAARM
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)cc1	ZINC000040135029	569490592	/nfs/dbraw/zinc/49/05/92/569490592.db2.gz	MEAFHORBUANOLL-MRXNPFEDSA-N	-1	0	442.563	1.893	50	0		IDAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1	ZINC000009126183	569504878	/nfs/dbraw/zinc/50/48/78/569504878.db2.gz	ATNRCEHKAMMUMZ-UHFFFAOYSA-N	-1	0	426.472	1.474	50	0		IDAARM
O=C([O-])c1ccccc1C(=O)N(CCS(=O)(=O)N1CCOCC1)Cc1ccncc1	ZINC000009344703	569524000	/nfs/dbraw/zinc/52/40/00/569524000.db2.gz	ABSVSUAMPQWNMB-UHFFFAOYSA-N	-1	0	433.486	1.084	50	0		IDAARM
Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCc1ccc(S(N)(=O)=O)cc1	ZINC000009450024	569536291	/nfs/dbraw/zinc/53/62/91/569536291.db2.gz	UKQGUJYHYUKMMS-UHFFFAOYSA-N	-1	0	436.873	1.967	50	0		IDAARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000009465492	569537965	/nfs/dbraw/zinc/53/79/65/569537965.db2.gz	YAJGNVLBZJLWPU-VXGBXAGGSA-N	-1	0	429.520	1.890	50	0		IDAARM
CCOC(=O)c1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1	ZINC000009674856	569559235	/nfs/dbraw/zinc/55/92/35/569559235.db2.gz	VTCXGOMCZWQORZ-ROUUACIJSA-N	-1	0	439.403	1.934	50	0		IDAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1OC	ZINC000009675269	569559299	/nfs/dbraw/zinc/55/92/99/569559299.db2.gz	AAKLZJASADXOQE-MSOLQXFVSA-N	-1	0	445.382	1.914	50	0		IDAARM
CCOC(=O)N1CCN(C(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)CC1	ZINC000009821346	569569449	/nfs/dbraw/zinc/56/94/49/569569449.db2.gz	ORTSNDORPZUEKP-UHFFFAOYSA-N	-1	0	438.531	1.787	50	0		IDAARM
COc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])n2)c(F)c1	ZINC000071334392	569575666	/nfs/dbraw/zinc/57/56/66/569575666.db2.gz	SERWTHKECZDULB-LJQANCHMSA-N	-1	0	425.416	1.870	50	0		IDAARM
CNC(=O)c1ccc(S(=O)(=O)Nc2cc(OCCOC)c(OC)cc2C(=O)[O-])cc1	ZINC000010512161	569582626	/nfs/dbraw/zinc/58/26/26/569582626.db2.gz	YJGDLNASLRFURZ-UHFFFAOYSA-N	-1	0	438.458	1.579	50	0		IDAARM
CCc1nc(CN2C(=O)COc3cc(S(=O)(=O)[N-]c4cccc(C)n4)c(C)cc32)no1	ZINC000065022611	569584902	/nfs/dbraw/zinc/58/49/02/569584902.db2.gz	UGWXVNFTIQHGLD-UHFFFAOYSA-N	-1	0	443.485	2.370	50	0		IDAARM
O=C([O-])Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O	ZINC000008659917	132289310	/nfs/dbraw/zinc/28/93/10/132289310.db2.gz	IEMBYTNIWAZTNU-UHFFFAOYSA-N	-1	0	445.472	1.736	50	0		IDAARM
CC(=O)N[C@@H]1[C@@H](OCC(=O)[O-])[C@@H]2O[C@@H](c3ccco3)OC[C@H]2O[C@H]1Oc1ccccc1	ZINC000012901069	519691195	/nfs/dbraw/zinc/69/11/95/519691195.db2.gz	AGSMHSDKZICECP-HNMUMZIOSA-N	-1	0	433.413	1.472	50	0	biogenic	IDAARM
CC(=O)N[C@@H]1[C@@H](OCC(=O)[O-])[C@@H]2O[C@H](c3ccco3)OC[C@H]2O[C@H]1Oc1ccccc1	ZINC000012901063	519691421	/nfs/dbraw/zinc/69/14/21/519691421.db2.gz	AGSMHSDKZICECP-LXPDTAIASA-N	-1	0	433.413	1.472	50	0	biogenic	IDAARM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)cc1	ZINC000012236014	519727104	/nfs/dbraw/zinc/72/71/04/519727104.db2.gz	IMNBZIGGQVAOEW-INIZCTEOSA-N	-1	0	426.520	1.619	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	ZINC000012865807	522378340	/nfs/dbraw/zinc/37/83/40/522378340.db2.gz	NXADUFFZUKDORH-VRKREXBASA-N	-1	0	443.541	1.115	50	0	biogenic	IDAARM
CNc1nc(C)nc(NC(=O)[N-]S(=O)(=O)c2c3ccccc3n(C)c2C(=O)OC)n1	ZINC000018194531	522678450	/nfs/dbraw/zinc/67/84/50/522678450.db2.gz	XMEQPEFEIAALQJ-UHFFFAOYSA-N	-1	0	433.450	1.010	50	0		IDAARM
COc1cc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc(OC)c1	ZINC000021154252	522754187	/nfs/dbraw/zinc/75/41/87/522754187.db2.gz	JKTKQIJZMULGCB-UHFFFAOYSA-N	-1	0	437.518	1.932	50	0		IDAARM
COC(=O)COc1c(I)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000009322148	523215093	/nfs/dbraw/zinc/21/50/93/523215093.db2.gz	JDWQNXASEXFBPU-RUDMXATFSA-N	-1	0	432.170	1.032	50	0		IDAARM
COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2O)cc1NC(C)=O	ZINC000012521408	525079293	/nfs/dbraw/zinc/07/92/93/525079293.db2.gz	AVEPCIBPXWOWGN-UHFFFAOYSA-N	-1	0	443.503	1.410	50	0		IDAARM
COc1cccc(-n2c(-c3ccccc3)cn3c2nc2c3c(=O)n(CC(=O)[O-])c(=O)n2C)c1	ZINC000012549615	525741895	/nfs/dbraw/zinc/74/18/95/525741895.db2.gz	AWRFHSZTXLMETQ-UHFFFAOYSA-N	-1	0	445.435	1.899	50	0		IDAARM
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@]1([N-]c1ncccn1)C(F)(F)F	ZINC000012360655	527087441	/nfs/dbraw/zinc/08/74/41/527087441.db2.gz	HHLQGPMSFLRAHJ-MRXNPFEDSA-N	-1	0	438.753	1.791	50	0		IDAARM
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)[O-]	ZINC000035677720	527550935	/nfs/dbraw/zinc/55/09/35/527550935.db2.gz	QWIJURZRRRIRDV-ROXVQFJHSA-N	-1	0	426.804	1.338	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccccc3)[C@@H]2C1=O	ZINC000239305854	527608312	/nfs/dbraw/zinc/60/83/12/527608312.db2.gz	GBYMFODZINXBOP-SAOCDVCDSA-N	-1	0	442.518	1.994	50	0		IDAARM
CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000012889968	535090403	/nfs/dbraw/zinc/09/04/03/535090403.db2.gz	VBFXAALSKCTOAO-XLIONFOSSA-N	-1	0	438.484	1.991	50	0	biogenic	IDAARM
CN1C(=O)[N-]C(=O)[C@@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@@H]32)C1=O	ZINC000009267078	536322860	/nfs/dbraw/zinc/32/28/60/536322860.db2.gz	VTWJVPLTMXFFRO-HXOBKFHXSA-N	-1	0	429.436	1.049	50	0		IDAARM
Cc1cc2c(nc(C)n([N-]C(=O)c3nn(C)cc3I)c2=O)s1	ZINC000000651135	555522596	/nfs/dbraw/zinc/52/25/96/555522596.db2.gz	ZNVGDAHHNZCNHA-UHFFFAOYSA-N	-1	0	429.243	1.797	50	0		IDAARM
CCOC(=O)c1sc(NC(=O)CSC2=NC(=O)C(NC(C)=O)C([O-])=N2)nc1C	ZINC000002746193	555808899	/nfs/dbraw/zinc/80/88/99/555808899.db2.gz	XOCIZNPCCZRRJM-UHFFFAOYSA-N	-1	0	427.464	1.106	50	0		IDAARM
Cn1c2nc(SCC(=O)[O-])n(Cc3cccc(Br)c3)c2c(=O)[nH]c1=O	ZINC000003876944	555950232	/nfs/dbraw/zinc/95/02/32/555950232.db2.gz	MLUFOLLCNYSKJF-UHFFFAOYSA-N	-1	0	425.264	1.411	50	0		IDAARM
Nc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)[n-]c(=O)c1NC(=O)c1ccco1	ZINC000002712526	556122415	/nfs/dbraw/zinc/12/24/15/556122415.db2.gz	HUHWRQGYTXPESF-UHFFFAOYSA-N	-1	0	443.441	1.699	50	0		IDAARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)nc(OC)n1	ZINC000008442697	556177702	/nfs/dbraw/zinc/17/77/02/556177702.db2.gz	GCPAFBHFLYKYRZ-UHFFFAOYSA-N	-1	0	439.519	1.764	50	0		IDAARM
Cc1cc(N2C(=O)[C@@H](C)CS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccccc1C(N)=O	ZINC000013692091	556281815	/nfs/dbraw/zinc/28/18/15/556281815.db2.gz	RWOUBRHQSQLALQ-LBPRGKRZSA-N	-1	0	437.499	1.207	50	0		IDAARM
COc1ccccc1-n1c(-c2ccccc2)cn2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C	ZINC000013732624	556296449	/nfs/dbraw/zinc/29/64/49/556296449.db2.gz	MTGRPBMBJSXGDU-UHFFFAOYSA-N	-1	0	445.435	1.899	50	0		IDAARM
COc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O	ZINC000011906656	556373981	/nfs/dbraw/zinc/37/39/81/556373981.db2.gz	MIKVAEILURZSAK-UHFFFAOYSA-N	-1	0	439.515	1.525	50	0		IDAARM
O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1	ZINC000013040500	556446233	/nfs/dbraw/zinc/44/62/33/556446233.db2.gz	SODBWYGHUMZNEF-UHFFFAOYSA-N	-1	0	426.472	1.207	50	0		IDAARM
COc1ccc(C[C@]2(CCC(=O)N(C)Cc3n[nH]c(=O)[n-]3)CCC(=O)N2)c2ccccc12	ZINC000014882866	556454477	/nfs/dbraw/zinc/45/44/77/556454477.db2.gz	UGJNHFXVFDORBK-HSZRJFAPSA-N	-1	0	437.500	1.890	50	0		IDAARM
COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)cc1C(=O)[O-]	ZINC000013393021	556504212	/nfs/dbraw/zinc/50/42/12/556504212.db2.gz	JYNJMPRWUUZXIH-UHFFFAOYSA-N	-1	0	448.497	1.653	50	0		IDAARM
NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000013543892	556513937	/nfs/dbraw/zinc/51/39/37/556513937.db2.gz	LIEJZONPUXNLHP-ROUUACIJSA-N	-1	0	443.456	1.065	50	0		IDAARM
C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)[O-])C(=O)N2CCc1ccc(S(N)(=O)=O)cc1	ZINC000034087042	556570820	/nfs/dbraw/zinc/57/08/20/556570820.db2.gz	RVWRTFMKECWWMR-MDKPJZGXSA-N	-1	0	430.482	1.702	50	0		IDAARM
CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C(=O)N1CCOCC1	ZINC000016624857	556618762	/nfs/dbraw/zinc/61/87/62/556618762.db2.gz	SNOXJPWXGSAOLH-UHFFFAOYSA-N	-1	0	435.527	1.781	50	0		IDAARM
Cc1c(O)ccc2c(C)c(CCC(=O)NCC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)oc12	ZINC000011865402	556664593	/nfs/dbraw/zinc/66/45/93/556664593.db2.gz	JIYZDAQMUUEUEA-MRXNPFEDSA-N	-1	0	432.473	1.780	50	0		IDAARM
COc1ccc2c(C)c(CC(=O)N[C@H](CCCCNC(N)=O)C(=O)[O-])c(=O)oc2c1C	ZINC000011865635	556665403	/nfs/dbraw/zinc/66/54/03/556665403.db2.gz	RCUBXHXUESUAKV-OAHLLOKOSA-N	-1	0	433.461	1.369	50	0		IDAARM
COc1cc2oc(=O)c(CC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c2cc1OC	ZINC000011865638	556665496	/nfs/dbraw/zinc/66/54/96/556665496.db2.gz	LAQKJWXMPWDXOJ-LJQANCHMSA-N	-1	0	434.445	1.003	50	0		IDAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccco3)[C@@H]2C1=O	ZINC000245235262	556801986	/nfs/dbraw/zinc/80/19/86/556801986.db2.gz	IOYLOAKNPVOCST-CVUGGDQUSA-N	-1	0	446.506	1.977	50	0		IDAARM
CCN1C(=O)COc2ccc(C([O-])=CS(=O)(=O)CC(=O)Nc3ccccc3OC)cc21	ZINC000019951355	556954411	/nfs/dbraw/zinc/95/44/11/556954411.db2.gz	ZKLOYGTVDHNYAA-UHFFFAOYSA-N	-1	0	446.481	1.677	50	0		IDAARM
COc1cccc(-c2nc3[nH]c(=O)[nH]c([O-])c-3c2-c2c(=O)[nH]c(=O)[nH]c2-n2cccc2)c1	ZINC000046009271	557019376	/nfs/dbraw/zinc/01/93/76/557019376.db2.gz	GQGBJRRFAWKCIR-UHFFFAOYSA-N	-1	0	432.396	1.054	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2	ZINC000101166614	557258346	/nfs/dbraw/zinc/25/83/46/557258346.db2.gz	RZZRTAUGFWTTAH-MSOLQXFVSA-N	-1	0	425.376	1.529	50	0		IDAARM
COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2	ZINC000101352882	557274935	/nfs/dbraw/zinc/27/49/35/557274935.db2.gz	RKIWEYVLCSJPEV-RBUKOAKNSA-N	-1	0	437.412	1.398	50	0		IDAARM
COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2	ZINC000101352883	557274951	/nfs/dbraw/zinc/27/49/51/557274951.db2.gz	RKIWEYVLCSJPEV-OALUTQOASA-N	-1	0	437.412	1.398	50	0		IDAARM
COc1ccccc1-n1c(=O)[nH]c([O-])c(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)c1=O	ZINC000101456587	557287277	/nfs/dbraw/zinc/28/72/77/557287277.db2.gz	VHYKSSGBXGUBDI-CQSZACIVSA-N	-1	0	426.454	1.999	50	0		IDAARM
COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])=NN1C(C)=O	ZINC000101456807	557287385	/nfs/dbraw/zinc/28/73/85/557287385.db2.gz	DFTFXMJQPCZQJP-SFHVURJKSA-N	-1	0	434.452	1.997	50	0		IDAARM
CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3Br)c(=O)c1-2	ZINC000103129577	557313143	/nfs/dbraw/zinc/31/31/43/557313143.db2.gz	WZDRINMQXQMNQM-NXEZZACHSA-N	-1	0	445.067	1.592	50	0		IDAARM
Cc1ccc([C@@H](c2c([O-])nc3n(c2=O)CCS3)c2c(O)nc3n(c2=O)CCS3)cc1	ZINC000100134016	557331762	/nfs/dbraw/zinc/33/17/62/557331762.db2.gz	TXWXJJNVOPGHLD-LBPRGKRZSA-N	-1	0	442.522	1.911	50	0		IDAARM
COCCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1Br	ZINC000014199865	557425573	/nfs/dbraw/zinc/42/55/73/557425573.db2.gz	ZLUQKAICJODGJQ-UHFFFAOYSA-N	-1	0	430.118	1.253	50	0		IDAARM
Cn1c2nc(-n3[n-]c(-c4ccco4)cc3=O)n(CCc3ccccc3)c2c(=O)n(C)c1=O	ZINC000103817817	557441779	/nfs/dbraw/zinc/44/17/79/557441779.db2.gz	KRYBCOPJTBDIKR-UHFFFAOYSA-N	-1	0	432.440	1.828	50	0		IDAARM
COc1cccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)c1	ZINC000101169811	557455743	/nfs/dbraw/zinc/45/57/43/557455743.db2.gz	IYJXILDGYGPSBC-RBUKOAKNSA-N	-1	0	439.428	1.644	50	0		IDAARM
CCOC(=O)[C@H]1CC[C@@H](C(=O)OCC)N1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O	ZINC000241316665	557846245	/nfs/dbraw/zinc/84/62/45/557846245.db2.gz	LTXLBCFETJBVEJ-GASCZTMLSA-N	-1	0	433.486	1.322	50	0		IDAARM
CC(=O)OC(OC(C)=O)[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@H]12	ZINC000245226787	557849703	/nfs/dbraw/zinc/84/97/03/557849703.db2.gz	KXOOYMPHUPMNSA-XGKMFUNXSA-N	-1	0	449.799	1.304	50	0		IDAARM
O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000000917515	568637145	/nfs/dbraw/zinc/63/71/45/568637145.db2.gz	ASNFDWGSRPPKCG-UHFFFAOYSA-N	-1	0	437.437	1.512	50	0		IDAARM
COc1ccc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(C)=O)c(OC)c1OC	ZINC000015834827	568843412	/nfs/dbraw/zinc/84/34/12/568843412.db2.gz	UJCPMMXPYDGMQV-CYBMUJFWSA-N	-1	0	448.501	1.882	50	0		IDAARM
CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c12	ZINC000015955722	568859925	/nfs/dbraw/zinc/85/99/25/568859925.db2.gz	HRNPKYUCURCTCA-OAQYLSRUSA-N	-1	0	432.473	1.774	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-]	ZINC000016032694	568867587	/nfs/dbraw/zinc/86/75/87/568867587.db2.gz	YXFYDKGOUWOCQS-JEOXALJRSA-N	-1	0	432.473	1.829	50	0		IDAARM
O=CN1CC[NH+]([C@@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036353705	569084040	/nfs/dbraw/zinc/08/40/40/569084040.db2.gz	XQAKIYUWDNYGKN-QGZVFWFLSA-N	-1	0	438.278	1.778	50	0		IDAARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)N4CCNC(=O)C4)cc3s2)cc1	ZINC000036357257	569084391	/nfs/dbraw/zinc/08/43/91/569084391.db2.gz	LSIIKCSNARTGQB-UHFFFAOYSA-N	-1	0	446.510	1.678	50	0		IDAARM
O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21	ZINC000036365682	569086931	/nfs/dbraw/zinc/08/69/31/569086931.db2.gz	KIQHVXKXTMTKIN-OAQYLSRUSA-N	-1	0	428.489	1.092	50	0		IDAARM
Cc1ccc(N2CCN(S(=O)(=O)c3nn(Cc4ccncc4)cc3C(=O)[O-])CC2)cc1	ZINC000065240449	569120848	/nfs/dbraw/zinc/12/08/48/569120848.db2.gz	IVWOJALCWXBZJS-UHFFFAOYSA-N	-1	0	441.513	1.844	50	0		IDAARM
CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c12	ZINC000002121248	569183437	/nfs/dbraw/zinc/18/34/37/569183437.db2.gz	XNCFSPASXCGLFC-ZSEKCTLFSA-N	-1	0	432.473	1.774	50	0	biogenic	IDAARM
NC(=O)NCCC[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000002140278	569186594	/nfs/dbraw/zinc/18/65/94/569186594.db2.gz	SPDVCKVVLULAFV-MRXNPFEDSA-N	-1	0	431.445	1.069	50	0	biogenic	IDAARM
Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(C)c3cc12	ZINC000002154813	569187460	/nfs/dbraw/zinc/18/74/60/569187460.db2.gz	GFAJISOGABINRS-HNNXBMFYSA-N	-1	0	429.429	1.716	50	0	biogenic	IDAARM
CS(=O)(=O)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2cc(F)c(F)c(F)c2)CC1	ZINC000252510408	569288150	/nfs/dbraw/zinc/28/81/50/569288150.db2.gz	ZJLRSRQIMYCHKI-CYBMUJFWSA-N	-1	0	447.464	1.580	50	0		IDAARM
COC(=O)c1cn(-c2cccc(S(=O)(=O)[N-]c3nccs3)c2)cc2c(=O)[nH]nc1-2	ZINC000253414439	569289126	/nfs/dbraw/zinc/28/91/26/569289126.db2.gz	XMRQBYBVLMLREW-UHFFFAOYSA-N	-1	0	431.455	1.709	50	0		IDAARM
CSCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(=O)[O-]	ZINC000013117773	569311023	/nfs/dbraw/zinc/31/10/23/569311023.db2.gz	UJYYIICGCLGEOJ-DVOMOZLQSA-N	-1	0	430.548	1.421	50	0		IDAARM
O=C([C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1	ZINC000328592080	569317203	/nfs/dbraw/zinc/31/72/03/569317203.db2.gz	WCARTRABIFRKLR-XJKSGUPXSA-N	-1	0	437.497	1.804	50	0		IDAARM
CC(=O)c1cc2c(cc1NC(=O)c1nc3n(n1)-c1ccccc1S(=O)(=O)[N-]3)OCO2	ZINC000095394489	569363528	/nfs/dbraw/zinc/36/35/28/569363528.db2.gz	MXTOQLVQBOICRE-UHFFFAOYSA-N	-1	0	427.398	1.565	50	0		IDAARM
CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-]	ZINC000095451537	569367895	/nfs/dbraw/zinc/36/78/95/569367895.db2.gz	ITVWJGGLNUDEFC-AWEZNQCLSA-N	-1	0	440.543	1.424	50	0		IDAARM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cnn2c1nccc2-c1cccs1	ZINC000095464484	569370538	/nfs/dbraw/zinc/37/05/38/569370538.db2.gz	OIVCRTBKTJXMQC-CYBMUJFWSA-N	-1	0	427.486	1.853	50	0		IDAARM
CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)cc1	ZINC000095989636	569378214	/nfs/dbraw/zinc/37/82/14/569378214.db2.gz	CMPQPXWNSIIETJ-MRXNPFEDSA-N	-1	0	441.517	1.790	50	0		IDAARM
Cc1cc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)ccc1[N-]S(=O)(=O)C(F)(F)F	ZINC000095992249	569378349	/nfs/dbraw/zinc/37/83/49/569378349.db2.gz	FNXVTQYZKHXJCD-CYBMUJFWSA-N	-1	0	438.424	1.908	50	0		IDAARM
NS(=O)(=O)c1ccc(CCNC(=O)CCn2c(=O)c3sccc3[n-]c2=S)cc1	ZINC000002932454	569426099	/nfs/dbraw/zinc/42/60/99/569426099.db2.gz	YYBZMEHYOSPRKU-UHFFFAOYSA-N	-1	0	438.556	1.517	50	0		IDAARM
COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000217690029	569451743	/nfs/dbraw/zinc/45/17/43/569451743.db2.gz	JDWPGYAUJLBQRA-CQSZACIVSA-N	-1	0	442.424	1.492	50	0	biogenic	IDAARM
CS(=O)(=O)N1CCN([C@H](c2sc3ncnn3c2[O-])c2ccccc2Cl)CC1	ZINC000218609981	569458805	/nfs/dbraw/zinc/45/88/05/569458805.db2.gz	LUMKPMPFAOBUNI-ZDUSSCGKSA-N	-1	0	427.939	1.816	50	0		IDAARM
COC(CNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O)OC	ZINC000008662207	569469940	/nfs/dbraw/zinc/46/99/40/569469940.db2.gz	KKDQUYMHPSAPDQ-UHFFFAOYSA-N	-1	0	434.518	1.420	50	0		IDAARM
CC(C)[C@@H](C(=O)N[C@@H](C)C(=O)[O-])N1C(=O)N2CCc3c4ccccc4[nH]c3[C@@]2(C)C1=O	ZINC000008789660	569475956	/nfs/dbraw/zinc/47/59/56/569475956.db2.gz	GXNGULFTZNPMGV-IEBOFQNGSA-N	-1	0	426.473	1.817	50	0	biogenic	IDAARM
C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(CC(=O)[O-])cs3)cc2)C[C@H](C)O1	ZINC000008849462	569479227	/nfs/dbraw/zinc/47/92/27/569479227.db2.gz	FLJSZZVMVHHJJZ-TXEJJXNPSA-N	-1	0	439.515	1.820	50	0		IDAARM
CC(C)(C)OC(=O)NCC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000008918470	569486304	/nfs/dbraw/zinc/48/63/04/569486304.db2.gz	PCWDGKGMAKWHNZ-KRWDZBQOSA-N	-1	0	433.505	1.562	50	0	biogenic	IDAARM
Cc1cc(C)n2nc(C(=O)[N-]N3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)nc2n1	ZINC000008924248	569487197	/nfs/dbraw/zinc/48/71/97/569487197.db2.gz	XPNQDSCLLNAREA-UHFFFAOYSA-N	-1	0	441.451	1.882	50	0		IDAARM
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cnn(C[C@@H]3CCCO3)c2)cc1	ZINC000040135028	569490627	/nfs/dbraw/zinc/49/06/27/569490627.db2.gz	MEAFHORBUANOLL-INIZCTEOSA-N	-1	0	442.563	1.893	50	0		IDAARM
CSCC[C@H](NC(=O)[C@@H](NC(=O)N1CCn2c3ccccc3nc21)C(C)C)C(=O)[O-]	ZINC000008971775	569492711	/nfs/dbraw/zinc/49/27/11/569492711.db2.gz	AHZPEZSCSMRGDA-HOCLYGCPSA-N	-1	0	433.534	1.913	50	0		IDAARM
CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-]	ZINC000009059017	569499260	/nfs/dbraw/zinc/49/92/60/569499260.db2.gz	HRWGUCQKYFQTLQ-NGRNXEGESA-N	-1	0	433.530	1.765	50	0	biogenic	IDAARM
Cn1ccnc1[C@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1ccccc1	ZINC000069598833	569508868	/nfs/dbraw/zinc/50/88/68/569508868.db2.gz	DOURNRBTQIZZQW-MRXNPFEDSA-N	-1	0	435.469	1.634	50	0		IDAARM
CC(C)[C@H](NC(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1)C(=O)[O-]	ZINC000009166810	569508958	/nfs/dbraw/zinc/50/89/58/569508958.db2.gz	OQTNDPAZRDATFF-QRTARXTBSA-N	-1	0	427.954	1.818	50	0	biogenic	IDAARM
Cc1ccc(S(=O)(=O)c2c([O-])c3ccc(C(=O)N4CCOCC4)cc3[nH]c2=O)cc1	ZINC000009429696	569533743	/nfs/dbraw/zinc/53/37/43/569533743.db2.gz	CXQYECPOWDMXGS-UHFFFAOYSA-N	-1	0	428.466	1.847	50	0		IDAARM
C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1	ZINC000009451387	569536417	/nfs/dbraw/zinc/53/64/17/569536417.db2.gz	KVVNTIJSPOKMGZ-ZBQZNYHESA-N	-1	0	427.432	1.625	50	0		IDAARM
COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1	ZINC000009466364	569538157	/nfs/dbraw/zinc/53/81/57/569538157.db2.gz	QRBIGPYGHQWTHE-UHFFFAOYSA-N	-1	0	426.834	1.109	50	0		IDAARM
CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N1CCC(C(=O)[O-])CC1	ZINC000009487951	569539835	/nfs/dbraw/zinc/53/98/35/569539835.db2.gz	WLOYPVYDCOGEME-KXBFYZLASA-N	-1	0	433.480	1.643	50	0		IDAARM
C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000009487886	569539858	/nfs/dbraw/zinc/53/98/58/569539858.db2.gz	NNSUSKCZRXNSJQ-QOKNQOGYSA-N	-1	0	441.459	1.495	50	0		IDAARM
C[C@H](Oc1ccccc1C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000009544825	569546051	/nfs/dbraw/zinc/54/60/51/569546051.db2.gz	XQLAZPCHWFDADG-AWEZNQCLSA-N	-1	0	434.470	1.812	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc2c(c1)OCO2	ZINC000009675202	569559274	/nfs/dbraw/zinc/55/92/74/569559274.db2.gz	GOEJWZSECZPHNV-IAGOWNOFSA-N	-1	0	429.339	1.625	50	0		IDAARM
O=C1CN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)CCN1	ZINC000008862044	132296611	/nfs/dbraw/zinc/29/66/11/132296611.db2.gz	KVPYAIZHPDEGHI-UHFFFAOYSA-N	-1	0	441.469	1.138	50	0		IDAARM
CC(C)[C@@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)N[C@H](C)C(=O)[O-]	ZINC000016042058	519797175	/nfs/dbraw/zinc/79/71/75/519797175.db2.gz	OIQGFFMZWQWBET-ZUOKHONESA-N	-1	0	444.484	1.781	50	0		IDAARM
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2)cc1	ZINC000012557041	520808338	/nfs/dbraw/zinc/80/83/38/520808338.db2.gz	RQNVPQNJHVFRHM-UHFFFAOYSA-N	-1	0	447.560	1.165	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)CC1	ZINC000012865795	522376877	/nfs/dbraw/zinc/37/68/77/522376877.db2.gz	NXADUFFZUKDORH-VDERGJSUSA-N	-1	0	443.541	1.115	50	0	biogenic	IDAARM
CN1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(Cc2ccc4c(c2)OCO4)c3=O)CC1	ZINC000020645433	523883331	/nfs/dbraw/zinc/88/33/31/523883331.db2.gz	FFHDOJBTOPEDTM-UHFFFAOYSA-N	-1	0	438.509	1.850	50	0		IDAARM
COc1ccc(OC)c([C@@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)c1	ZINC000022626942	524888615	/nfs/dbraw/zinc/88/86/15/524888615.db2.gz	KKYYIUUEVPERIS-KRWDZBQOSA-N	-1	0	433.534	1.521	50	0		IDAARM
CSC[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-]	ZINC000012660219	525701631	/nfs/dbraw/zinc/70/16/31/525701631.db2.gz	NPQAQXMWDAMBJC-KBMXLJTQSA-N	-1	0	437.518	1.225	50	0	biogenic	IDAARM
O=C([O-])[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1	ZINC000012794445	526273538	/nfs/dbraw/zinc/27/35/38/526273538.db2.gz	YLYSNJGCUVZDRF-INIZCTEOSA-N	-1	0	438.502	1.324	50	0		IDAARM
O=C([O-])c1cnc2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)cc2c1O	ZINC000015827467	526340749	/nfs/dbraw/zinc/34/07/49/526340749.db2.gz	UHIOZRYYBPEJKJ-UHFFFAOYSA-N	-1	0	431.445	1.876	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1cc(F)ccc1F	ZINC000022766152	526824338	/nfs/dbraw/zinc/82/43/38/526824338.db2.gz	RRFGCGIFDIMFEG-ZWKOTPCHSA-N	-1	0	443.366	1.668	50	0		IDAARM
NC(=O)NCCC[C@H](NC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000011866827	526936374	/nfs/dbraw/zinc/93/63/74/526936374.db2.gz	SPDVCKVVLULAFV-INIZCTEOSA-N	-1	0	431.445	1.069	50	0		IDAARM
O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccc(Cl)cc2)[C@@]1([N-]c1ncccn1)C(F)(F)F	ZINC000012360656	527087596	/nfs/dbraw/zinc/08/75/96/527087596.db2.gz	HHLQGPMSFLRAHJ-INIZCTEOSA-N	-1	0	438.753	1.791	50	0		IDAARM
O=S(=O)([N-]c1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1ccc2c(c1)CCC2	ZINC000012557117	527247214	/nfs/dbraw/zinc/24/72/14/527247214.db2.gz	XZXCDHFNJUMFCV-UHFFFAOYSA-N	-1	0	438.527	1.703	50	0		IDAARM
O=S(=O)([N-]c1cccc(-c2nn[nH]n2)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000012561200	527251831	/nfs/dbraw/zinc/25/18/31/527251831.db2.gz	BMGIJVGZIGEAMB-UHFFFAOYSA-N	-1	0	434.503	1.452	50	0		IDAARM
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)C(F)F)cc2)c1	ZINC000012507981	527322731	/nfs/dbraw/zinc/32/27/31/527322731.db2.gz	GKFZJGUUDJJGOK-UHFFFAOYSA-N	-1	0	426.444	1.131	50	0		IDAARM
COC(=O)CCC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1	ZINC000002135587	555747286	/nfs/dbraw/zinc/74/72/86/555747286.db2.gz	AHRYXPGDYBPRAK-UHFFFAOYSA-N	-1	0	426.476	1.550	50	0		IDAARM
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000002563086	555787685	/nfs/dbraw/zinc/78/76/85/555787685.db2.gz	MTKNDAQYHASLID-ZJGKOCQPSA-N	-1	0	448.512	1.526	50	0		IDAARM
CCOC(=O)N1CCN(C(=O)CCc2nnc(-c3cccc(OCC)c3)[n-]c2=O)CC1	ZINC000034764782	555906021	/nfs/dbraw/zinc/90/60/21/555906021.db2.gz	UOMKKQMJPWYPCV-UHFFFAOYSA-N	-1	0	429.477	1.876	50	0		IDAARM
CCOC(=O)N1CCN(C(=O)CCc2nnc(-c3ccc4c(c3)OCO4)[n-]c2=O)CC1	ZINC000034768033	555907577	/nfs/dbraw/zinc/90/75/77/555907577.db2.gz	BXDRFXKWPWWIET-UHFFFAOYSA-N	-1	0	429.433	1.206	50	0		IDAARM
COC(CNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1)OC	ZINC000002975398	556153580	/nfs/dbraw/zinc/15/35/80/556153580.db2.gz	ZSZMKSRXWIBNMG-UHFFFAOYSA-N	-1	0	443.481	1.811	50	0		IDAARM
COc1ccc(Cl)cc1-n1c(C)c(C)n2c1nc1c2c(=O)n(CC(=O)[O-])c(=O)n1C	ZINC000013727409	556293863	/nfs/dbraw/zinc/29/38/63/556293863.db2.gz	MQMKVKQQEPBMBL-UHFFFAOYSA-N	-1	0	431.836	1.502	50	0		IDAARM
COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-]c2ccccc2NS(C)(=O)=O)c1	ZINC000032833515	556417599	/nfs/dbraw/zinc/41/75/99/556417599.db2.gz	MENWCTPFTHUYGR-UHFFFAOYSA-N	-1	0	442.471	1.432	50	0		IDAARM
Cn1nnnc1-c1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	ZINC000014728518	556436057	/nfs/dbraw/zinc/43/60/57/556436057.db2.gz	NTCWGPVGZHRBIV-UHFFFAOYSA-N	-1	0	448.530	1.462	50	0		IDAARM
O=C([O-])C1CCN(C(=O)C[C@@H](CNC(=O)[C@@H]2CSCN2)c2ccc(Cl)cc2)CC1	ZINC000013548277	556514703	/nfs/dbraw/zinc/51/47/03/556514703.db2.gz	PMUXJHUDFWPUDB-RDJZCZTQSA-N	-1	0	439.965	1.916	50	0		IDAARM
CC[C@H](C)[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)C(=O)[O-]	ZINC000013630014	556539209	/nfs/dbraw/zinc/53/92/09/556539209.db2.gz	NVUYWGPFDXYIHC-HUBLWGQQSA-N	-1	0	440.547	1.708	50	0		IDAARM
CSc1nc([O-])c(C(c2ccc(N(C)C)cc2)C2C(=O)N=C(SC)NC2=O)c(=O)[nH]1	ZINC000016213467	556591106	/nfs/dbraw/zinc/59/11/06/556591106.db2.gz	LGCXLRMTGYJFLO-UHFFFAOYSA-N	-1	0	447.542	1.954	50	0		IDAARM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)ccc1OC	ZINC000016649563	556620313	/nfs/dbraw/zinc/62/03/13/556620313.db2.gz	ZEIZZJHUQICMRF-UHFFFAOYSA-N	-1	0	447.513	1.718	50	0		IDAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(=O)CN1CCCS1(=O)=O	ZINC000579271390	556657222	/nfs/dbraw/zinc/65/72/22/556657222.db2.gz	TXMTXVBGRSMRBV-CQSZACIVSA-N	-1	0	444.307	1.078	50	0		IDAARM
Cc1cc(N2C(=O)CCS2(=O)=O)cc(C)c1S(=O)(=O)[N-]c1ccccc1C(N)=O	ZINC000011858153	556663265	/nfs/dbraw/zinc/66/32/65/556663265.db2.gz	ANXCSBXTIJBKSP-UHFFFAOYSA-N	-1	0	437.499	1.270	50	0		IDAARM
CCOc1ccccc1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC	ZINC000011858342	556663942	/nfs/dbraw/zinc/66/39/42/556663942.db2.gz	KVPUSYQPUGIINU-UHFFFAOYSA-N	-1	0	440.499	1.961	50	0		IDAARM
COc1cc(OC)c2c(C)c(CC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc2c1	ZINC000011865445	556664559	/nfs/dbraw/zinc/66/45/59/556664559.db2.gz	CSWVPVSTVNJBQA-LJQANCHMSA-N	-1	0	434.445	1.003	50	0		IDAARM
O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c[nH]1)N1CCCC1	ZINC000058244454	556774738	/nfs/dbraw/zinc/77/47/38/556774738.db2.gz	DFYZYJDDOBMVDQ-QGZVFWFLSA-N	-1	0	446.529	1.648	50	0		IDAARM
C[C@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C[C@H](C)O1	ZINC000058341899	556781901	/nfs/dbraw/zinc/78/19/01/556781901.db2.gz	KTHANRVNQAROTC-RYUDHWBXSA-N	-1	0	425.467	1.003	50	0		IDAARM
COc1c2c(cc3c1[C@H](c1c([O-])[nH]c(=O)n(-c4ccc(F)cc4)c1=O)N(C)CC3)OCO2	ZINC000019706879	556865741	/nfs/dbraw/zinc/86/57/41/556865741.db2.gz	XCONBRNXFAOYCN-QGZVFWFLSA-N	-1	0	441.415	1.685	50	0	biogenic	IDAARM
Cn1ncc2c1ncn(CC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccs1)c2=O	ZINC000023194848	557047029	/nfs/dbraw/zinc/04/70/29/557047029.db2.gz	WLGHHZHHDFAICC-UHFFFAOYSA-N	-1	0	444.498	1.631	50	0		IDAARM
O=S(=O)([N-]CCN1c2ccccc2N(C2CC2)S1(=O)=O)c1c(F)cccc1F	ZINC000585147749	557106614	/nfs/dbraw/zinc/10/66/14/557106614.db2.gz	XJLMYODSACTHBZ-UHFFFAOYSA-N	-1	0	429.470	1.977	50	0		IDAARM
COc1ccc(-c2ccc(=O)n(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])n2)cc1OC	ZINC000049544474	557110877	/nfs/dbraw/zinc/11/08/77/557110877.db2.gz	VYTVVDSDIJEJEF-SFHVURJKSA-N	-1	0	437.452	1.740	50	0		IDAARM
COc1ccc(-c2ccc(=O)n(CC(=O)NCC3CCC(C(=O)[O-])CC3)n2)cc1OC	ZINC000049546536	557111653	/nfs/dbraw/zinc/11/16/53/557111653.db2.gz	HZICPWWKCSMTCD-UHFFFAOYSA-N	-1	0	429.473	1.935	50	0		IDAARM
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])n1	ZINC000049549550	557112877	/nfs/dbraw/zinc/11/28/77/557112877.db2.gz	ZFWKZAAOAVFHPD-SFHVURJKSA-N	-1	0	425.416	1.870	50	0		IDAARM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000017953505	557130457	/nfs/dbraw/zinc/13/04/57/557130457.db2.gz	YAJGNVLBZJLWPU-TXEJJXNPSA-N	-1	0	429.520	1.890	50	0		IDAARM
O=C([O-])COc1c(I)cc(CO)cc1I	ZINC000008430109	557169911	/nfs/dbraw/zinc/16/99/11/557169911.db2.gz	SMNYVZYQYPWYJA-UHFFFAOYSA-N	-1	0	433.967	1.852	50	0		IDAARM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)N3CCOCC3)ccc21	ZINC000025526149	557212988	/nfs/dbraw/zinc/21/29/88/557212988.db2.gz	LNCFAUNTLMUYEV-UHFFFAOYSA-N	-1	0	429.498	1.869	50	0		IDAARM
CC(C)n1c([O-])c([C@H]2c3ccccc3Oc3[nH]c(=O)n(C(C)C)c(=O)c32)c(=O)[nH]c1=O	ZINC000018039720	557232793	/nfs/dbraw/zinc/23/27/93/557232793.db2.gz	GMKGOVGULOZXML-CYBMUJFWSA-N	-1	0	426.429	1.952	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2	ZINC000101166613	557258356	/nfs/dbraw/zinc/25/83/56/557258356.db2.gz	RZZRTAUGFWTTAH-ROUUACIJSA-N	-1	0	425.376	1.529	50	0		IDAARM
COc1ccccc1NC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2	ZINC000101352885	557274928	/nfs/dbraw/zinc/27/49/28/557274928.db2.gz	RKIWEYVLCSJPEV-MOPGFXCFSA-N	-1	0	437.412	1.398	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1cc(F)ccc1F	ZINC000101352894	557274934	/nfs/dbraw/zinc/27/49/34/557274934.db2.gz	RRFGCGIFDIMFEG-QZTJIDSGSA-N	-1	0	443.366	1.668	50	0		IDAARM
NC1=C2C(=O)Oc3cc(O)ccc3[C@@H]2[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2S1	ZINC000101411431	557284481	/nfs/dbraw/zinc/28/44/81/557284481.db2.gz	LBTMGQXXYSQZIH-YCPHGPKFSA-N	-1	0	438.417	1.568	50	0		IDAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@@H](c3cc(OC)ccc3OC)C2)c1[O-]	ZINC000101455858	557286203	/nfs/dbraw/zinc/28/62/03/557286203.db2.gz	YXUWKVJCENQCBE-MRXNPFEDSA-N	-1	0	430.461	1.757	50	0		IDAARM
CC(=O)N1N=C(c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2[O-])C[C@@H]1c1ccc2c(c1)OCO2	ZINC000101455894	557286333	/nfs/dbraw/zinc/28/63/33/557286333.db2.gz	TXKDXPLZZIKYIJ-QGZVFWFLSA-N	-1	0	448.435	1.717	50	0		IDAARM
COc1ccc(OC)c([C@@H]2CC(c3c([O-])[nH]c(=O)n(CCc4ccccc4)c3=O)=NN2)c1	ZINC000101762545	557297109	/nfs/dbraw/zinc/29/71/09/557297109.db2.gz	KMMRIYODPHXFAK-KRWDZBQOSA-N	-1	0	436.468	1.941	50	0		IDAARM
COC(=O)C[C@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(=O)nc2ccccn2c1[O-]	ZINC000205949245	557368249	/nfs/dbraw/zinc/36/82/49/557368249.db2.gz	CRUDPIDSIFDGSW-OAHLLOKOSA-N	-1	0	435.436	1.956	50	0		IDAARM
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@H]3CCCO3)[n-]c2=O)cc1	ZINC000012033244	557524490	/nfs/dbraw/zinc/52/44/90/557524490.db2.gz	BOFOKBSBSFVNJH-CYBMUJFWSA-N	-1	0	433.490	1.000	50	0		IDAARM
CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](NC(N)=O)[C@@H](C)CC)cc1	ZINC000009612566	562974190	/nfs/dbraw/zinc/97/41/90/562974190.db2.gz	ICRMLBYCFDHVIN-SWLSCSKDSA-N	-1	0	427.527	1.496	50	0		IDAARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(CC(=O)N2CCC(O)CC2)cc1	ZINC000044038696	568746249	/nfs/dbraw/zinc/74/62/49/568746249.db2.gz	YXBGFKITEIMPDR-UHFFFAOYSA-N	-1	0	438.527	1.861	50	0		IDAARM
COc1ccc(C2=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3S(=O)(=O)[N-]2)cc1	ZINC000015682406	568807312	/nfs/dbraw/zinc/80/73/12/568807312.db2.gz	NLIRRYKZYPTLDN-UHFFFAOYSA-N	-1	0	437.499	1.086	50	0		IDAARM
COc1ccc(N2CCCS2(=O)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000015780564	568825356	/nfs/dbraw/zinc/82/53/56/568825356.db2.gz	BDABPQFJZRWPEA-UHFFFAOYSA-N	-1	0	440.499	1.807	50	0		IDAARM
COc1ccc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(C)=O)c(OC)c1OC	ZINC000015834850	568843280	/nfs/dbraw/zinc/84/32/80/568843280.db2.gz	XEWTYYNFMYLFOD-GFCCVEGCSA-N	-1	0	434.474	1.872	50	0		IDAARM
CC[C@@H](C)[C@@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)[O-]	ZINC000015956508	568859896	/nfs/dbraw/zinc/85/98/96/568859896.db2.gz	CIKMDCQKPKFRRX-MPBGBICISA-N	-1	0	432.473	1.829	50	0		IDAARM
O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1	ZINC000026231086	568875989	/nfs/dbraw/zinc/87/59/89/568875989.db2.gz	KYFOBCAKEOVYOC-UHFFFAOYSA-N	-1	0	435.527	1.820	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccccc3)[C@@H]2C1=O	ZINC000239305852	568911130	/nfs/dbraw/zinc/91/11/30/568911130.db2.gz	GBYMFODZINXBOP-FRFIBFDMSA-N	-1	0	442.518	1.994	50	0		IDAARM
Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)ccc12	ZINC000238901769	569137838	/nfs/dbraw/zinc/13/78/38/569137838.db2.gz	MOMBTNLTSZMDFH-SHTZXODSSA-N	-1	0	430.457	1.604	50	0	biogenic	IDAARM
NC(=O)c1nnn(-c2ccc([N-]S(=O)(=O)c3ccc(Br)s3)cc2)n1	ZINC000070999811	569149244	/nfs/dbraw/zinc/14/92/44/569149244.db2.gz	JTWBLSVYSRCZPR-UHFFFAOYSA-N	-1	0	429.281	1.386	50	0		IDAARM
CC(C)COc1cccc(OCC(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)c1	ZINC000089856407	569166232	/nfs/dbraw/zinc/16/62/32/569166232.db2.gz	MUDLIYDRIGCSER-UHFFFAOYSA-N	-1	0	431.474	1.581	50	0		IDAARM
CN1CCc2c3ccccc3[nH]c2[C@H]1c1c([O-])[nH]c(=O)n(I)c1=O	ZINC000016956711	569167464	/nfs/dbraw/zinc/16/74/64/569167464.db2.gz	YWQHYPHUSFBFLL-CYBMUJFWSA-N	-1	0	438.225	1.499	50	0	biogenic	IDAARM
Cc1c(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c3c(c(=O)oc12)CCCC3	ZINC000002120684	569183450	/nfs/dbraw/zinc/18/34/50/569183450.db2.gz	RXLNFPDLAMNJEM-FQEVSTJZSA-N	-1	0	444.484	1.701	50	0	biogenic	IDAARM
CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12	ZINC000002124842	569183927	/nfs/dbraw/zinc/18/39/27/569183927.db2.gz	CPNFUBQRBUHUJD-FQEVSTJZSA-N	-1	0	432.473	1.774	50	0	biogenic	IDAARM
COc1cc(C)cc2oc(=O)c(CC(=O)N[C@@H](CCCCNC(N)=O)C(=O)[O-])c(C)c12	ZINC000002128876	569184182	/nfs/dbraw/zinc/18/41/82/569184182.db2.gz	JUWDLUWPZOGUNB-AWEZNQCLSA-N	-1	0	433.461	1.369	50	0	biogenic	IDAARM
CCCC[C@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000002140345	569186601	/nfs/dbraw/zinc/18/66/01/569186601.db2.gz	SQXKNHOEEMBZKG-SFHVURJKSA-N	-1	0	444.484	1.926	50	0	biogenic	IDAARM
O=c1c2cccc3cccc(c23)c1=N[N-]c1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000015011527	569188459	/nfs/dbraw/zinc/18/84/59/569188459.db2.gz	ZUKWMJMTPAUMIY-DIBXZPPDSA-N	-1	0	445.483	1.015	50	0		IDAARM
CS(=O)(=O)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccc(F)c(Cl)c2)CC1	ZINC000253414026	569289108	/nfs/dbraw/zinc/28/91/08/569289108.db2.gz	WGPKVYQRBRIVEP-CYBMUJFWSA-N	-1	0	445.929	1.956	50	0		IDAARM
NC1=C2C(=O)Oc3cc(O)ccc3[C@@H]2[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2S1	ZINC000079476757	569330781	/nfs/dbraw/zinc/33/07/81/569330781.db2.gz	LBTMGQXXYSQZIH-FMKPAKJESA-N	-1	0	438.417	1.568	50	0		IDAARM
COc1cccc(-n2nnc(C(=O)Nc3cc(C(=O)[O-])cc(S(C)(=O)=O)c3)c2C)c1	ZINC000095425591	569366032	/nfs/dbraw/zinc/36/60/32/569366032.db2.gz	BBGGACCQKNJCEI-UHFFFAOYSA-N	-1	0	430.442	1.938	50	0		IDAARM
CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1[O-]	ZINC000095451536	569367885	/nfs/dbraw/zinc/36/78/85/569367885.db2.gz	ITVWJGGLNUDEFC-CQSZACIVSA-N	-1	0	440.543	1.424	50	0		IDAARM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccnnc2C)ccc1I	ZINC000095944078	569375708	/nfs/dbraw/zinc/37/57/08/569375708.db2.gz	PBQJDRDBLVCRDQ-UHFFFAOYSA-N	-1	0	433.227	1.977	50	0		IDAARM
Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000095955695	569376833	/nfs/dbraw/zinc/37/68/33/569376833.db2.gz	QEXUNEOREUWCRL-GOSISDBHSA-N	-1	0	432.498	1.442	50	0		IDAARM
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c([O-])nc2ccccn2c1=O	ZINC000096115745	569383463	/nfs/dbraw/zinc/38/34/63/569383463.db2.gz	OODYZWFYFUCWCM-LBPRGKRZSA-N	-1	0	435.392	1.665	50	0	biogenic	IDAARM
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c(Br)c1	ZINC000096316466	569392705	/nfs/dbraw/zinc/39/27/05/569392705.db2.gz	DQCHWISLWHSXHP-UHFFFAOYSA-N	-1	0	435.277	1.596	50	0		IDAARM
O=C(c1snc2c1nc([O-])n(Cc1ccc(F)cc1)c2=O)N1CCC2(CC1)OCCO2	ZINC000096396753	569399202	/nfs/dbraw/zinc/39/92/02/569399202.db2.gz	FNKJILQGZIIBRN-UHFFFAOYSA-N	-1	0	446.460	1.725	50	0	biogenic	IDAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1	ZINC000002469224	569403927	/nfs/dbraw/zinc/40/39/27/569403927.db2.gz	CZESLENUPQZSKM-OAHLLOKOSA-N	-1	0	434.518	1.534	50	0		IDAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1	ZINC000217873805	569454380	/nfs/dbraw/zinc/45/43/80/569454380.db2.gz	ZETPMYBEMRJTHC-HNNXBMFYSA-N	-1	0	428.397	1.759	50	0	biogenic	IDAARM
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])CC1	ZINC000004073531	569458639	/nfs/dbraw/zinc/45/86/39/569458639.db2.gz	MJHRPAQWCSJRNN-HOTGVXAUSA-N	-1	0	425.526	1.850	50	0	biogenic	IDAARM
O=C([O-])[C@@H]1CCCN1C(=O)C[C@@H](CNC(=O)[C@@H]1CSCN1)c1ccc(Cl)cc1	ZINC000008764491	569474602	/nfs/dbraw/zinc/47/46/02/569474602.db2.gz	UASVFDLXUWCCMQ-BPUTZDHNSA-N	-1	0	425.938	1.668	50	0	biogenic	IDAARM
C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000008790079	569475998	/nfs/dbraw/zinc/47/59/98/569475998.db2.gz	NNNPVAYTYDQJFO-NGRNXEGESA-N	-1	0	431.514	1.615	50	0	biogenic	IDAARM
COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)[O-])C(C)C)CC2=O)cc1	ZINC000008790219	569476075	/nfs/dbraw/zinc/47/60/75/569476075.db2.gz	IHWJGQUDIGPWGB-FNHZYXHNSA-N	-1	0	431.489	1.265	50	0	biogenic	IDAARM
CC(C)[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000008790979	569476133	/nfs/dbraw/zinc/47/61/33/569476133.db2.gz	HQMVLGSYKQQKMW-YBJLUAFYSA-N	-1	0	433.530	1.765	50	0	biogenic	IDAARM
CN1CCN(c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000039939586	569482070	/nfs/dbraw/zinc/48/20/70/569482070.db2.gz	WFKXZFBMRIULNW-UHFFFAOYSA-N	-1	0	441.513	1.954	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000008995269	569495603	/nfs/dbraw/zinc/49/56/03/569495603.db2.gz	NKLARHDZJWJDSF-SKDZVZGDSA-N	-1	0	446.504	1.249	50	0	biogenic	IDAARM
Cn1c2nc3n(c2c(=O)n(CC(=O)[O-])c1=O)CCN3c1ccc(Oc2ccccc2)cc1	ZINC000009002106	569496043	/nfs/dbraw/zinc/49/60/43/569496043.db2.gz	POKGWWNMLNMIAR-UHFFFAOYSA-N	-1	0	433.424	1.925	50	0		IDAARM
O=C([O-])[C@@H](CCCCN1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O	ZINC000009065038	569499597	/nfs/dbraw/zinc/49/95/97/569499597.db2.gz	QVQQYVHBVKGSMN-QEJQJRPWSA-N	-1	0	438.480	1.224	50	0		IDAARM
C[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1ccc2c(c1)NC(=O)CO2	ZINC000069459621	569506644	/nfs/dbraw/zinc/50/66/44/569506644.db2.gz	UHPITGYTORXRME-SNVBAGLBSA-N	-1	0	440.441	1.203	50	0		IDAARM
Cn1ccnc1[C@@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1ccccc1	ZINC000069598836	569508864	/nfs/dbraw/zinc/50/88/64/569508864.db2.gz	DOURNRBTQIZZQW-INIZCTEOSA-N	-1	0	435.469	1.634	50	0		IDAARM
COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])CC2)cc1	ZINC000009184022	569509916	/nfs/dbraw/zinc/50/99/16/569509916.db2.gz	VOOKKFZSMGFWEJ-FQEVSTJZSA-N	-1	0	446.525	1.908	50	0		IDAARM
COc1cc([C@H]2C/C(=C3\C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)NN2)cc(OC)c1OC	ZINC000009419676	569532532	/nfs/dbraw/zinc/53/25/32/569532532.db2.gz	JFMRFWFLINGZLJ-QFVIEVDGSA-N	-1	0	444.488	1.917	50	0		IDAARM
COc1ccc(N2C[C@@H](C(=O)N[C@H](C(=O)N3CCC(C(=O)[O-])CC3)C(C)C)CC2=O)cc1	ZINC000009488254	569539932	/nfs/dbraw/zinc/53/99/32/569539932.db2.gz	FQTXAHMWVLFMEE-JXFKEZNVSA-N	-1	0	445.516	1.512	50	0		IDAARM
COc1cc(OC)c2c(C)c(CC(=O)N3CCC[C@@H](C(=O)NCC(=O)[O-])C3)c(=O)oc2c1	ZINC000009575234	569547930	/nfs/dbraw/zinc/54/79/30/569547930.db2.gz	NTNWKYMHULZCRK-CYBMUJFWSA-N	-1	0	446.456	1.101	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1Cl	ZINC000009675052	569559219	/nfs/dbraw/zinc/55/92/19/569559219.db2.gz	QRQFQYWDQAJKGY-MSOLQXFVSA-N	-1	0	427.848	1.958	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccccc4)c=3c2=O)cc1Cl	ZINC000009675053	569559239	/nfs/dbraw/zinc/55/92/39/569559239.db2.gz	QRQFQYWDQAJKGY-QZTJIDSGSA-N	-1	0	427.848	1.958	50	0		IDAARM
COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c1	ZINC000009708638	569561952	/nfs/dbraw/zinc/56/19/52/569561952.db2.gz	VNCPOHNBTAIZKD-UHFFFAOYSA-N	-1	0	444.465	1.896	50	0		IDAARM
CCOc1cccc(-c2nc3c([nH]c(=O)n3-c3ccc4c(c3)OCO4)c(C(N)=O)n2)c1[O-]	ZINC000009739488	569565034	/nfs/dbraw/zinc/56/50/34/569565034.db2.gz	CWBPLKVBYMZKNS-UHFFFAOYSA-N	-1	0	435.396	1.708	50	0		IDAARM
COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])n1	ZINC000071333752	569575673	/nfs/dbraw/zinc/57/56/73/569575673.db2.gz	ZFWKZAAOAVFHPD-GOSISDBHSA-N	-1	0	425.416	1.870	50	0		IDAARM
O=C([O-])c1cccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(Cl)cc54)c(=O)n3C2)c1	ZINC000002197735	132248661	/nfs/dbraw/zinc/24/86/61/132248661.db2.gz	IHCLSZCCHAZUGR-NXVVXOECSA-N	-1	0	440.868	1.467	50	0		IDAARM
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	ZINC000012866567	519388466	/nfs/dbraw/zinc/38/84/66/519388466.db2.gz	DSYKOLXYZDJCGD-BPUTZDHNSA-N	-1	0	443.541	1.115	50	0	biogenic	IDAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1	ZINC000012180104	519678859	/nfs/dbraw/zinc/67/88/59/519678859.db2.gz	OGMPMMVCFAZGJI-INIZCTEOSA-N	-1	0	430.486	1.747	50	0		IDAARM
CCOC(=O)COc1c(I)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000016156649	520798547	/nfs/dbraw/zinc/79/85/47/520798547.db2.gz	DRESWGYYJKKFQP-BJMVGYQFSA-N	-1	0	446.197	1.422	50	0		IDAARM
COC(=O)c1ccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2C(=O)N2CCOCC2)cc1	ZINC000021154369	522131423	/nfs/dbraw/zinc/13/14/23/522131423.db2.gz	YMNOEYKDPKIIDC-UHFFFAOYSA-N	-1	0	435.502	1.702	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)N[C@@H](CCSC)C(=O)[O-]	ZINC000012889519	522374067	/nfs/dbraw/zinc/37/40/67/522374067.db2.gz	PZDCDLRIQOKDII-IFIJOSMWSA-N	-1	0	436.534	1.892	50	0	biogenic	IDAARM
CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)[N-]C[C@@H]2CCCO2)s1	ZINC000020486129	523057458	/nfs/dbraw/zinc/05/74/58/523057458.db2.gz	RVELTOKXBAMYBM-UONOGXRCSA-N	-1	0	426.520	1.792	50	0		IDAARM
CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-]	ZINC000012660221	525701370	/nfs/dbraw/zinc/70/13/70/525701370.db2.gz	NPQAQXMWDAMBJC-BPUTZDHNSA-N	-1	0	437.518	1.225	50	0	biogenic	IDAARM
O=C([O-])c1ccc(OCCNS(=O)(=O)c2ccc3c4c2CCCN4C(=O)CO3)cc1	ZINC000012429051	526380438	/nfs/dbraw/zinc/38/04/38/526380438.db2.gz	NDZDGACJLZSQQT-UHFFFAOYSA-N	-1	0	432.454	1.414	50	0		IDAARM
O=S(=O)([N-]c1ccccc1-n1cncn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012520860	527254883	/nfs/dbraw/zinc/25/48/83/527254883.db2.gz	JYCDVCCNPKROTN-UHFFFAOYSA-N	-1	0	449.514	1.089	50	0		IDAARM
O=C([O-])COCC(=O)Nc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1	ZINC000012375891	527613581	/nfs/dbraw/zinc/61/35/81/527613581.db2.gz	PCBDUWJVPKGCAE-UHFFFAOYSA-N	-1	0	425.441	1.325	50	0		IDAARM
O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CCC(=O)N1C(=O)OCc1ccccc1	ZINC000012657787	527648436	/nfs/dbraw/zinc/64/84/36/527648436.db2.gz	UHDRGDWZXSOMOP-QZTJIDSGSA-N	-1	0	426.425	1.832	50	0	biogenic	IDAARM
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2nccs2)CC1	ZINC000010269602	555692724	/nfs/dbraw/zinc/69/27/24/555692724.db2.gz	ZHJCYGAWIWSPBY-INIZCTEOSA-N	-1	0	426.539	1.934	50	0		IDAARM
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)N3CCCC3)[n-]c2=O)cc1OC	ZINC000002712588	556122336	/nfs/dbraw/zinc/12/23/36/556122336.db2.gz	YSMALFWPYUPJGW-UHFFFAOYSA-N	-1	0	433.490	1.336	50	0		IDAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3Br)c(=O)c1-2	ZINC000008416450	556167672	/nfs/dbraw/zinc/16/76/72/556167672.db2.gz	FPPTVAKOAVFKQV-BDAKNGLRSA-N	-1	0	431.040	1.202	50	0		IDAARM
CC1(C)CS(=O)(=O)N(c2ccc(S(=O)(=O)[N-]c3ccccc3C(N)=O)cc2)C1=O	ZINC000013690594	556280050	/nfs/dbraw/zinc/28/00/50/556280050.db2.gz	HVKYCGJSJKWAEN-UHFFFAOYSA-N	-1	0	437.499	1.289	50	0		IDAARM
NS(=O)(=O)c1ccc(NC(=O)CSC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)cc1	ZINC000009805400	556309436	/nfs/dbraw/zinc/30/94/36/556309436.db2.gz	IISUFMLXQFOCGT-UHFFFAOYSA-N	-1	0	446.510	1.445	50	0		IDAARM
CN(C)S(=O)(=O)c1ccc(C(=O)[N-]C(=O)COC(=O)c2ccc3c(c2)CCC3)cc1	ZINC000013023288	556439917	/nfs/dbraw/zinc/43/99/17/556439917.db2.gz	MCXBXLBXUKHKJW-UHFFFAOYSA-N	-1	0	430.482	1.539	50	0		IDAARM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1nnnn1-c1ccc(O)cc1	ZINC000013394500	556504283	/nfs/dbraw/zinc/50/42/83/556504283.db2.gz	HHFSXXFFCHTTBM-QGZVFWFLSA-N	-1	0	438.469	1.753	50	0		IDAARM
CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)cc2C[C@@H]1C	ZINC000013460087	556506443	/nfs/dbraw/zinc/50/64/43/556506443.db2.gz	CHMFRLSYKZFPNS-LBPRGKRZSA-N	-1	0	431.470	1.599	50	0		IDAARM
NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000030836149	556507418	/nfs/dbraw/zinc/50/74/18/556507418.db2.gz	LIEJZONPUXNLHP-QZTJIDSGSA-N	-1	0	443.456	1.065	50	0		IDAARM
C[C@@H](NC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000015996880	556572074	/nfs/dbraw/zinc/57/20/74/556572074.db2.gz	ITTCLBHTTYJURL-QAPCUYQASA-N	-1	0	447.532	1.950	50	0		IDAARM
C[C@H](NC(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000015996878	556572086	/nfs/dbraw/zinc/57/20/86/556572086.db2.gz	ITTCLBHTTYJURL-MAUKXSAKSA-N	-1	0	447.532	1.950	50	0		IDAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)[C@H](C)CS2(=O)=O)cc1	ZINC000011858234	556663524	/nfs/dbraw/zinc/66/35/24/556663524.db2.gz	GQXNVTRAICCEDO-GFCCVEGCSA-N	-1	0	438.483	1.587	50	0		IDAARM
COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1OC	ZINC000011858344	556663821	/nfs/dbraw/zinc/66/38/21/556663821.db2.gz	MKYCHLBZWBNXPO-UHFFFAOYSA-N	-1	0	440.499	1.880	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O)C(=O)[O-]	ZINC000011865637	556665534	/nfs/dbraw/zinc/66/55/34/556665534.db2.gz	CZDXKILKCGBBOE-PRWKNARSSA-N	-1	0	448.472	1.393	50	0		IDAARM
Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc12	ZINC000011866862	556666956	/nfs/dbraw/zinc/66/69/56/556666956.db2.gz	UVJYJIYMKNJCGC-SFHVURJKSA-N	-1	0	438.436	1.409	50	0		IDAARM
Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)NC4=O)CC2)cc1	ZINC000011127841	556710815	/nfs/dbraw/zinc/71/08/15/556710815.db2.gz	LLUMDPURLDPDNZ-UHFFFAOYSA-N	-1	0	427.482	1.918	50	0		IDAARM
CCOC(=O)N1CCN(C(=O)Cn2c([O-])nc3c(-c4ccccc4)c[nH]c3c2=O)CC1	ZINC000033037955	556723973	/nfs/dbraw/zinc/72/39/73/556723973.db2.gz	WIGSDOJRVAPQNH-UHFFFAOYSA-N	-1	0	425.445	1.398	50	0		IDAARM
CC(C)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1)C(=O)[O-]	ZINC000080358390	556739140	/nfs/dbraw/zinc/73/91/40/556739140.db2.gz	RSBSMAQWXADQET-SMDDNHRTSA-N	-1	0	426.520	1.317	50	0		IDAARM
CCC(=O)Nc1ccc2nc(N3CCN(CC(=O)NCCOC)CC3)cc(C(=O)[O-])c2c1	ZINC000033260746	556897485	/nfs/dbraw/zinc/89/74/85/556897485.db2.gz	ONWCYWYRRSFNOP-UHFFFAOYSA-N	-1	0	443.504	1.166	50	0		IDAARM
COc1ccc(OC)c([C@@H]2[NH2+][C@H](C(=O)[O-])[C@H]3C(=O)N(c4cccc(C(=O)[O-])c4)C(=O)[C@H]23)c1	ZINC000020131155	556987692	/nfs/dbraw/zinc/98/76/92/556987692.db2.gz	ZRBRCYWEXZDFLF-XSLAGTTESA-N	-1	0	440.408	1.305	50	0		IDAARM
O=C([O-])[C@H]1Cc2cc(I)c([O-])c(I)c2C[NH2+]1	ZINC000085223730	557100925	/nfs/dbraw/zinc/10/09/25/557100925.db2.gz	FGHLNNQVWGFFNZ-SSDOTTSWSA-N	-1	0	444.994	1.700	50	0		IDAARM
COc1ccc(CN2CCN(S(=O)(=O)c3ccc(CC(=O)[O-])s3)CC2)cc1OC	ZINC000049600860	557114740	/nfs/dbraw/zinc/11/47/40/557114740.db2.gz	YPWIPCWQVNMOFI-UHFFFAOYSA-N	-1	0	440.543	1.899	50	0		IDAARM
NC(=O)c1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)C=CC(=O)[O-])c3)C2=O)cc1	ZINC000113561211	557115917	/nfs/dbraw/zinc/11/59/17/557115917.db2.gz	XCQRFNGCIVMZAI-ROJDOSBLSA-N	-1	0	439.449	1.789	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1cccc(F)c1	ZINC000095481497	557157565	/nfs/dbraw/zinc/15/75/65/557157565.db2.gz	QBYBDDBHNXSDPH-ZWKOTPCHSA-N	-1	0	425.376	1.529	50	0		IDAARM
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000095947777	557162264	/nfs/dbraw/zinc/16/22/64/557162264.db2.gz	IWMLCAVOPVNHSI-HZPDHXFCSA-N	-1	0	443.485	1.391	50	0		IDAARM
Cn1c(=O)c(=O)[nH]c2cc(CCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])ccc21	ZINC000218273560	557186933	/nfs/dbraw/zinc/18/69/33/557186933.db2.gz	YPGAWXCHXSGMGI-SFHVURJKSA-N	-1	0	434.452	1.453	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3ccco3)[C@@H]2C1=O	ZINC000247663734	557202710	/nfs/dbraw/zinc/20/27/10/557202710.db2.gz	VEAZGPPZOQXRGA-KSTYRUHBSA-N	-1	0	432.479	1.587	50	0		IDAARM
CC(C)[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)C(=O)NC(N)=O	ZINC000010923425	557226208	/nfs/dbraw/zinc/22/62/08/557226208.db2.gz	VGKYCCVTZKTIEB-AWEZNQCLSA-N	-1	0	425.488	1.925	50	0		IDAARM
CCc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc5c(c4)OCCO5)c=3c2=O)cc1	ZINC000100033012	557238108	/nfs/dbraw/zinc/23/81/08/557238108.db2.gz	IQTAYBXSABNVRF-UXHICEINSA-N	-1	0	435.440	1.952	50	0		IDAARM
Cc1ccc(CNC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc5c(c4)OCCO5)c(=O)c2=3)cc1	ZINC000100036676	557238558	/nfs/dbraw/zinc/23/85/58/557238558.db2.gz	QQURJDVPKTUYQZ-WOJBJXKFSA-N	-1	0	435.440	1.376	50	0		IDAARM
Cc1cc(C)nc(-n2[n-]c3[nH]c(CSc4nnnn4-c4ccccc4)cc(=O)c3c2=O)n1	ZINC000018240899	557253621	/nfs/dbraw/zinc/25/36/21/557253621.db2.gz	JGQPINLBVFWJBP-UHFFFAOYSA-N	-1	0	447.484	1.682	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2	ZINC000101169300	557259214	/nfs/dbraw/zinc/25/92/14/557259214.db2.gz	AFGXUIHMTQMHMH-ROUUACIJSA-N	-1	0	443.366	1.668	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc2c(c1)OCO2	ZINC000101169296	557259234	/nfs/dbraw/zinc/25/92/34/557259234.db2.gz	GOEJWZSECZPHNV-SJORKVTESA-N	-1	0	429.339	1.625	50	0		IDAARM
CCCCn1c(=O)[nH]c(=O)c(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)C2)c1[O-]	ZINC000101455766	557286385	/nfs/dbraw/zinc/28/63/85/557286385.db2.gz	OVPVKLYGFHTEBX-HNNXBMFYSA-N	-1	0	430.461	1.757	50	0		IDAARM
CCC(=O)Oc1cc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2C(=O)CC)ccc1OC	ZINC000101766223	557295371	/nfs/dbraw/zinc/29/53/71/557295371.db2.gz	RAPWPBNMJJTYLC-CYBMUJFWSA-N	-1	0	444.444	1.191	50	0		IDAARM
O=C(c1nn(-c2ccccc2)cc1[O-])N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	ZINC000014110722	557304093	/nfs/dbraw/zinc/30/40/93/557304093.db2.gz	QBDQOYSLQABKSN-UHFFFAOYSA-N	-1	0	430.461	1.864	50	0		IDAARM
COC(=O)c1[n-][nH]c2c(O)n(-c3ccc(Br)cc3Br)c(=O)c1-2	ZINC000103129587	557313188	/nfs/dbraw/zinc/31/31/88/557313188.db2.gz	FPPTVAKOAVFKQV-RKDXNWHRSA-N	-1	0	431.040	1.202	50	0		IDAARM
O=C(c1ccc([O-])c(Cl)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1	ZINC000032992602	557321895	/nfs/dbraw/zinc/32/18/95/557321895.db2.gz	DLVNWZSGXPDPSR-UHFFFAOYSA-N	-1	0	438.889	1.964	50	0		IDAARM
COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c(=O)nc2ccccn2c1[O-]	ZINC000205949260	557368169	/nfs/dbraw/zinc/36/81/69/557368169.db2.gz	CRUDPIDSIFDGSW-HNNXBMFYSA-N	-1	0	435.436	1.956	50	0		IDAARM
NC(=O)COc1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1	ZINC000028256442	557699483	/nfs/dbraw/zinc/69/94/83/557699483.db2.gz	JACHCGLBRHABOR-UHFFFAOYSA-N	-1	0	429.248	1.812	50	0		IDAARM
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2nc3ncccn3n2)c(Br)c1	ZINC000225399147	557718442	/nfs/dbraw/zinc/71/84/42/557718442.db2.gz	KZGBQLXJZYZJQE-UHFFFAOYSA-N	-1	0	432.281	1.091	50	0		IDAARM
CCNC(=O)COc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2[O-])c1	ZINC000240894764	557845737	/nfs/dbraw/zinc/84/57/37/557845737.db2.gz	IPQHIJQJBRTOTE-UHFFFAOYSA-N	-1	0	426.404	1.641	50	0		IDAARM
Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(=O)NCC(=O)[O-])oc1c3CCCC1	ZINC000002154892	562926031	/nfs/dbraw/zinc/92/60/31/562926031.db2.gz	GRMKNNMIRVOSAL-UHFFFAOYSA-N	-1	0	440.452	1.976	50	0	biogenic	IDAARM
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000004302333	562943103	/nfs/dbraw/zinc/94/31/03/562943103.db2.gz	KOWXEOKQUJEIQD-JSGCOSHPSA-N	-1	0	431.555	1.461	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1S(=O)(=O)N1CCOCC1	ZINC000008826190	562964442	/nfs/dbraw/zinc/96/44/42/562964442.db2.gz	FRQMDGKPFSQERD-UHFFFAOYSA-N	-1	0	448.469	1.795	50	0		IDAARM
Cc1c2ccc(O)cc2oc(=O)c1CC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)[O-]	ZINC000008876451	562965584	/nfs/dbraw/zinc/96/55/84/562965584.db2.gz	JTQLALMTODKNTM-GOSISDBHSA-N	-1	0	438.436	1.278	50	0	biogenic	IDAARM
CCOC(=O)N1CCN(C(=O)C(=O)Nc2sc3c(c2C(=O)[O-])CC(C)(C)OC3)CC1	ZINC000009435424	562971000	/nfs/dbraw/zinc/97/10/00/562971000.db2.gz	KOFRNRJMKWZBMR-UHFFFAOYSA-N	-1	0	439.490	1.537	50	0		IDAARM
C[C@@]12CC[C@H]3c4ccc(O[C@H]5O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]5O)cc4CC[C@@H]3[C@@H]1CC[C@H]2O	ZINC000253614957	568643969	/nfs/dbraw/zinc/64/39/69/568643969.db2.gz	MUOHJTRCBBDUOW-OHMXZMAWSA-N	-1	0	448.512	1.175	50	0		IDAARM
CCN(Cc1ccc2c(c1)OCO2)C(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2	ZINC000084777500	568801341	/nfs/dbraw/zinc/80/13/41/568801341.db2.gz	RFGLOOSLUUIVFC-UHFFFAOYSA-N	-1	0	427.442	1.773	50	0		IDAARM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cccn(Cc3ccccc3)c2=O)cc1	ZINC000015882788	568857441	/nfs/dbraw/zinc/85/74/41/568857441.db2.gz	FKRFVZUVFHDITO-UHFFFAOYSA-N	-1	0	425.466	1.974	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)[O-]	ZINC000015956510	568859836	/nfs/dbraw/zinc/85/98/36/568859836.db2.gz	CIKMDCQKPKFRRX-ODXCJYRJSA-N	-1	0	432.473	1.829	50	0		IDAARM
CC(C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)[O-]	ZINC000012946023	568870914	/nfs/dbraw/zinc/87/09/14/568870914.db2.gz	MCFFHLINMWUGDL-QGZVFWFLSA-N	-1	0	426.491	1.084	50	0		IDAARM
Cn1c(=O)n(CCNS(=O)(=O)c2ccc(Br)s2)nc1C(F)(F)F	ZINC000090591510	568888553	/nfs/dbraw/zinc/88/85/53/568888553.db2.gz	LNJQFBKSGOTDFU-UHFFFAOYSA-N	-1	0	435.247	1.403	50	0		IDAARM
Cc1ccccc1-n1nnnc1[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O	ZINC000245310089	568914431	/nfs/dbraw/zinc/91/44/31/568914431.db2.gz	HNRXJCZEOHTRIT-WDDJOWQOSA-N	-1	0	443.463	1.927	50	0		IDAARM
CC(C)(C)C(=O)Nc1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)cc1C(=O)[O-]	ZINC000064589990	568935254	/nfs/dbraw/zinc/93/52/54/568935254.db2.gz	HGXADGPVSHASCV-UHFFFAOYSA-N	-1	0	432.521	1.350	50	0		IDAARM
O=CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CCC(=O)[O-])c3cc(Br)ccc23)CC1	ZINC000036353704	569084113	/nfs/dbraw/zinc/08/41/13/569084113.db2.gz	XQAKIYUWDNYGKN-KRWDZBQOSA-N	-1	0	438.278	1.778	50	0		IDAARM
COc1cc2c(cc1OC)[C@H](c1c([O-])[nH]c(=O)n(-c3ccccc3OC)c1=O)NCC2	ZINC000017197644	569175776	/nfs/dbraw/zinc/17/57/76/569175776.db2.gz	WWAUVWRFABKIIP-LJQANCHMSA-N	-1	0	425.441	1.492	50	0	biogenic	IDAARM
Cc1cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c2c3c(c(=O)oc2c1)CCC3	ZINC000002112482	569182128	/nfs/dbraw/zinc/18/21/28/569182128.db2.gz	OSTSSHAHCYVZSY-FQEVSTJZSA-N	-1	0	430.457	1.311	50	0	biogenic	IDAARM
COc1ccccc1-c1nc2sc(=C3c4ccccc4N(CC(=O)[O-])C3=O)c(=O)n2n1	ZINC000252477839	569185972	/nfs/dbraw/zinc/18/59/72/569185972.db2.gz	WDYVVVKBDPGTFS-UHFFFAOYSA-N	-1	0	434.433	1.176	50	0		IDAARM
CCCC[C@@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000002140346	569186613	/nfs/dbraw/zinc/18/66/13/569186613.db2.gz	SQXKNHOEEMBZKG-GOSISDBHSA-N	-1	0	444.484	1.926	50	0	biogenic	IDAARM
Cc1c(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc2c3c(c(=O)oc12)CCC3	ZINC000002158497	569187661	/nfs/dbraw/zinc/18/76/61/569187661.db2.gz	LSYQLRVEPUYRLI-IBGZPJMESA-N	-1	0	430.457	1.311	50	0	biogenic	IDAARM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(-n3cncn3)nc2)c(Br)o1	ZINC000170664787	569194532	/nfs/dbraw/zinc/19/45/32/569194532.db2.gz	XJXNYZZSNIFZAP-UHFFFAOYSA-N	-1	0	428.224	1.605	50	0		IDAARM
Cc1nc(-n2[n-]c3c(c2=O)CCCC3)[nH]c(=O)c1CCCN1C(=O)c2ccccc2C1=O	ZINC000008873609	569291824	/nfs/dbraw/zinc/29/18/24/569291824.db2.gz	LBSYNSXOJYLXMV-UHFFFAOYSA-N	-1	0	433.468	1.665	50	0		IDAARM
COc1ccc([C@H](CC(=O)N2CCOCC2)c2oc(C)cc(=O)c2O)c(C(=O)[O-])c1OC	ZINC000096221567	569386912	/nfs/dbraw/zinc/38/69/12/569386912.db2.gz	INSLRYKPLZEVJT-AWEZNQCLSA-N	-1	0	447.440	1.750	50	0	biogenic	IDAARM
COc1cc(-c2nc(=O)c(CCC(=O)N3CCOCC3)n[n-]2)ccc1OCC1CCC1	ZINC000096281925	569390202	/nfs/dbraw/zinc/39/02/02/569390202.db2.gz	MAYSHXBRVRNPAE-UHFFFAOYSA-N	-1	0	428.489	1.811	50	0		IDAARM
COc1ccccc1N1CCN(C(=O)c2snc3c2nc([O-])n(C2CC2)c3=O)CC1	ZINC000096396706	569399152	/nfs/dbraw/zinc/39/91/52/569399152.db2.gz	VCXJNZNNJHYTSN-UHFFFAOYSA-N	-1	0	427.486	1.865	50	0		IDAARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cc2)C1	ZINC000002469199	569403910	/nfs/dbraw/zinc/40/39/10/569403910.db2.gz	NSMZQNRPHVRYOL-NSHDSACASA-N	-1	0	426.882	1.064	50	0		IDAARM
CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)[O-]	ZINC000004073723	569458620	/nfs/dbraw/zinc/45/86/20/569458620.db2.gz	DDBGUDLYNNOSQR-HOTGVXAUSA-N	-1	0	427.542	2.000	50	0	biogenic	IDAARM
Cn1c2nc3n(cc(-c4ccccc4)n3-c3ccc(CC(=O)[O-])cc3)c2c(=O)n(C)c1=O	ZINC000008846490	569479031	/nfs/dbraw/zinc/47/90/31/569479031.db2.gz	DZDIRKZAEDVNJL-UHFFFAOYSA-N	-1	0	429.436	1.970	50	0		IDAARM
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)CC1	ZINC000008918351	569486280	/nfs/dbraw/zinc/48/62/80/569486280.db2.gz	NXADUFFZUKDORH-SDADXPQNSA-N	-1	0	443.541	1.115	50	0	biogenic	IDAARM
C[C@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1ccc(S(C)(=O)=O)cc1	ZINC000069560037	569507220	/nfs/dbraw/zinc/50/72/20/569507220.db2.gz	WZWPDHZFOOGAOX-NSHDSACASA-N	-1	0	447.498	1.276	50	0		IDAARM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cnc2sccn2c1=O	ZINC000009381280	569528083	/nfs/dbraw/zinc/52/80/83/569528083.db2.gz	XZSKMFIKMGPJPU-UHFFFAOYSA-N	-1	0	428.455	1.599	50	0		IDAARM
O=C([O-])Cn1c(=O)c2c3c(sc2n(CC(=O)NCCc2ccccc2)c1=O)CCCC3	ZINC000009435269	569534801	/nfs/dbraw/zinc/53/48/01/569534801.db2.gz	QUGAOKLWWITYAA-UHFFFAOYSA-N	-1	0	441.509	1.547	50	0		IDAARM
O=S(=O)([N-]CC1CCN(S(=O)(=O)c2cccnc2)CC1)c1c(F)cccc1F	ZINC000070924468	569563526	/nfs/dbraw/zinc/56/35/26/569563526.db2.gz	MKOQGUQMYNFOLO-UHFFFAOYSA-N	-1	0	431.486	1.739	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)[O-]	ZINC000009723110	569563533	/nfs/dbraw/zinc/56/35/33/569563533.db2.gz	QCAGHEZWUZTRPN-SCLBCKFNSA-N	-1	0	442.534	1.720	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)[O-]	ZINC000009723102	569563535	/nfs/dbraw/zinc/56/35/35/569563535.db2.gz	QCAGHEZWUZTRPN-ACJLOTCBSA-N	-1	0	442.534	1.720	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(OC)c(OC)c4)c=3c2=O)cc1	ZINC000009835880	569570670	/nfs/dbraw/zinc/57/06/70/569570670.db2.gz	RTYYFXIMHRVRMH-MOPGFXCFSA-N	-1	0	439.428	1.644	50	0		IDAARM
Cc1ccc([C@H](CC(=O)[O-])Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	ZINC000008680446	132290129	/nfs/dbraw/zinc/29/01/29/132290129.db2.gz	WVSNBQMWNXFFPT-KRWDZBQOSA-N	-1	0	428.493	1.481	50	0		IDAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)OCC(=O)N1CCN(c2ccc(F)cc2)CC1	ZINC000010265743	132335300	/nfs/dbraw/zinc/33/53/00/132335300.db2.gz	MOOSXUSSACJKLN-UHFFFAOYSA-N	-1	0	435.477	1.703	50	0		IDAARM
C[C@@H]1Cn2c(nc3c2c(=O)n(CC(=O)[O-])c(=O)n3C)N(c2ccc(Br)cc2)C1	ZINC000010271965	132335309	/nfs/dbraw/zinc/33/53/09/132335309.db2.gz	DSQJCAXCHILRJR-JTQLQIEISA-N	-1	0	448.277	1.532	50	0		IDAARM
CC(C)(C)NC(=O)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1	ZINC000015372780	518733603	/nfs/dbraw/zinc/73/36/03/518733603.db2.gz	OGJVBPFOVHPABZ-UHFFFAOYSA-N	-1	0	445.501	1.302	50	0		IDAARM
CCOC(=O)N1CCN(C(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)CC1	ZINC000012361055	520945735	/nfs/dbraw/zinc/94/57/35/520945735.db2.gz	NYUYXIKHDFKYNA-UHFFFAOYSA-N	-1	0	430.483	1.330	50	0		IDAARM
CCCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12	ZINC000012871575	521260425	/nfs/dbraw/zinc/26/04/25/521260425.db2.gz	JLARNNJLNBOOBC-NRFANRHFSA-N	-1	0	432.473	1.856	50	0	biogenic	IDAARM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2O)c1	ZINC000012521349	521990724	/nfs/dbraw/zinc/99/07/24/521990724.db2.gz	BYFQHJSVWSJCTA-UHFFFAOYSA-N	-1	0	428.488	1.538	50	0		IDAARM
CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(S(=O)(=O)[N-]C[C@H]2CCCO2)s1	ZINC000020486138	522888686	/nfs/dbraw/zinc/88/86/86/522888686.db2.gz	RVELTOKXBAMYBM-KGLIPLIRSA-N	-1	0	426.520	1.792	50	0		IDAARM
COc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NCC(=O)[O-])cc1	ZINC000016676236	523380110	/nfs/dbraw/zinc/38/01/10/523380110.db2.gz	UQBZQZOFIWFBNK-CXUHLZMHSA-N	-1	0	444.440	1.693	50	0		IDAARM
COc1ccc(N2C[C@@H](NC(=O)Nc3ccc(S(=O)(=O)[N-]C(C)=O)cc3)CC2=O)cc1	ZINC000016047646	524444542	/nfs/dbraw/zinc/44/45/42/524444542.db2.gz	RKFKJLHKJQPDNG-HNNXBMFYSA-N	-1	0	446.485	1.447	50	0		IDAARM
COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)CC1=O	ZINC000012322194	524578760	/nfs/dbraw/zinc/57/87/60/524578760.db2.gz	NHCJEFQOWJPSNF-AWEZNQCLSA-N	-1	0	431.470	1.512	50	0		IDAARM
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000012235974	526306833	/nfs/dbraw/zinc/30/68/33/526306833.db2.gz	YIASKQMAFMCFPC-AWEZNQCLSA-N	-1	0	427.504	1.432	50	0		IDAARM
O=C([O-])CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@H]4c3cccnc3)[C@@H]2C1=O	ZINC000238901756	527608406	/nfs/dbraw/zinc/60/84/06/527608406.db2.gz	MLQZGIPLWFHGLW-OBPFAHSISA-N	-1	0	443.506	1.389	50	0		IDAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CS(=O)(=O)c3ccccc3)cc2)n1	ZINC000002419315	555777362	/nfs/dbraw/zinc/77/73/62/555777362.db2.gz	CCZFIXBBXSRGOY-UHFFFAOYSA-N	-1	0	446.510	1.998	50	0		IDAARM
COCCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)cc1	ZINC000003131828	555890536	/nfs/dbraw/zinc/89/05/36/555890536.db2.gz	SVRVYKWDJKVRIB-UHFFFAOYSA-N	-1	0	444.531	1.819	50	0		IDAARM
CCOC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)nc(OC)n2)cc1	ZINC000003991838	555952204	/nfs/dbraw/zinc/95/22/04/555952204.db2.gz	ONCDIRFZSBSJNK-UHFFFAOYSA-N	-1	0	438.462	1.576	50	0		IDAARM
Cn1cc(I)c(C(=O)[N-]n2c(=O)c3ccccc3[nH]c2=S)n1	ZINC000002789952	556139304	/nfs/dbraw/zinc/13/93/04/556139304.db2.gz	YLTIDXUQIVHQET-UHFFFAOYSA-N	-1	0	427.227	1.407	50	0		IDAARM
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)CC1	ZINC000002803890	556142628	/nfs/dbraw/zinc/14/26/28/556142628.db2.gz	QNSCYXWTHPDLGV-UHFFFAOYSA-N	-1	0	444.560	1.554	50	0		IDAARM
CC(=O)NCCNC(=O)c1ccc(Cn2c(=O)c3cc4c(cc3[n-]c2=S)OCO4)cc1	ZINC000002975399	556153554	/nfs/dbraw/zinc/15/35/54/556153554.db2.gz	MSVPKNPETDLDTG-UHFFFAOYSA-N	-1	0	440.481	1.328	50	0		IDAARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(=O)NC[C@H](O)c3ccccc3)cc2)no1	ZINC000013693435	556282899	/nfs/dbraw/zinc/28/28/99/556282899.db2.gz	LNJHGBJQRWXILD-KRWDZBQOSA-N	-1	0	444.469	1.572	50	0		IDAARM
Nc1ccc(S(=O)(=O)[N-]c2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1	ZINC000032604820	556406626	/nfs/dbraw/zinc/40/66/26/556406626.db2.gz	AEWZZFSMOITMDM-UHFFFAOYSA-N	-1	0	427.490	1.835	50	0		IDAARM
CC(C)CN1C[C@H](OCc2ccccc2)CN(C(=O)C[C@@H]2SC(=O)[N-]C2=O)CC1=O	ZINC000014750515	556443199	/nfs/dbraw/zinc/44/31/99/556443199.db2.gz	NELUIUBEPXOQAQ-IRXDYDNUSA-N	-1	0	433.530	1.640	50	0		IDAARM
CN(C)S(=O)(=O)c1ccc(O)c([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)c1	ZINC000028255808	556447258	/nfs/dbraw/zinc/44/72/58/556447258.db2.gz	YNSFGIGNHDPBSH-UHFFFAOYSA-N	-1	0	428.488	1.605	50	0		IDAARM
COCCOc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C(=O)[O-])cc1OC	ZINC000013453708	556506232	/nfs/dbraw/zinc/50/62/32/556506232.db2.gz	RGZYKPKBECEMRE-UHFFFAOYSA-N	-1	0	436.442	1.714	50	0		IDAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2SC1	ZINC000015947218	556568022	/nfs/dbraw/zinc/56/80/22/556568022.db2.gz	CELMTIZIKITZRZ-MLGOLLRUSA-N	-1	0	444.387	1.621	50	0		IDAARM
Cc1oc(C)c(C(=O)[N-]S(=O)(=O)CCN2CCN(C(=O)OC(C)(C)C)CC2)c1C	ZINC000072310702	556576761	/nfs/dbraw/zinc/57/67/61/556576761.db2.gz	WPEIOZJBWKSZCE-UHFFFAOYSA-N	-1	0	429.539	1.817	50	0		IDAARM
Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1	ZINC000011866156	556666001	/nfs/dbraw/zinc/66/60/01/556666001.db2.gz	GCKWDXNVCSESSO-LBPRGKRZSA-N	-1	0	429.545	1.098	50	0		IDAARM
CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])ccc12	ZINC000011866788	556666912	/nfs/dbraw/zinc/66/69/12/556666912.db2.gz	PBAIRUYFAXCEPT-HNNXBMFYSA-N	-1	0	433.461	1.451	50	0	biogenic	IDAARM
O=C(c1cc(S(=O)(=O)[N-]c2cccc(C(=O)N3CCC[C@H](O)C3)c2)c[nH]1)N1CCCC1	ZINC000058244453	556774830	/nfs/dbraw/zinc/77/48/30/556774830.db2.gz	DFYZYJDDOBMVDQ-KRWDZBQOSA-N	-1	0	446.529	1.648	50	0		IDAARM
CCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CC4)ccc3n2)CC1	ZINC000033260837	556897528	/nfs/dbraw/zinc/89/75/28/556897528.db2.gz	STCFPEUMPRGTQW-UHFFFAOYSA-N	-1	0	439.516	1.930	50	0		IDAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(OC)c4)c(=O)c2=3)cc1	ZINC000101169824	557259433	/nfs/dbraw/zinc/25/94/33/557259433.db2.gz	DPSISPCLGVGVBZ-RTBURBONSA-N	-1	0	439.428	1.644	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccc(F)cc4F)c=3c2=O)cc1OC	ZINC000101169928	557259609	/nfs/dbraw/zinc/25/96/09/557259609.db2.gz	HOVNRZDOSVQSFF-ZWKOTPCHSA-N	-1	0	445.382	1.914	50	0		IDAARM
Cc1noc(C)c1S(=O)(=O)[N-]C(=O)[C@H]1CCN(c2ccccc2Br)C1=O	ZINC000072270787	557262542	/nfs/dbraw/zinc/26/25/42/557262542.db2.gz	NTMUCYJDGUIIIN-LLVKDONJSA-N	-1	0	442.291	1.912	50	0		IDAARM
Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1C(=O)Nc1nc(-c2cccc(F)c2)cs1	ZINC000101186967	557262968	/nfs/dbraw/zinc/26/29/68/557262968.db2.gz	UGWUYKDCXVWABE-DZGCQCFKSA-N	-1	0	436.490	1.909	50	0		IDAARM
COc1cc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2C(C)=O)cc(OC)c1OC	ZINC000101495072	557288625	/nfs/dbraw/zinc/28/86/25/557288625.db2.gz	GIHMQDFFTQNRKW-GFCCVEGCSA-N	-1	0	434.474	1.872	50	0		IDAARM
Cc1nnc([N-][C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)s1	ZINC000101656114	557293578	/nfs/dbraw/zinc/29/35/78/557293578.db2.gz	CWXASFDLWVPAQF-MRXNPFEDSA-N	-1	0	438.391	1.567	50	0		IDAARM
O=C1Nc2c(c(=O)[nH]c(=O)n2CCc2ccccc2)[C@]1([N-]c1ncccn1)C(F)(F)F	ZINC000101665890	557293878	/nfs/dbraw/zinc/29/38/78/557293878.db2.gz	VUPPVOCLWDLORV-GOSISDBHSA-N	-1	0	432.362	1.391	50	0		IDAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCc1ccc3c(c1)OCO3)c2=O	ZINC000012415782	557835571	/nfs/dbraw/zinc/83/55/71/557835571.db2.gz	QSLHPXRIDWUKJZ-UHFFFAOYSA-N	-1	0	427.438	1.891	50	0		IDAARM
COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)N1CCN(c3ccccn3)CC1)c2=O	ZINC000012415786	557835573	/nfs/dbraw/zinc/83/55/73/557835573.db2.gz	RFJJHDKQKJBVFR-UHFFFAOYSA-N	-1	0	439.497	1.216	50	0		IDAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(=O)[nH]c(=O)n(Cc2ccc(F)cc2)c1[O-]	ZINC000002448813	562927779	/nfs/dbraw/zinc/92/77/79/562927779.db2.gz	WWYXQYASDFTHRC-INIZCTEOSA-N	-1	0	428.372	1.707	50	0		IDAARM
Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[n-]c1=O	ZINC000008617380	562959703	/nfs/dbraw/zinc/95/97/03/562959703.db2.gz	INXLTEBJWFQKPN-UHFFFAOYSA-N	-1	0	443.938	1.164	50	0		IDAARM
C[C@H](NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000008790900	562964222	/nfs/dbraw/zinc/96/42/22/562964222.db2.gz	NNNPVAYTYDQJFO-IJDPYKPMSA-N	-1	0	431.514	1.615	50	0	biogenic	IDAARM
CCN(CC)S(=O)(=O)CCNC(=O)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000084773503	568801044	/nfs/dbraw/zinc/80/10/44/568801044.db2.gz	OEFDDADVOLOWTF-UHFFFAOYSA-N	-1	0	446.576	1.345	50	0		IDAARM
CC(=O)O[C@@H]1CO[C@H](n2cc(C(=O)C(=O)[O-])c3ccccc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000006073933	568821093	/nfs/dbraw/zinc/82/10/93/568821093.db2.gz	GKASZHXFBQGIKI-AFYVEPGGSA-N	-1	0	447.396	1.233	50	0		IDAARM
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)[N-]C=N4)CC2)cc1	ZINC000015860962	568848023	/nfs/dbraw/zinc/84/80/23/568848023.db2.gz	AWTFRJQOOFFMCR-UHFFFAOYSA-N	-1	0	448.526	1.352	50	0		IDAARM
CC[C@H](C)[C@@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)[O-]	ZINC000015956509	568859802	/nfs/dbraw/zinc/85/98/02/568859802.db2.gz	CIKMDCQKPKFRRX-FKIZINRSSA-N	-1	0	432.473	1.829	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3)C(=O)[O-]	ZINC000015956460	568859953	/nfs/dbraw/zinc/85/99/53/568859953.db2.gz	GLNCOTXYXGERHA-ODXCJYRJSA-N	-1	0	444.484	1.701	50	0		IDAARM
CC[C@H](C)C1C(=O)N=C(SCC(=O)N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)N=C1[O-]	ZINC000015958248	568860305	/nfs/dbraw/zinc/86/03/05/568860305.db2.gz	QGOFAJNZBOKJRV-MJBXVCDLSA-N	-1	0	430.530	1.889	50	0		IDAARM
CN1C(=O)C(=NNC(=O)C(=O)Nc2cccc(C(=O)[O-])c2)c2cc(Br)ccc21	ZINC000252621877	568926414	/nfs/dbraw/zinc/92/64/14/568926414.db2.gz	NIWFAOLFNMSDQP-UHFFFAOYSA-N	-1	0	445.229	1.583	50	0		IDAARM
COCC(=O)Nc1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)cc1C(=O)[O-]	ZINC000064589885	568935287	/nfs/dbraw/zinc/93/52/87/568935287.db2.gz	AMBYKZDDCYKSHR-UHFFFAOYSA-N	-1	0	440.500	1.408	50	0		IDAARM
COC(=O)c1ccccc1NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O	ZINC000036367045	569086987	/nfs/dbraw/zinc/08/69/87/569086987.db2.gz	VAIYKJVCRPZBPA-UHFFFAOYSA-N	-1	0	433.467	1.912	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1cc(N2C(=O)[C@H](C)CS2(=O)=O)ccc1OC	ZINC000013689274	569156582	/nfs/dbraw/zinc/15/65/82/569156582.db2.gz	GGWRCHHPIXDIIA-GFCCVEGCSA-N	-1	0	440.499	1.817	50	0		IDAARM
COc1cc2c(cc1OC)[C@@H](c1c([O-])[nH]c(=O)n(-c3ccccc3OC)c1=O)NCC2	ZINC000017197648	569175820	/nfs/dbraw/zinc/17/58/20/569175820.db2.gz	WWAUVWRFABKIIP-IBGZPJMESA-N	-1	0	425.441	1.492	50	0	biogenic	IDAARM
COc1cc2oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c2cc1Cl	ZINC000002116670	569182499	/nfs/dbraw/zinc/18/24/99/569182499.db2.gz	SNJSGRRICZYRNP-SFHVURJKSA-N	-1	0	438.864	1.648	50	0	biogenic	IDAARM
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc(OC)c(OC)cc2oc1=O)C(=O)[O-]	ZINC000002117617	569182541	/nfs/dbraw/zinc/18/25/41/569182541.db2.gz	CZDXKILKCGBBOE-GIPWTMENSA-N	-1	0	448.472	1.393	50	0	biogenic	IDAARM
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12)C(=O)[O-]	ZINC000002125393	569183889	/nfs/dbraw/zinc/18/38/89/569183889.db2.gz	CIKMDCQKPKFRRX-YUNKPMOVSA-N	-1	0	432.473	1.829	50	0	biogenic	IDAARM
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000002131759	569185074	/nfs/dbraw/zinc/18/50/74/569185074.db2.gz	YFYYUMMMSAYHTR-ROUUACIJSA-N	-1	0	441.509	1.796	50	0	biogenic	IDAARM
Cc1c2ccc(OCC(=O)NCC(=O)NCC(=O)[O-])cc2oc(=O)c1Cc1ccccc1	ZINC000002146126	569186794	/nfs/dbraw/zinc/18/67/94/569186794.db2.gz	TUPPGOJYEFCQBD-UHFFFAOYSA-N	-1	0	438.436	1.388	50	0	biogenic	IDAARM
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-]	ZINC000002158923	569187698	/nfs/dbraw/zinc/18/76/98/569187698.db2.gz	YXFYDKGOUWOCQS-WLRWDXFRSA-N	-1	0	432.473	1.829	50	0	biogenic	IDAARM
CSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)[O-]	ZINC000252694629	569210947	/nfs/dbraw/zinc/21/09/47/569210947.db2.gz	NPQAQXMWDAMBJC-CWRNSKLLSA-N	-1	0	437.518	1.225	50	0	biogenic	IDAARM
COc1ccc2c(c1OC)C(=O)O[C@H]2c1c(=O)[nH]c(=O)n(CCc2ccc(F)cc2)c1[O-]	ZINC000002268348	569216480	/nfs/dbraw/zinc/21/64/80/569216480.db2.gz	SDNZGOBURBCPGB-QGZVFWFLSA-N	-1	0	442.399	1.901	50	0		IDAARM
COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(=O)[nH]c(=O)n(CCc2ccc(F)cc2)c1[O-]	ZINC000002268349	569216496	/nfs/dbraw/zinc/21/64/96/569216496.db2.gz	SDNZGOBURBCPGB-KRWDZBQOSA-N	-1	0	442.399	1.901	50	0		IDAARM
CS(=O)(=O)N1CCN([C@H](c2sc3ncnn3c2[O-])c2ccc(F)c(Cl)c2)CC1	ZINC000253414027	569289099	/nfs/dbraw/zinc/28/90/99/569289099.db2.gz	WGPKVYQRBRIVEP-ZDUSSCGKSA-N	-1	0	445.929	1.956	50	0		IDAARM
Cn1c2cc(Br)c(C(=O)NC3(C(=O)[O-])Cc4ccccc4C3)cc2n(C)c1=O	ZINC000095969963	569377387	/nfs/dbraw/zinc/37/73/87/569377387.db2.gz	YEJLRMYHRVHBIY-UHFFFAOYSA-N	-1	0	444.285	1.992	50	0		IDAARM
O=C(CC[N-]S(=O)(=O)c1c(F)cccc1F)NC1CCN(c2nccs2)CC1	ZINC000096099802	569381744	/nfs/dbraw/zinc/38/17/44/569381744.db2.gz	WUOKPULFHBVDAD-UHFFFAOYSA-N	-1	0	430.502	1.875	50	0		IDAARM
COC(=O)C[C@@H](c1cc2ccc(OC)cc2n(C)c1=O)c1c([O-])nc2ccccn2c1=O	ZINC000096115525	569383343	/nfs/dbraw/zinc/38/33/43/569383343.db2.gz	UFGMRBODQXDWBN-HNNXBMFYSA-N	-1	0	435.436	1.956	50	0	biogenic	IDAARM
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000096118103	569384473	/nfs/dbraw/zinc/38/44/73/569384473.db2.gz	FSORWFDDAMYZAQ-CYBMUJFWSA-N	-1	0	442.859	1.939	50	0		IDAARM
CCCOc1cccc(-c2nc(=O)c(CCC(=O)NCCCN3CCOCC3)n[n-]2)c1	ZINC000096281921	569390198	/nfs/dbraw/zinc/39/01/98/569390198.db2.gz	VECFBBRYXSNOTF-UHFFFAOYSA-N	-1	0	429.521	1.392	50	0		IDAARM
O=C(CCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccccn3)ccc21)N1CCOCC1	ZINC000096324127	569395733	/nfs/dbraw/zinc/39/57/33/569395733.db2.gz	CGSOBYBEJJVLTI-UHFFFAOYSA-N	-1	0	448.526	1.508	50	0		IDAARM
O=C(c1snc2c1nc([O-])n(Cc1ccccc1)c2=O)N1CCC2(CC1)OCCO2	ZINC000096396744	569399228	/nfs/dbraw/zinc/39/92/28/569399228.db2.gz	OJMLITATVBUKPZ-UHFFFAOYSA-N	-1	0	428.470	1.586	50	0	biogenic	IDAARM
COc1ccc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1OC	ZINC000096458322	569400701	/nfs/dbraw/zinc/40/07/01/569400701.db2.gz	AAKLZJASADXOQE-ZWKOTPCHSA-N	-1	0	445.382	1.914	50	0		IDAARM
O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000003459131	569451848	/nfs/dbraw/zinc/45/18/48/569451848.db2.gz	DEXIJVDLUBYVQJ-UHFFFAOYSA-N	-1	0	444.473	1.081	50	0		IDAARM
CS(=O)(=O)N1CCN([C@@H](c2sc3ncnn3c2[O-])c2ccccc2Cl)CC1	ZINC000218610055	569458772	/nfs/dbraw/zinc/45/87/72/569458772.db2.gz	LUMKPMPFAOBUNI-CYBMUJFWSA-N	-1	0	427.939	1.816	50	0		IDAARM
CSC[C@H](NC(=O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O)C(=O)[O-]	ZINC000008876682	569481168	/nfs/dbraw/zinc/48/11/68/569481168.db2.gz	SMJDGBAVGNJKCB-IRXDYDNUSA-N	-1	0	433.530	1.868	50	0	biogenic	IDAARM
COc1cc2oc(=O)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(C)c2cc1Cl	ZINC000008952228	569489989	/nfs/dbraw/zinc/48/99/89/569489989.db2.gz	XBTNFUDZOFMOMP-ZDUSSCGKSA-N	-1	0	439.852	1.324	50	0	biogenic	IDAARM
CCCc1cc(=O)oc2cc(OCC(=O)NCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12	ZINC000008952737	569490057	/nfs/dbraw/zinc/49/00/57/569490057.db2.gz	DCRPSJUFMLYVCT-ZSEKCTLFSA-N	-1	0	432.473	1.856	50	0	biogenic	IDAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1	ZINC000008994986	569495573	/nfs/dbraw/zinc/49/55/73/569495573.db2.gz	HLIVWBCNWLFFAL-PXNSSMCTSA-N	-1	0	439.468	1.376	50	0		IDAARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1	ZINC000008994988	569495605	/nfs/dbraw/zinc/49/56/05/569495605.db2.gz	HLIVWBCNWLFFAL-FXAWDEMLSA-N	-1	0	439.468	1.376	50	0		IDAARM
O=C([O-])CCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc32)C1	ZINC000009306727	569521364	/nfs/dbraw/zinc/52/13/64/569521364.db2.gz	FQIYOJUCRRIIKC-ZDUSSCGKSA-N	-1	0	440.547	1.853	50	0		IDAARM
CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(I)cc3)c(=O)c1-2	ZINC000009360739	569525769	/nfs/dbraw/zinc/52/57/69/569525769.db2.gz	KLRWODOACYEKKV-ONGXEEELSA-N	-1	0	442.169	1.065	50	0		IDAARM
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000009466608	569538251	/nfs/dbraw/zinc/53/82/51/569538251.db2.gz	PSPYQUFUDHDPOV-UHFFFAOYSA-N	-1	0	446.572	1.921	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)O[C@@H](C)C(N)=O)c2c1	ZINC000009546157	569546246	/nfs/dbraw/zinc/54/62/46/569546246.db2.gz	XPHDLKKYUSOJPA-NSHDSACASA-N	-1	0	445.453	1.368	50	0		IDAARM
COc1cc(OC)c2c(C)c(CC(=O)N3CCC[C@H](C(=O)NCC(=O)[O-])C3)c(=O)oc2c1	ZINC000009575233	569547957	/nfs/dbraw/zinc/54/79/57/569547957.db2.gz	NTNWKYMHULZCRK-ZDUSSCGKSA-N	-1	0	446.456	1.101	50	0		IDAARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-n4cccn4)nn3)cc2)n1	ZINC000070641258	569549038	/nfs/dbraw/zinc/54/90/38/569549038.db2.gz	PVPLCFMMVAALJD-UHFFFAOYSA-N	-1	0	436.457	1.814	50	0		IDAARM
Cn1nc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c2ccccc2c1=O	ZINC000009641591	569555683	/nfs/dbraw/zinc/55/56/83/569555683.db2.gz	ASVYDFUTRSTTAQ-UHFFFAOYSA-N	-1	0	436.453	1.777	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc(F)c(F)c3)c(=O)c1=2)Nc1ccc2c(c1)OCCO2	ZINC000009675209	569559262	/nfs/dbraw/zinc/55/92/62/569559262.db2.gz	AFGXUIHMTQMHMH-MSOLQXFVSA-N	-1	0	443.366	1.668	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)Nc4ccccc4F)c=3c2=O)cc1OC	ZINC000009675581	569559340	/nfs/dbraw/zinc/55/93/40/569559340.db2.gz	XYWOEQOHBSNJDB-ZWKOTPCHSA-N	-1	0	427.392	1.775	50	0		IDAARM
CC[C@H](C)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(=O)[O-]	ZINC000009723105	569563551	/nfs/dbraw/zinc/56/35/51/569563551.db2.gz	QCAGHEZWUZTRPN-UGSOOPFHSA-N	-1	0	442.534	1.720	50	0		IDAARM
COc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1N(C)S(=O)(=O)c1ccccc1	ZINC000010435108	569582214	/nfs/dbraw/zinc/58/22/14/569582214.db2.gz	ODYWERDPXDIZOJ-UHFFFAOYSA-N	-1	0	442.515	1.663	50	0		IDAARM
CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)cc1OC	ZINC000022626946	122357020	/nfs/dbraw/zinc/35/70/20/122357020.db2.gz	BLUQLBUVPAPJAA-GOSISDBHSA-N	-1	0	447.561	1.911	50	0		IDAARM
O=C([O-])c1ccc(N2CN=c3s/c(=C4\C(=O)Nc5ccc(Cl)cc54)c(=O)n3C2)cc1	ZINC000002430037	132254363	/nfs/dbraw/zinc/25/43/63/132254363.db2.gz	HPGQNXOGYVHXSZ-NXVVXOECSA-N	-1	0	440.868	1.467	50	0		IDAARM
O=C(CC[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)N1CCN(c2ncccn2)CC1	ZINC000002966832	132259700	/nfs/dbraw/zinc/25/97/00/132259700.db2.gz	ROIBGKZTYPMROQ-MRXNPFEDSA-N	-1	0	435.513	1.273	50	0		IDAARM
CCS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C[C@@H](C(=O)[O-])O2	ZINC000006182865	132276582	/nfs/dbraw/zinc/27/65/82/132276582.db2.gz	IIUNUPAFFGKONB-KRWDZBQOSA-N	-1	0	425.484	1.830	50	0		IDAARM
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@@]1(C3)C(=O)[N-]C(=O)N(C)C1=O	ZINC000008969872	132298940	/nfs/dbraw/zinc/29/89/40/132298940.db2.gz	CSZIBGKKHPBELW-XDHUDOTRSA-N	-1	0	443.463	1.357	50	0		IDAARM
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2[C@H]1[C@]1(C3)C(=O)[N-]C(=O)N(C)C1=O	ZINC000008969870	132298974	/nfs/dbraw/zinc/29/89/74/132298974.db2.gz	CSZIBGKKHPBELW-BXKMTCNYSA-N	-1	0	443.463	1.357	50	0		IDAARM
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccsc1C(=O)[O-]	ZINC000012848161	520361976	/nfs/dbraw/zinc/36/19/76/520361976.db2.gz	ZXYNGTKXBJQQDB-UHFFFAOYSA-N	-1	0	426.472	1.867	50	0		IDAARM
COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1ccc(S(N)(=O)=O)cc1	ZINC000012508105	521799197	/nfs/dbraw/zinc/79/91/97/521799197.db2.gz	XTSCWNDMRDTLET-UHFFFAOYSA-N	-1	0	449.304	1.684	50	0		IDAARM
CC[C@@H](C)[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)[C@H]2CSCN2)CC1)C(=O)[O-]	ZINC000012887248	522372532	/nfs/dbraw/zinc/37/25/32/522372532.db2.gz	BIRWOOLCRFITRA-NXHRZFHOSA-N	-1	0	433.574	1.825	50	0	biogenic	IDAARM
CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCN(CCO)CC3)c([O-])n2n1	ZINC000022854633	522537686	/nfs/dbraw/zinc/53/76/86/522537686.db2.gz	KXRGIUDKKFNXFE-SFHVURJKSA-N	-1	0	447.561	1.775	50	0		IDAARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1	ZINC000022741124	524643755	/nfs/dbraw/zinc/64/37/55/524643755.db2.gz	HPVRZDHCWIDFPQ-IBGZPJMESA-N	-1	0	438.527	1.803	50	0		IDAARM
C[C@@H]1CN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H](C)O1	ZINC000012521239	524877466	/nfs/dbraw/zinc/87/74/66/524877466.db2.gz	BFGXWDGSPYATPS-BETUJISGSA-N	-1	0	430.486	1.906	50	0		IDAARM
COc1ccc(OC)c([C@H](c2sc3nc(C)nn3c2[O-])N2CCN(CCO)CC2)c1	ZINC000022626938	524907705	/nfs/dbraw/zinc/90/77/05/524907705.db2.gz	KKYYIUUEVPERIS-QGZVFWFLSA-N	-1	0	433.534	1.521	50	0		IDAARM
CS(=O)(=O)[N-]c1ccccc1C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1	ZINC000012735691	525226863	/nfs/dbraw/zinc/22/68/63/525226863.db2.gz	OIQLYVHEZQXYOS-UHFFFAOYSA-N	-1	0	430.530	1.891	50	0		IDAARM
CS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)c1	ZINC000012770819	525273078	/nfs/dbraw/zinc/27/30/78/525273078.db2.gz	MRMJLLPRVKPKJD-UHFFFAOYSA-N	-1	0	426.472	1.095	50	0		IDAARM
Cc1c(C(=O)N2CCCC2)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c(C)n1C	ZINC000021154065	525571363	/nfs/dbraw/zinc/57/13/63/525571363.db2.gz	USCACXXXZBJMMT-UHFFFAOYSA-N	-1	0	440.547	1.326	50	0		IDAARM
Cc1cc(=O)oc2cc(OCC(=O)NCC(=O)NCC3CCC(C(=O)[O-])CC3)ccc12	ZINC000012296497	526148892	/nfs/dbraw/zinc/14/88/92/526148892.db2.gz	MOMBTNLTSZMDFH-UHFFFAOYSA-N	-1	0	430.457	1.604	50	0		IDAARM
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2	ZINC000012235971	526304368	/nfs/dbraw/zinc/30/43/68/526304368.db2.gz	YIASKQMAFMCFPC-CQSZACIVSA-N	-1	0	427.504	1.432	50	0		IDAARM
CN1C(=O)[N-]C(=O)[C@]2(Cc3c(=O)n4ccccc4nc3N3CCc4ccccc4[C@@H]32)C1=O	ZINC000009013839	536322934	/nfs/dbraw/zinc/32/29/34/536322934.db2.gz	VTWJVPLTMXFFRO-UZUQRXQVSA-N	-1	0	429.436	1.049	50	0		IDAARM
COc1cc(OC)nc(CSCCNC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)n1	ZINC000001741702	555711797	/nfs/dbraw/zinc/71/17/97/555711797.db2.gz	ABTYOLLJNZOZLQ-UHFFFAOYSA-N	-1	0	426.520	1.724	50	0		IDAARM
CC(C)Cn1c(SCC(=O)[O-])nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000002617011	555790107	/nfs/dbraw/zinc/79/01/07/555790107.db2.gz	JWDNAYRJEVXMJT-UHFFFAOYSA-N	-1	0	440.547	1.799	50	0		IDAARM
NS(=O)(=O)c1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2)cc1	ZINC000002814891	555828483	/nfs/dbraw/zinc/82/84/83/555828483.db2.gz	VJHBWCVFAIRRGI-UHFFFAOYSA-N	-1	0	432.483	1.316	50	0		IDAARM
O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)N2CCC3(CC2)OCCO3)cc1	ZINC000002857938	555842749	/nfs/dbraw/zinc/84/27/49/555842749.db2.gz	YQNXHVRJOZBWFO-UHFFFAOYSA-N	-1	0	435.531	1.813	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2cc(N3C(=O)[C@@H](C)CS3(=O)=O)ccc2OC)cc1	ZINC000013734558	556297116	/nfs/dbraw/zinc/29/71/16/556297116.db2.gz	ZHBHFVQXWSKKAT-LBPRGKRZSA-N	-1	0	440.499	1.817	50	0		IDAARM
COc1cccc([N-]S(=O)(=O)c2cc(N3C(=O)[C@H](C)CS3(=O)=O)ccc2OC)c1	ZINC000013734443	556297236	/nfs/dbraw/zinc/29/72/36/556297236.db2.gz	NHTMUVAIPOSNFT-GFCCVEGCSA-N	-1	0	440.499	1.817	50	0		IDAARM
O=c1c(C(c2ccc(F)cc2)c2c(O)nc3n(c2=O)CCS3)c([O-])nc2n1CCS2	ZINC000013773847	556306357	/nfs/dbraw/zinc/30/63/57/556306357.db2.gz	XXOQHLWYTJDYNB-UHFFFAOYSA-N	-1	0	446.485	1.742	50	0		IDAARM
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1	ZINC000032833835	556417813	/nfs/dbraw/zinc/41/78/13/556417813.db2.gz	STCDYEDNTUCPQX-UHFFFAOYSA-N	-1	0	442.515	1.981	50	0		IDAARM
CSCC[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)N[C@@H](C(=O)[O-])C(C)C	ZINC000013592423	556530667	/nfs/dbraw/zinc/53/06/67/556530667.db2.gz	XQDAWIQTQMCMSY-GOEBONIOSA-N	-1	0	433.534	1.913	50	0		IDAARM
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2SC1	ZINC000015947214	556568156	/nfs/dbraw/zinc/56/81/56/556568156.db2.gz	CELMTIZIKITZRZ-BLLLJJGKSA-N	-1	0	444.387	1.621	50	0		IDAARM
C[C@H](C(=O)[N-]S(=O)(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1)c1ccsc1	ZINC000072310703	556576722	/nfs/dbraw/zinc/57/67/22/556576722.db2.gz	FIHCFVHPFDSJKG-AWEZNQCLSA-N	-1	0	431.580	1.850	50	0		IDAARM
O=C1CCCN1CCCNC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000016361087	556602264	/nfs/dbraw/zinc/60/22/64/556602264.db2.gz	FTBYAQAOEJAOKW-UHFFFAOYSA-N	-1	0	434.547	1.576	50	0		IDAARM
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000017095122	556658643	/nfs/dbraw/zinc/65/86/43/556658643.db2.gz	QWIJURZRRRIRDV-ZDRUMUKXSA-N	-1	0	426.804	1.338	50	0		IDAARM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(N2C(=O)CCS2(=O)=O)cc1C	ZINC000011858102	556663145	/nfs/dbraw/zinc/66/31/45/556663145.db2.gz	XXHSGVACXHSICA-UHFFFAOYSA-N	-1	0	438.483	1.649	50	0		IDAARM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c1	ZINC000011858138	556663348	/nfs/dbraw/zinc/66/33/48/556663348.db2.gz	FQHWENLIOAGMPV-UHFFFAOYSA-N	-1	0	426.472	1.571	50	0		IDAARM
COc1ccc([N-]S(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)c(OC)c1	ZINC000011858292	556663644	/nfs/dbraw/zinc/66/36/44/556663644.db2.gz	BOEOJDCDOYAEQA-UHFFFAOYSA-N	-1	0	440.499	1.880	50	0		IDAARM
COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2	ZINC000011858362	556663857	/nfs/dbraw/zinc/66/38/57/556663857.db2.gz	FUKIOJFVJTVCAV-UHFFFAOYSA-N	-1	0	440.455	1.291	50	0		IDAARM
CSCC[C@@H](NC(=O)[C@@H](NC(=O)N1CCn2c3ccccc3nc21)C(C)C)C(=O)[O-]	ZINC000013591863	556701111	/nfs/dbraw/zinc/70/11/11/556701111.db2.gz	AHZPEZSCSMRGDA-ZBFHGGJFSA-N	-1	0	433.534	1.913	50	0		IDAARM
C[C@@H]1CN(S(=O)(=O)CCNC(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)C[C@@H](C)O1	ZINC000058341900	556781839	/nfs/dbraw/zinc/78/18/39/556781839.db2.gz	KTHANRVNQAROTC-VXGBXAGGSA-N	-1	0	425.467	1.003	50	0		IDAARM
CCS(=O)(=O)Nc1ccc(N2CCN(CC(=O)NC(C)(C)C)CC2)c(C(=O)[O-])c1	ZINC000033253211	556893509	/nfs/dbraw/zinc/89/35/09/556893509.db2.gz	GVFONKAXYFLQSW-UHFFFAOYSA-N	-1	0	426.539	1.183	50	0		IDAARM
CC(C)C(=O)Nc1ccc2nc(N3CCN(CC(=O)N(C)C)CC3)cc(C(=O)[O-])c2c1	ZINC000033260677	556897330	/nfs/dbraw/zinc/89/73/30/556897330.db2.gz	SGIYXBAIENNHBU-UHFFFAOYSA-N	-1	0	427.505	1.738	50	0		IDAARM
O=C(CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000096900482	556993336	/nfs/dbraw/zinc/99/33/36/556993336.db2.gz	GHEORYNPUWJOCH-IYBDPMFKSA-N	-1	0	441.469	1.167	50	0		IDAARM
COCCn1c(=O)c2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2[n-]c1=S	ZINC000023212056	557108351	/nfs/dbraw/zinc/10/83/51/557108351.db2.gz	VHKKDNRJLVICHL-UHFFFAOYSA-N	-1	0	425.514	1.689	50	0		IDAARM
O=C([O-])C=CC(=O)N(Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O	ZINC000100076452	557240226	/nfs/dbraw/zinc/24/02/26/557240226.db2.gz	IDMQRVXGXLPBMG-WAVCKPEOSA-N	-1	0	440.383	1.856	50	0		IDAARM
O=C(Cn1[nH][n-]c2c(=O)n(-c3ccc4c(c3)OCCO4)c(=O)c1=2)Nc1cc(F)ccc1F	ZINC000101352893	557274923	/nfs/dbraw/zinc/27/49/23/557274923.db2.gz	RRFGCGIFDIMFEG-MSOLQXFVSA-N	-1	0	443.366	1.668	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(C)cc4)c=3c2=O)cc1OC	ZINC000101390238	557282914	/nfs/dbraw/zinc/28/29/14/557282914.db2.gz	OGHYYWRBRHLBDP-PMACEKPBSA-N	-1	0	437.456	1.622	50	0		IDAARM
COc1cc([C@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(C)=O)cc(OC)c1OC	ZINC000101455716	557285827	/nfs/dbraw/zinc/28/58/27/557285827.db2.gz	CIKRIZUSCCSFBC-CYBMUJFWSA-N	-1	0	448.501	1.882	50	0		IDAARM
COc1cc([C@@H]2CC(c3c([O-])n(C)c(=S)n(C)c3=O)=NN2C(C)=O)cc(OC)c1OC	ZINC000101455712	557285873	/nfs/dbraw/zinc/28/58/73/557285873.db2.gz	CIKRIZUSCCSFBC-ZDUSSCGKSA-N	-1	0	448.501	1.882	50	0		IDAARM
COc1cc([C@@H]2CC(c3c([O-])n(Cc4ccccc4)c(=O)[nH]c3=O)=NN2)cc(OC)c1O	ZINC000101762395	557297141	/nfs/dbraw/zinc/29/71/41/557297141.db2.gz	HKCKCEUHOJBPHE-AWEZNQCLSA-N	-1	0	438.440	1.452	50	0		IDAARM
COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)n(-c4ccccc4OC)c3=O)=NN2)cc1OC	ZINC000101762783	557297458	/nfs/dbraw/zinc/29/74/58/557297458.db2.gz	SACUNEWZUZJXBO-CYBMUJFWSA-N	-1	0	438.440	1.696	50	0		IDAARM
COc1ccc(C(=O)Nc2c(N)nc(SCC(=O)NC[C@@H]3CCCO3)[n-]c2=O)cc1	ZINC000012033243	557524478	/nfs/dbraw/zinc/52/44/78/557524478.db2.gz	BOFOKBSBSFVNJH-ZDUSSCGKSA-N	-1	0	433.490	1.000	50	0		IDAARM
CC(=O)Nc1ccc(NC(=O)CSc2nc(N)c(NC(=O)c3ccco3)c(=O)[n-]2)cc1	ZINC000012033618	557524716	/nfs/dbraw/zinc/52/47/16/557524716.db2.gz	XLPZKFIRLTUKJQ-UHFFFAOYSA-N	-1	0	442.457	1.887	50	0		IDAARM
COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	ZINC000002643399	562929091	/nfs/dbraw/zinc/92/90/91/562929091.db2.gz	CTCROIFUWNYKKJ-UHFFFAOYSA-N	-1	0	440.499	1.295	50	0		IDAARM
[NH3+][C@H](Cc1cc(I)c([O-])c(I)c1)C(=O)[O-]	ZINC000003875424	562939190	/nfs/dbraw/zinc/93/91/90/562939190.db2.gz	NYPYHUZRZVSYKL-SSDOTTSWSA-N	-1	0	432.983	1.556	50	0	in-vitro	IDAARM
CCCCN1C(=O)[N-]C(=O)C(=C(C)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O	ZINC000004313024	562943111	/nfs/dbraw/zinc/94/31/11/562943111.db2.gz	QTRDZROVMFGFMI-GFWHJHDHSA-N	-1	0	426.473	1.994	50	0		IDAARM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000009373621	562969696	/nfs/dbraw/zinc/96/96/96/562969696.db2.gz	RSTDEJPGGQESID-UHFFFAOYSA-N	-1	0	448.469	1.795	50	0		IDAARM
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC[C@H]2O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253614949	568644142	/nfs/dbraw/zinc/64/41/42/568644142.db2.gz	MTKNDAQYHASLID-LIFWDPPTSA-N	-1	0	448.512	1.526	50	0		IDAARM
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC[C@H]2O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O	ZINC000253614951	568644159	/nfs/dbraw/zinc/64/41/59/568644159.db2.gz	MTKNDAQYHASLID-VHLPPQMQSA-N	-1	0	448.512	1.526	50	0		IDAARM
COc1ccc([C@@H](CC(=O)NCCNC(C)=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585209	568758972	/nfs/dbraw/zinc/75/89/72/568758972.db2.gz	GHVWNTJKAOBQQI-OAHLLOKOSA-N	-1	0	448.472	1.454	50	0	biogenic	IDAARM
COc1ccc([C@H](CC(=O)N[C@H]2CCOC2=O)c2c([O-])cc(C)oc2=O)c(OC)c1OC	ZINC000263585711	568759153	/nfs/dbraw/zinc/75/91/53/568759153.db2.gz	LOHDEIJWLQIHAE-KBPBESRZSA-N	-1	0	447.440	1.633	50	0	biogenic	IDAARM
COc1ccc(-c2nn(CCC(=O)[O-])cc2C=C2C(=O)NC(=S)NC2=O)cc1OC	ZINC000025159168	568884632	/nfs/dbraw/zinc/88/46/32/568884632.db2.gz	XPEFLRDEACRDKG-UHFFFAOYSA-N	-1	0	430.442	1.797	50	0		IDAARM
CN(C)C(=O)CN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1	ZINC000064589484	568935099	/nfs/dbraw/zinc/93/50/99/568935099.db2.gz	ZTXZVEPEDFEMDU-UHFFFAOYSA-N	-1	0	428.464	1.986	50	0		IDAARM
CCCCC(=O)Nc1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)cc1C(=O)[O-]	ZINC000064589765	568935103	/nfs/dbraw/zinc/93/51/03/568935103.db2.gz	QCGNARYNLCTWKS-UHFFFAOYSA-N	-1	0	432.521	1.494	50	0		IDAARM
COCCCNC(=O)CN1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1	ZINC000064590463	568935110	/nfs/dbraw/zinc/93/51/10/568935110.db2.gz	SEGDIUSKPMZSND-UHFFFAOYSA-N	-1	0	446.548	1.788	50	0		IDAARM
COc1cccc(-c2nc3c(c(C(N)=O)n2)n(C)c(=O)n3-c2ccc3c(c2)OCO3)c1[O-]	ZINC000064965791	569001050	/nfs/dbraw/zinc/00/10/50/569001050.db2.gz	HGZJWPBUTOYRPM-UHFFFAOYSA-N	-1	0	435.396	1.328	50	0		IDAARM
COc1ccc2c(c1)c([C@H](C(=O)[O-])[N@@H+]1CCCN(c3ncccn3)CC1)cn2CC(=O)[O-]	ZINC000036366122	569087155	/nfs/dbraw/zinc/08/71/55/569087155.db2.gz	HXTTVUKECAUSFZ-HXUWFJFHSA-N	-1	0	439.472	1.863	50	0		IDAARM
CC[C@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)[O-]	ZINC000002112653	569182078	/nfs/dbraw/zinc/18/20/78/569182078.db2.gz	BTUGPQDIGOMNHI-YUNKPMOVSA-N	-1	0	430.457	1.392	50	0	biogenic	IDAARM
CC(C)[C@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-]	ZINC000002117077	569182555	/nfs/dbraw/zinc/18/25/55/569182555.db2.gz	AMHDFTNCJFDZNE-FQEVSTJZSA-N	-1	0	430.457	1.392	50	0	biogenic	IDAARM
Cc1nn(-c2ccc(C(=O)NC3CCN(S(C)(=O)=O)CC3)cc2)c(C)c1CCC(=O)[O-]	ZINC000095389802	569363409	/nfs/dbraw/zinc/36/34/09/569363409.db2.gz	IZUZFWYFYGJWKJ-UHFFFAOYSA-N	-1	0	448.545	1.660	50	0		IDAARM
O=C([O-])c1ccccc1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2Cc3ccccc3O2)CC1	ZINC000095424299	569365816	/nfs/dbraw/zinc/36/58/16/569365816.db2.gz	GEFPHXVAMUMPHI-KRWDZBQOSA-N	-1	0	444.509	1.905	50	0		IDAARM
C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C[C@H](C(=O)[O-])O1	ZINC000095991965	569378283	/nfs/dbraw/zinc/37/82/83/569378283.db2.gz	QCJBQRFKXYAYRP-AUUYWEPGSA-N	-1	0	436.530	1.277	50	0		IDAARM
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c([O-])nc2ccc(Cl)cn2c1=O	ZINC000096118104	569384369	/nfs/dbraw/zinc/38/43/69/569384369.db2.gz	FSORWFDDAMYZAQ-ZDUSSCGKSA-N	-1	0	442.859	1.939	50	0		IDAARM
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1c(O)cc(C)n(CC(=O)[O-])c1=O	ZINC000096221004	569386689	/nfs/dbraw/zinc/38/66/89/569386689.db2.gz	GYHCPLGCDVKAGC-ZDUSSCGKSA-N	-1	0	435.429	1.668	50	0	biogenic	IDAARM
CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])c21	ZINC000670417826	569409859	/nfs/dbraw/zinc/40/98/59/569409859.db2.gz	MJKMFSGCZFGEQT-ZDUSSCGKSA-N	-1	0	431.308	1.986	50	0		IDAARM
O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)[n-]c(=S)n(CCCN1CCCC1=O)c2=O	ZINC000002970725	569433395	/nfs/dbraw/zinc/43/33/95/569433395.db2.gz	VCQNVUMCEWHBHO-HNNXBMFYSA-N	-1	0	430.530	1.980	50	0		IDAARM
COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cccc(F)c4N4CCOC[C@H]43)C2=O)cc1	ZINC000230156810	569439647	/nfs/dbraw/zinc/43/96/47/569439647.db2.gz	NGBGJZGLWQIINZ-HTAPYJJXSA-N	-1	0	425.416	1.865	50	0		IDAARM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2N2CC[NH+](C)CC2)c1	ZINC000058009227	569444733	/nfs/dbraw/zinc/44/47/33/569444733.db2.gz	GRGFTYPZCVIXSW-UHFFFAOYSA-N	-1	0	435.502	1.955	50	0		IDAARM
CCOC(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1	ZINC000031819277	569458075	/nfs/dbraw/zinc/45/80/75/569458075.db2.gz	AYFGJSPDGPZFDG-LJQANCHMSA-N	-1	0	446.460	1.871	50	0		IDAARM
O=C([O-])[C@H]1CCCN1C(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1c2CCCC1	ZINC000008917758	569486084	/nfs/dbraw/zinc/48/60/84/569486084.db2.gz	MYEBSGLHYINPDK-QGZVFWFLSA-N	-1	0	428.441	1.242	50	0	biogenic	IDAARM
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-]	ZINC000008995870	569495723	/nfs/dbraw/zinc/49/57/23/569495723.db2.gz	HRWGUCQKYFQTLQ-OPRWKUAOSA-N	-1	0	433.530	1.765	50	0	biogenic	IDAARM
Cc1nonc1CN1CC[NH+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000040267364	569497420	/nfs/dbraw/zinc/49/74/20/569497420.db2.gz	QJNWPSQLCRSENU-IBGZPJMESA-N	-1	0	431.424	1.500	50	0		IDAARM
CC(C)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@H]2SC1(C)C)C(=O)[O-]	ZINC000009059018	569499302	/nfs/dbraw/zinc/49/93/02/569499302.db2.gz	HRWGUCQKYFQTLQ-GCYOBHRFSA-N	-1	0	433.530	1.765	50	0	biogenic	IDAARM
O=C([O-])[C@H](CCCCN1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O)N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O	ZINC000009065037	569499608	/nfs/dbraw/zinc/49/96/08/569499608.db2.gz	QVQQYVHBVKGSMN-VAUCNFGQSA-N	-1	0	438.480	1.224	50	0		IDAARM
O=C([O-])CCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4[C@@H]3Sc3[nH]c(=O)sc3[C@@H]4c3ccco3)[C@@H]2C1=O	ZINC000245235264	569500432	/nfs/dbraw/zinc/50/04/32/569500432.db2.gz	IOYLOAKNPVOCST-MTUFNJOKSA-N	-1	0	446.506	1.977	50	0		IDAARM
C[C@H](NC(=O)c1nc2n(n1)-c1ccccc1S(=O)(=O)[N-]2)c1ccc2c(c1)NC(=O)CO2	ZINC000069459619	569506594	/nfs/dbraw/zinc/50/65/94/569506594.db2.gz	UHPITGYTORXRME-JTQLQIEISA-N	-1	0	440.441	1.203	50	0		IDAARM
O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1	ZINC000069949224	569525177	/nfs/dbraw/zinc/52/51/77/569525177.db2.gz	VMJXNYSEDCIYCP-UHFFFAOYSA-N	-1	0	434.456	1.563	50	0		IDAARM
Cc1c(C(=O)[O-])sc2c1c(=O)n(Cc1ccccc1)c(=O)n2CCN1CCOCC1	ZINC000009410495	569531360	/nfs/dbraw/zinc/53/13/60/569531360.db2.gz	DLCAHOMTTPYETD-UHFFFAOYSA-N	-1	0	429.498	1.612	50	0		IDAARM
Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2C(C)C)[n-]c1=O	ZINC000009427207	569533305	/nfs/dbraw/zinc/53/33/05/569533305.db2.gz	WABABUGVUPEUST-QGZVFWFLSA-N	-1	0	437.547	1.081	50	0		IDAARM
C[C@@H](Oc1ccccc1C(=O)[O-])C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	ZINC000009544827	569546033	/nfs/dbraw/zinc/54/60/33/569546033.db2.gz	XQLAZPCHWFDADG-CQSZACIVSA-N	-1	0	434.470	1.812	50	0		IDAARM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000009630414	569553642	/nfs/dbraw/zinc/55/36/42/569553642.db2.gz	PPBWNUMXJMEBBS-UHFFFAOYSA-N	-1	0	430.479	1.656	50	0		IDAARM
Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])c(C)cc1Cl	ZINC000009644394	569556002	/nfs/dbraw/zinc/55/60/02/569556002.db2.gz	SKRRVSPYGLAHOP-BPLDGKMQSA-N	-1	0	430.910	1.156	50	0		IDAARM
COc1cc(NC(=O)Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc(OC)c1	ZINC000009674863	569559227	/nfs/dbraw/zinc/55/92/27/569559227.db2.gz	YRIQNYYRZFVXLA-MSOLQXFVSA-N	-1	0	427.392	1.775	50	0		IDAARM
COc1ccc(-n2c(=O)c3[n-][nH]n(CC(=O)NCc4ccc(C)cc4)c=3c2=O)cc1OC	ZINC000009675729	569559343	/nfs/dbraw/zinc/55/93/43/569559343.db2.gz	OGHYYWRBRHLBDP-WOJBJXKFSA-N	-1	0	437.456	1.622	50	0		IDAARM
Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C(=O)N4CCOCC4)n3)ccc2C)nc1	ZINC000065318994	569584224	/nfs/dbraw/zinc/58/42/24/569584224.db2.gz	DJFLSPLVWVGJNF-UHFFFAOYSA-N	-1	0	443.485	2.022	50	0		IDAARM
CCNS(=O)(=O)c1cc(/C=C\C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)ccc1OC	ZINC000221910069	939043047	/nfs/dbraw/zinc/04/30/47/939043047.db2.gz	JNUSKEGSFJMIKN-LUAWRHEFSA-N	-1	0	444.509	1.745	50	0		IDAARM