smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@H]1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC=O	ZINC000001529302	290678642	/nfs/dbraw/zinc/67/86/42/290678642.db2.gz	CSKKDSFETGLMSB-DAPNGDDTSA-N	0	0	388.369	-1.777	40	0	biogenic,in-vitro	GAABRN
Nc1nc2c(nc(OCc3ccccc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000001580806	570585251	/nfs/dbraw/zinc/58/52/51/570585251.db2.gz	RNSGUQLXDMZREX-AYIJCJCZSA-N	0	0	389.368	-1.108	40	0		GAABRN
CC(=O)N[C@@H]1C(O)[C@H](NC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O	ZINC000001583310	212250879	/nfs/dbraw/zinc/25/08/79/212250879.db2.gz	KQAGNQWUZPAEIG-QEPWDTGDSA-N	0	0	388.373	-1.835	40	0		GAABRN
CC(=O)O[C@@H](CO)C(NC(=O)N1C(=O)C=CC1=O)NC(=O)N1C(=O)C=CC1=O	ZINC000001703873	206389689	/nfs/dbraw/zinc/38/96/89/206389689.db2.gz	JIMJYEGKQLUQQY-QMMMGPOBSA-N	0	0	394.296	-2.494	40	0		GAABRN
C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002572100	570291253	/nfs/dbraw/zinc/29/12/53/570291253.db2.gz	SIKRQBHORYFZFT-RMIALFOJSA-N	0	0	394.428	-1.139	40	0		GAABRN
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccc(C(=O)Nc2c[nH]c(=O)[nH]c2=O)c1	ZINC000003109386	220604714	/nfs/dbraw/zinc/60/47/14/220604714.db2.gz	WIHXKVWCZJZGTF-UHFFFAOYSA-N	0	0	384.308	-1.056	40	0		GAABRN
CNC(=O)c1cnn(-c2nc3c(ncn3[C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c(N)n2)c1	ZINC000003598383	570891466	/nfs/dbraw/zinc/89/14/66/570891466.db2.gz	LZPZPHGJDAGEJZ-XPXLTNGVSA-N	0	0	390.360	-2.435	40	0		GAABRN
C[C@@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](NC(=O)NC2CCCCC2)C1)C(N)=O	ZINC000003838738	220667638	/nfs/dbraw/zinc/66/76/38/220667638.db2.gz	PAZLVYJYBDDTHF-OYUDGZIASA-N	0	0	386.449	-1.776	40	0	biogenic,in-vitro	GAABRN
COc1ccc(C(=O)N[C@@H]2C=C(C(=O)N[C@H](C)C(N)=O)C[C@@H](O)[C@@H]2O)cc1	ZINC000003838766	220667627	/nfs/dbraw/zinc/66/76/27/220667627.db2.gz	CFHNETUMNFRUHO-SEWBAHNZSA-N	0	0	377.397	-1.165	40	0	biogenic,in-vitro	GAABRN
COc1ccc(C(=O)N[C@@H]2C=C(C(=O)NCCC(N)=O)C[C@@H](O)[C@@H]2O)cc1	ZINC000003838797	560190078	/nfs/dbraw/zinc/19/00/78/560190078.db2.gz	BQPLHKYKKYADGA-IIAWOOMASA-N	0	0	377.397	-1.163	40	0	biogenic,in-vitro	GAABRN
CC(C)C[C@@H](NC(=O)C1=C[C@@H](NC(=O)c2cnccn2)[C@@H](O)[C@H](O)C1)C(N)=O	ZINC000003840062	560190065	/nfs/dbraw/zinc/19/00/65/560190065.db2.gz	AVKVOAKRJPZSFS-QHSBEEBCSA-N	0	0	391.428	-1.357	40	0	biogenic,in-vitro	GAABRN
Cc1ccc(NC(=O)N[C@H]2C[C@@](O)(C(=O)N[C@H](C)C(N)=O)C[C@@H](O)[C@@H]2O)cc1	ZINC000003840168	560190079	/nfs/dbraw/zinc/19/00/79/560190079.db2.gz	HDNZXHPGJIKYQD-PWFODCCWSA-N	0	0	394.428	-1.278	40	0	biogenic,in-vitro	GAABRN
CC(C)C[C@@H](NC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H](NC(=O)c2ccco2)C1)C(N)=O	ZINC000003840171	560190071	/nfs/dbraw/zinc/19/00/71/560190071.db2.gz	HURAOGASBFGRBW-MNXLVCHVSA-N	0	0	397.428	-1.359	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=CC[C@H]12	ZINC000003882100	570352892	/nfs/dbraw/zinc/35/28/92/570352892.db2.gz	IBFYXTRXDNAPMM-FDAPFYAOSA-N	0	0	388.369	-2.229	40	0		GAABRN
COC(=O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000004082212	570615385	/nfs/dbraw/zinc/61/53/85/570615385.db2.gz	HLXRWTJXGMHOFN-AYBLCJJHSA-N	0	0	388.369	-1.943	40	0		GAABRN
COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000004082213	1076271655	/nfs/dbraw/zinc/27/16/55/1076271655.db2.gz	HLXRWTJXGMHOFN-IRPCNDQZSA-N	0	0	388.369	-1.943	40	0	biogenic	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12	ZINC000004104826	206292974	/nfs/dbraw/zinc/29/29/74/206292974.db2.gz	AMBQHHVBBHTQBF-UAXZZBSASA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12	ZINC000004104827	204028122	/nfs/dbraw/zinc/02/81/22/204028122.db2.gz	AMBQHHVBBHTQBF-DHCJNOIJSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12	ZINC000004104828	560197044	/nfs/dbraw/zinc/19/70/44/560197044.db2.gz	AMBQHHVBBHTQBF-OSEUFVQFSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
CC(=O)N[C@@H]1C=C(C(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O)C[C@@H](O)[C@@H]1O	ZINC000004200817	530174731	/nfs/dbraw/zinc/17/47/31/530174731.db2.gz	AGLWADPKQDJDAW-IRCOFANPSA-N	0	0	377.419	-3.052	40	0	biogenic,in-vitro	GAABRN
CC(=O)OC[C@H]1O[C@@H](C(N)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004204375	570363157	/nfs/dbraw/zinc/36/31/57/570363157.db2.gz	HCTJYUJESYMOGS-MBJXGIAVSA-N	0	0	375.330	-1.403	40	0		GAABRN
CC(C)C[C@H]1NC(=O)[C@@H]2C[C@@H](n3nnc(C(N)=O)c3C(N)=O)CCN2C1=O	ZINC000004221767	560197415	/nfs/dbraw/zinc/19/74/15/560197415.db2.gz	VBSRNLHDKLRWAG-AEJSXWLSSA-N	0	0	377.405	-1.448	40	0	biogenic,in-vitro	GAABRN
C[C@@H](NC(=O)C1=C[C@@H](NS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)C1)C(N)=O	ZINC000004221777	208539987	/nfs/dbraw/zinc/53/99/87/208539987.db2.gz	CDVBDLJZBASUJT-UGKPPGOTSA-N	0	0	389.455	-1.563	40	0	biogenic,in-vitro	GAABRN
NC(=O)CCNC(=O)C1=C[C@@H](NS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)C1	ZINC000004221816	530174453	/nfs/dbraw/zinc/17/44/53/530174453.db2.gz	YOEXNBZIKHLVCN-GIPNMCIBSA-N	0	0	389.455	-1.562	40	0	biogenic,in-vitro	GAABRN
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CO[C@@H]3[C@H](OCC(N)=O)CO[C@H]23)cc1	ZINC000004222756	560197569	/nfs/dbraw/zinc/19/75/69/560197569.db2.gz	PEBSWEXWCCMWCF-SJXGUFTOSA-N	0	0	399.425	-1.040	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1C[C@@H](O)[C@H]2C	ZINC000004268363	560198051	/nfs/dbraw/zinc/19/80/51/560198051.db2.gz	AMBQHHVBBHTQBF-RQPFVBNVSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@H](O)C[C@@H]12	ZINC000004268364	560198092	/nfs/dbraw/zinc/19/80/92/560198092.db2.gz	AMBQHHVBBHTQBF-ZBCSOUIKSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1C[C@H](O)[C@H]2C	ZINC000004268365	560198053	/nfs/dbraw/zinc/19/80/53/560198053.db2.gz	AMBQHHVBBHTQBF-FUVABLKESA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@@H]12	ZINC000004268368	560198080	/nfs/dbraw/zinc/19/80/80/560198080.db2.gz	AMBQHHVBBHTQBF-ZWTYCWAMSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004425887	570629358	/nfs/dbraw/zinc/62/93/58/570629358.db2.gz	GWZWJYSFWAOCJZ-OWTLIXCDSA-N	0	0	388.304	-1.000	40	0		GAABRN
CC(=O)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000004425889	570629297	/nfs/dbraw/zinc/62/92/97/570629297.db2.gz	GWZWJYSFWAOCJZ-ZJQBRPOHSA-N	0	0	388.304	-1.000	40	0		GAABRN
CC(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004425892	570629378	/nfs/dbraw/zinc/62/93/78/570629378.db2.gz	GWZWJYSFWAOCJZ-NRWUCQMLSA-N	0	0	388.304	-1.000	40	0		GAABRN
CC(=O)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000004425894	570629335	/nfs/dbraw/zinc/62/93/35/570629335.db2.gz	GWZWJYSFWAOCJZ-KZVDOYCCSA-N	0	0	388.304	-1.000	40	0		GAABRN
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000004429548	204045048	/nfs/dbraw/zinc/04/50/48/204045048.db2.gz	ZPBQWDUYRAETEB-ZSLBOAEBSA-N	0	0	376.387	-2.277	40	0		GAABRN
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000004429549	530072304	/nfs/dbraw/zinc/07/23/04/530072304.db2.gz	ZPBQWDUYRAETEB-HPCHECBXSA-N	0	0	376.387	-2.277	40	0		GAABRN
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]2O)cc1	ZINC000004429550	530072374	/nfs/dbraw/zinc/07/23/74/530072374.db2.gz	ZPBQWDUYRAETEB-MRTXSQPYSA-N	0	0	376.387	-2.277	40	0		GAABRN
CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]2O)cc1	ZINC000004429551	530072314	/nfs/dbraw/zinc/07/23/14/530072314.db2.gz	ZPBQWDUYRAETEB-QNSTZXKLSA-N	0	0	376.387	-2.277	40	0		GAABRN
O=C(Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1)c1ccccc1	ZINC000004534263	204051396	/nfs/dbraw/zinc/05/13/96/204051396.db2.gz	WZKJANWNNBJHRS-YVYGNJPRSA-N	0	0	387.352	-1.017	40	0		GAABRN
O=C(Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1)c1ccccc1	ZINC000004534264	570382278	/nfs/dbraw/zinc/38/22/78/570382278.db2.gz	WZKJANWNNBJHRS-OBOQGBEESA-N	0	0	387.352	-1.017	40	0		GAABRN
O=C(Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1)c1ccccc1	ZINC000004534265	570843833	/nfs/dbraw/zinc/84/38/33/570843833.db2.gz	WZKJANWNNBJHRS-QMABLASFSA-N	0	0	387.352	-1.017	40	0		GAABRN
O=C(Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1)c1ccccc1	ZINC000004534266	570382425	/nfs/dbraw/zinc/38/24/25/570382425.db2.gz	WZKJANWNNBJHRS-HMECCHRJSA-N	0	0	387.352	-1.017	40	0		GAABRN
CCOC(=O)[C@H]1CN(CCCN2C[C@H](C(=O)OCC)C(=O)C2=O)C(=O)C1=O	ZINC000004722988	204067871	/nfs/dbraw/zinc/06/78/71/204067871.db2.gz	IFWPNTJAGXCKEW-QWRGUYRKSA-N	0	0	382.369	-1.442	40	0		GAABRN
CCOC(=O)[C@@H]1CN(CCCN2C[C@@H](C(=O)OCC)C(=O)C2=O)C(=O)C1=O	ZINC000004722989	570897341	/nfs/dbraw/zinc/89/73/41/570897341.db2.gz	IFWPNTJAGXCKEW-GHMZBOCLSA-N	0	0	382.369	-1.442	40	0		GAABRN
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(I)n1	ZINC000004758485	530072493	/nfs/dbraw/zinc/07/24/93/530072493.db2.gz	FJCGPOOOYFDJCM-PXMDKTAGSA-N	0	0	393.141	-1.375	40	0		GAABRN
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(I)n1	ZINC000004758486	530072491	/nfs/dbraw/zinc/07/24/91/530072491.db2.gz	FJCGPOOOYFDJCM-HAVMAKPUSA-N	0	0	393.141	-1.375	40	0		GAABRN
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(I)n1	ZINC000004758487	530072285	/nfs/dbraw/zinc/07/22/85/530072285.db2.gz	FJCGPOOOYFDJCM-HFXAWCPLSA-N	0	0	393.141	-1.375	40	0		GAABRN
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(I)n1	ZINC000004758488	530072278	/nfs/dbraw/zinc/07/22/78/530072278.db2.gz	FJCGPOOOYFDJCM-FULWYAMNSA-N	0	0	393.141	-1.375	40	0		GAABRN
NC(=S)c1ncn([C@H]2O[C@@H](COC=O)[C@@H](OC=O)[C@H]2OC=O)c1NC=O	ZINC000004772063	570404675	/nfs/dbraw/zinc/40/46/75/570404675.db2.gz	DQTIIYOPXVPKDM-YTDXRRJTSA-N	0	0	386.342	-1.761	40	0		GAABRN
NC(=S)c1ncn([C@@H]2O[C@@H](COC=O)[C@@H](OC=O)[C@H]2OC=O)c1NC=O	ZINC000004772064	204074505	/nfs/dbraw/zinc/07/45/05/204074505.db2.gz	DQTIIYOPXVPKDM-OJPPFWEXSA-N	0	0	386.342	-1.761	40	0		GAABRN
NC(=S)c1ncn([C@H]2O[C@@H](COC=O)[C@@H](OC=O)[C@@H]2OC=O)c1NC=O	ZINC000004772065	570404542	/nfs/dbraw/zinc/40/45/42/570404542.db2.gz	DQTIIYOPXVPKDM-DTITTZBUSA-N	0	0	386.342	-1.761	40	0		GAABRN
NC(=S)c1ncn([C@@H]2O[C@@H](COC=O)[C@@H](OC=O)[C@@H]2OC=O)c1NC=O	ZINC000004772066	206553340	/nfs/dbraw/zinc/55/33/40/206553340.db2.gz	DQTIIYOPXVPKDM-ZLGIUQBVSA-N	0	0	386.342	-1.761	40	0		GAABRN
O=c1[nH]c2c(nc(OCc3ccccc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000004775787	570405039	/nfs/dbraw/zinc/40/50/39/570405039.db2.gz	VEPFANMEAWRAIX-NFOTXUCKSA-N	0	0	390.352	-1.397	40	0		GAABRN
O=c1[nH]c2c(nc(OCc3ccccc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000004775788	570404919	/nfs/dbraw/zinc/40/49/19/570404919.db2.gz	VEPFANMEAWRAIX-AYIJCJCZSA-N	0	0	390.352	-1.397	40	0		GAABRN
O=c1[nH]c2c(nc(OCc3ccccc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000004775789	570993085	/nfs/dbraw/zinc/99/30/85/570993085.db2.gz	VEPFANMEAWRAIX-LIBKGXAOSA-N	0	0	390.352	-1.397	40	0		GAABRN
O=c1[nH]c2c(nc(OCc3ccccc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000004775790	209121641	/nfs/dbraw/zinc/12/16/41/209121641.db2.gz	VEPFANMEAWRAIX-XDYICZGBSA-N	0	0	390.352	-1.397	40	0		GAABRN
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)[O-])[C@H]1O	ZINC000004830518	204079240	/nfs/dbraw/zinc/07/92/40/204079240.db2.gz	BISOTIWDXUTHGX-IQSYXSGOSA-N	0	0	395.376	-2.664	40	0		GAABRN
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)[O-])[C@H]1O	ZINC000004830519	204078919	/nfs/dbraw/zinc/07/89/19/204078919.db2.gz	BISOTIWDXUTHGX-UQCUPIGKSA-N	0	0	395.376	-2.664	40	0		GAABRN
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)[O-])[C@@H]1O	ZINC000004830520	570409495	/nfs/dbraw/zinc/40/94/95/570409495.db2.gz	BISOTIWDXUTHGX-ATUQFCLDSA-N	0	0	395.376	-2.664	40	0		GAABRN
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](NC(=O)[C@H]([NH3+])CCC(=O)[O-])[C@@H]1O	ZINC000004830521	570409388	/nfs/dbraw/zinc/40/93/88/570409388.db2.gz	BISOTIWDXUTHGX-ZFDYCRIMSA-N	0	0	395.376	-2.664	40	0		GAABRN
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](NC(=O)CNC(=O)OCc2ccccc2)[C@H]1O	ZINC000004900917	570416515	/nfs/dbraw/zinc/41/65/15/570416515.db2.gz	IDQIBTHJGXCMII-LNNMMNKASA-N	0	0	384.385	-1.517	40	0		GAABRN
CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](NC(=O)CNC(=O)OCc2ccccc2)[C@H]1O	ZINC000004900918	570416440	/nfs/dbraw/zinc/41/64/40/570416440.db2.gz	IDQIBTHJGXCMII-CWCFIDOXSA-N	0	0	384.385	-1.517	40	0		GAABRN
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](NC(=O)CNC(=O)OCc2ccccc2)[C@@H]1O	ZINC000004900921	220785702	/nfs/dbraw/zinc/78/57/02/220785702.db2.gz	IDQIBTHJGXCMII-AMMHQNNLSA-N	0	0	384.385	-1.517	40	0		GAABRN
CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](NC(=O)CNC(=O)OCc2ccccc2)[C@@H]1O	ZINC000004900922	204088952	/nfs/dbraw/zinc/08/89/52/204088952.db2.gz	IDQIBTHJGXCMII-BPKBQXTESA-N	0	0	384.385	-1.517	40	0		GAABRN
Nc1nc2c(nc(OCc3ccccc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000004916531	211556638	/nfs/dbraw/zinc/55/66/38/211556638.db2.gz	RNSGUQLXDMZREX-NFOTXUCKSA-N	0	0	389.368	-1.108	40	0		GAABRN
Nc1nc2c(nc(OCc3ccccc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000004916541	570364978	/nfs/dbraw/zinc/36/49/78/570364978.db2.gz	RNSGUQLXDMZREX-LIBKGXAOSA-N	0	0	389.368	-1.108	40	0		GAABRN
Nc1nc2c(nc(OCc3ccccc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000004916543	570648876	/nfs/dbraw/zinc/64/88/76/570648876.db2.gz	RNSGUQLXDMZREX-XDYICZGBSA-N	0	0	389.368	-1.108	40	0		GAABRN
O=S1(=O)CCCS(=O)(=O)C1CC1S(=O)(=O)CCCS1(=O)=O	ZINC000004963792	530072305	/nfs/dbraw/zinc/07/23/05/530072305.db2.gz	VCAKSRAHIFJXFJ-UHFFFAOYSA-N	0	0	380.487	-1.505	40	0		GAABRN
C[C@H]1O[C@@H](OC2[C@H](O)[C@H](O)C(O)[C@H](O)[C@@H]2O)[C@@H]([NH3+])C[C@H]1NC(=N)C(=O)[O-]	ZINC000004975128	560200368	/nfs/dbraw/zinc/20/03/68/560200368.db2.gz	PVTHJAPFENJVNC-FDXZUQFESA-N	0	0	379.366	-4.328	40	0	in-vitro	GAABRN
CCS[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1nc[nH]c2=S	ZINC000005004631	204102324	/nfs/dbraw/zinc/10/23/24/204102324.db2.gz	KXAKPQRPMXMMAK-ABDJVACUSA-N	0	0	376.460	-1.197	40	0		GAABRN
CCS[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1nc[nH]c2=S	ZINC000005004632	204101842	/nfs/dbraw/zinc/10/18/42/204101842.db2.gz	KXAKPQRPMXMMAK-RRDYINPDSA-N	0	0	376.460	-1.197	40	0		GAABRN
CCS[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1nc[nH]c2=S	ZINC000005004633	204102699	/nfs/dbraw/zinc/10/26/99/204102699.db2.gz	KXAKPQRPMXMMAK-OXBUZNFYSA-N	0	0	376.460	-1.197	40	0		GAABRN
CCS[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)n1cnc2c1nc[nH]c2=S	ZINC000005004634	530072297	/nfs/dbraw/zinc/07/22/97/530072297.db2.gz	KXAKPQRPMXMMAK-BUXRITGLSA-N	0	0	376.460	-1.197	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000005015104	570424007	/nfs/dbraw/zinc/42/40/07/570424007.db2.gz	HLXRWTJXGMHOFN-ONLWXPMSSA-N	0	0	388.369	-1.943	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]2[C@H]1C(=O)C[C@@H]2C	ZINC000005015106	206583612	/nfs/dbraw/zinc/58/36/12/206583612.db2.gz	HLXRWTJXGMHOFN-HXZFJMNLSA-N	0	0	388.369	-1.943	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@H]12	ZINC000005015108	204101877	/nfs/dbraw/zinc/10/18/77/204101877.db2.gz	HLXRWTJXGMHOFN-DZVAWPIVSA-N	0	0	388.369	-1.943	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@H]12	ZINC000005015109	206583807	/nfs/dbraw/zinc/58/38/07/206583807.db2.gz	HLXRWTJXGMHOFN-WBIPWSQESA-N	0	0	388.369	-1.943	40	0		GAABRN
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCCN1C(=O)c2ccccc2C1=O	ZINC000005017098	204103930	/nfs/dbraw/zinc/10/39/30/204103930.db2.gz	MDZVGYXIHPWDNV-KIBLCYBISA-N	0	0	394.380	-1.757	40	0		GAABRN
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCCN1C(=O)c2ccccc2C1=O	ZINC000005017102	220811582	/nfs/dbraw/zinc/81/15/82/220811582.db2.gz	MDZVGYXIHPWDNV-GLRLOKQVSA-N	0	0	394.380	-1.757	40	0		GAABRN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCCN1C(=O)c2ccccc2C1=O	ZINC000005017106	204103410	/nfs/dbraw/zinc/10/34/10/204103410.db2.gz	MDZVGYXIHPWDNV-AIANZEFSSA-N	0	0	394.380	-1.757	40	0		GAABRN
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1OCCN1C(=O)c2ccccc2C1=O	ZINC000005017110	220811383	/nfs/dbraw/zinc/81/13/83/220811383.db2.gz	MDZVGYXIHPWDNV-YPIIOCQESA-N	0	0	394.380	-1.757	40	0		GAABRN
CC(=O)N[C@H]1C(O)[C@H](NC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O	ZINC000005125104	204112031	/nfs/dbraw/zinc/11/20/31/204112031.db2.gz	KQAGNQWUZPAEIG-UCOZEVKMSA-N	0	0	388.373	-1.835	40	0		GAABRN
CC(=O)N[C@@H]1C(O)[C@@H](NC(C)=O)[C@H](OC(C)=O)C(OC(C)=O)[C@@H]1OC(C)=O	ZINC000005125105	209573097	/nfs/dbraw/zinc/57/30/97/209573097.db2.gz	KQAGNQWUZPAEIG-IVBPRVRPSA-N	0	0	388.373	-1.835	40	0		GAABRN
CC(=O)N[C@@H]1C(O)[C@H](NC(C)=O)[C@@H](OC(C)=O)C(OC(C)=O)[C@H]1OC(C)=O	ZINC000005125106	570430094	/nfs/dbraw/zinc/43/00/94/570430094.db2.gz	KQAGNQWUZPAEIG-FNGIGNHCSA-N	0	0	388.373	-1.835	40	0		GAABRN
CC1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000005222700	204120703	/nfs/dbraw/zinc/12/07/03/204120703.db2.gz	MLZAFEOJTFYGSN-AGSIJNCFSA-N	0	0	380.405	-1.450	40	0		GAABRN
CC1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000005222711	206600085	/nfs/dbraw/zinc/60/00/85/206600085.db2.gz	MLZAFEOJTFYGSN-CYFJXOGMSA-N	0	0	380.405	-1.450	40	0		GAABRN
CC1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000005222723	570431701	/nfs/dbraw/zinc/43/17/01/570431701.db2.gz	MLZAFEOJTFYGSN-ZMZKGCHWSA-N	0	0	380.405	-1.450	40	0		GAABRN
CC1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000005222733	570431706	/nfs/dbraw/zinc/43/17/06/570431706.db2.gz	MLZAFEOJTFYGSN-WQURNTSKSA-N	0	0	380.405	-1.450	40	0		GAABRN
CN1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000005224204	570431726	/nfs/dbraw/zinc/43/17/26/570431726.db2.gz	HDCQGHNJHFUBMS-YTDXRRJTSA-N	0	0	381.393	-2.935	40	0		GAABRN
CN1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000005224212	204120135	/nfs/dbraw/zinc/12/01/35/204120135.db2.gz	HDCQGHNJHFUBMS-OJPPFWEXSA-N	0	0	381.393	-2.935	40	0		GAABRN
CN1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000005224220	204121026	/nfs/dbraw/zinc/12/10/26/204121026.db2.gz	HDCQGHNJHFUBMS-DTITTZBUSA-N	0	0	381.393	-2.935	40	0		GAABRN
CN1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000005224227	204120653	/nfs/dbraw/zinc/12/06/53/204120653.db2.gz	HDCQGHNJHFUBMS-ZLGIUQBVSA-N	0	0	381.393	-2.935	40	0		GAABRN
O=C1C=CC(=O)N1CCOCCOCCOCCOCCN1C(=O)C=CC1=O	ZINC000005372881	204129150	/nfs/dbraw/zinc/12/91/50/204129150.db2.gz	PFLADQMTADPVBA-UHFFFAOYSA-N	0	0	396.396	-1.097	40	0		GAABRN
COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(=O)c2cccnc2)CCN1S(C)(=O)=O	ZINC000005397965	560201623	/nfs/dbraw/zinc/20/16/23/560201623.db2.gz	RDBVEFMQSIIMGK-DGCLKSJQSA-N	0	0	398.441	-1.155	40	0	biogenic,in-vitro	GAABRN
Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)N[C@@H](CO)C[S@@](=O)C[S@](C)=O	ZINC000005410764	209189963	/nfs/dbraw/zinc/18/99/63/209189963.db2.gz	ZIMCIWWBWLSQCN-SLXIMNNBSA-N	0	0	377.444	-2.053	40	0	in-vitro	GAABRN
Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)N[C@H](CO)C[S@@](=O)C[S@](C)=O	ZINC000005410767	206249450	/nfs/dbraw/zinc/24/94/50/206249450.db2.gz	ZIMCIWWBWLSQCN-SYQUJAFLSA-N	0	0	377.444	-2.053	40	0	in-vitro	GAABRN
COC(=O)c1cc(=O)n2cnc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2c1	ZINC000005492915	204136350	/nfs/dbraw/zinc/13/63/50/204136350.db2.gz	KWIHOMDLMLPIHT-FWHFQCOYSA-N	0	0	376.325	-1.558	40	0		GAABRN
COC(=O)c1cc(=O)n2cnc3c(ncn3[C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2c1	ZINC000005492917	570442179	/nfs/dbraw/zinc/44/21/79/570442179.db2.gz	KWIHOMDLMLPIHT-XRFFLINXSA-N	0	0	376.325	-1.558	40	0		GAABRN
COC(=O)c1cc(=O)n2cnc3c(ncn3[C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2c1	ZINC000005492918	570442144	/nfs/dbraw/zinc/44/21/44/570442144.db2.gz	KWIHOMDLMLPIHT-AETLKFDBSA-N	0	0	376.325	-1.558	40	0		GAABRN
COC(=O)c1cc(=O)n2cnc3c(ncn3[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2c1	ZINC000005492919	204135933	/nfs/dbraw/zinc/13/59/33/204135933.db2.gz	KWIHOMDLMLPIHT-BYDSVVRCSA-N	0	0	376.325	-1.558	40	0		GAABRN
O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)[NH2+]C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005567551	570446469	/nfs/dbraw/zinc/44/64/69/570446469.db2.gz	KIZITXJYDFCILU-ZAPJKBGESA-N	0	0	382.369	-1.740	40	0		GAABRN
O=C([O-])[C@@H](Cc1c[nH]c2ccc(O)cc12)[NH2+]C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005567552	570446323	/nfs/dbraw/zinc/44/63/23/570446323.db2.gz	KIZITXJYDFCILU-DRXUAVOGSA-N	0	0	382.369	-1.740	40	0		GAABRN
O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)[NH2+]C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005567554	204140356	/nfs/dbraw/zinc/14/03/56/204140356.db2.gz	KIZITXJYDFCILU-GHYKFQNRSA-N	0	0	382.369	-1.740	40	0		GAABRN
O=C([O-])[C@@H](Cc1c[nH]c2ccc(O)cc12)[NH2+]C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O	ZINC000005567555	570446447	/nfs/dbraw/zinc/44/64/47/570446447.db2.gz	KIZITXJYDFCILU-IETPZCKNSA-N	0	0	382.369	-1.740	40	0		GAABRN
CN(C)c1nc(O[C@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]2[C@H](O)CO)nc(N(C)C)n1	ZINC000005648764	570449834	/nfs/dbraw/zinc/44/98/34/570449834.db2.gz	AWLCDOOEMDONLZ-IYKVGLELSA-N	0	0	385.421	-1.019	40	0		GAABRN
CN(C)c1nc(O[C@@H]2[C@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@H]32)nc(N(C)C)n1	ZINC000005648768	209606931	/nfs/dbraw/zinc/60/69/31/209606931.db2.gz	AWLCDOOEMDONLZ-CSYMLDBXSA-N	0	0	385.421	-1.019	40	0		GAABRN
CN(C)c1nc(O[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]2[C@H](O)CO)nc(N(C)C)n1	ZINC000005648769	204144333	/nfs/dbraw/zinc/14/43/33/204144333.db2.gz	AWLCDOOEMDONLZ-YBXAARCKSA-N	0	0	385.421	-1.019	40	0		GAABRN
CN(C)c1nc(O[C@H]2[C@H]([C@H](O)CO)O[C@@H]3OC(C)(C)O[C@H]32)nc(N(C)C)n1	ZINC000005648771	570449879	/nfs/dbraw/zinc/44/98/79/570449879.db2.gz	AWLCDOOEMDONLZ-WTPMCQDGSA-N	0	0	385.421	-1.019	40	0		GAABRN
O=S1(=O)N[C@@H]2CC[C@H]3NS(=O)(=O)N[C@@H]4CC[C@@H](N1)N4S(=O)(=O)N23	ZINC000005662930	209608048	/nfs/dbraw/zinc/60/80/48/209608048.db2.gz	XBPOYRLUVFMFID-XAMCCFCMSA-N	0	0	388.453	-3.398	40	0	in-vitro	GAABRN
O=S1(=O)N[C@H]2CC[C@H]3NS(=O)(=O)N[C@@H]4CC[C@H](N1)N4S(=O)(=O)N23	ZINC000005662931	530072348	/nfs/dbraw/zinc/07/23/48/530072348.db2.gz	XBPOYRLUVFMFID-KVFPUHGPSA-N	0	0	388.453	-3.398	40	0	in-vitro	GAABRN
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C	ZINC000005759902	530072390	/nfs/dbraw/zinc/07/23/90/530072390.db2.gz	UNXWOPQHKJTFCJ-OFCVBJENSA-N	0	0	375.403	-2.083	40	0		GAABRN
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C	ZINC000005759904	530072465	/nfs/dbraw/zinc/07/24/65/530072465.db2.gz	UNXWOPQHKJTFCJ-HZRSUTSESA-N	0	0	375.403	-2.083	40	0		GAABRN
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C	ZINC000005759905	530072341	/nfs/dbraw/zinc/07/23/41/530072341.db2.gz	UNXWOPQHKJTFCJ-DVPNCHETSA-N	0	0	375.403	-2.083	40	0		GAABRN
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C	ZINC000005759906	204150721	/nfs/dbraw/zinc/15/07/21/204150721.db2.gz	UNXWOPQHKJTFCJ-DLOONRPBSA-N	0	0	375.403	-2.083	40	0		GAABRN
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)n1C	ZINC000005760555	204150031	/nfs/dbraw/zinc/15/00/31/204150031.db2.gz	VRAGVWXGEVYCGU-BCROTXFESA-N	0	0	396.194	-2.237	40	0		GAABRN
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Br)c(=O)n1C	ZINC000005760556	530072438	/nfs/dbraw/zinc/07/24/38/530072438.db2.gz	VRAGVWXGEVYCGU-HPBSYMDFSA-N	0	0	396.194	-2.237	40	0		GAABRN
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)n1C	ZINC000005760557	209614002	/nfs/dbraw/zinc/61/40/02/209614002.db2.gz	VRAGVWXGEVYCGU-DPWWFHJDSA-N	0	0	396.194	-2.237	40	0		GAABRN
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(Br)c(=O)n1C	ZINC000005760558	209615179	/nfs/dbraw/zinc/61/51/79/209615179.db2.gz	VRAGVWXGEVYCGU-BDYQZXKHSA-N	0	0	396.194	-2.237	40	0		GAABRN
COC(=O)[C@@H]1[C@@H]2C(=O)[C@@H]3[C@H](C(=O)OC)[C@@H](C(=O)OC)[C@H]3C(=O)[C@H]2[C@@H]1C(=O)OC	ZINC000005813223	570735800	/nfs/dbraw/zinc/73/58/00/570735800.db2.gz	ABROGWXICUPYEM-YGUHCRNKSA-N	0	0	396.348	-1.213	40	0		GAABRN
COC(=O)[C@@H]1[C@@H]2C(=O)[C@H]3[C@@H](C(=O)[C@H]2[C@@H]1C(=O)OC)[C@H](C(=O)OC)[C@H]3C(=O)OC	ZINC000005813226	570735932	/nfs/dbraw/zinc/73/59/32/570735932.db2.gz	ABROGWXICUPYEM-ALURDMBKSA-N	0	0	396.348	-1.213	40	0		GAABRN
NC(=[NH2+])NCC[C@H](NC(=O)OCCCCCn1ccc(=O)[nH]c1=O)C(=O)[O-]	ZINC000005832493	570458338	/nfs/dbraw/zinc/45/83/38/570458338.db2.gz	LGYYAQNLSUMOQN-JTQLQIEISA-N	0	0	384.393	-1.241	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@]2(C)O	ZINC000006032117	204160821	/nfs/dbraw/zinc/16/08/21/204160821.db2.gz	XBGJTRDIWPEIMG-DUMNYRKASA-N	0	0	390.385	-2.007	40	0	biogenic,in-vitro	GAABRN
CN1[C@@H]2OC3O[C@H]4[C@H](OC3O[C@H]2N(C)S1(=O)=O)N(C)S(=O)(=O)N4C	ZINC000006878845	530089912	/nfs/dbraw/zinc/08/99/12/530089912.db2.gz	WYGDRTHBFXGXAZ-XKTNFCBFSA-N	0	0	386.408	-2.719	40	0		GAABRN
C[C@@H]1O[C@@H](OC2[C@H](O)[C@H](O)C(O)[C@H](O)[C@@H]2O)[C@@H]([NH3+])C[C@H]1NC(=N)C(=O)[O-]	ZINC000008582189	221044677	/nfs/dbraw/zinc/04/46/77/221044677.db2.gz	PVTHJAPFENJVNC-KERLUFOJSA-N	0	0	379.366	-4.328	40	0	in-vitro	GAABRN
Cn1c2[nH]c(CCc3nc4c([nH]3)n(C)c(=O)n(C)c4=O)nc2c(=O)n(C)c1=O	ZINC000008612354	221047458	/nfs/dbraw/zinc/04/74/58/221047458.db2.gz	AZDQOGJHRRZXFQ-UHFFFAOYSA-N	0	0	386.372	-1.981	40	0		GAABRN
CC(c1nc2c([nH]1)n(C)c(=O)n(C)c2=O)c1nc2c([nH]1)n(C)c(=O)n(C)c2=O	ZINC000008614197	204282073	/nfs/dbraw/zinc/28/20/73/204282073.db2.gz	ASJSLIDILQUQBJ-UHFFFAOYSA-N	0	0	386.372	-1.614	40	0		GAABRN
COCCNC(=O)C[C@@H]1O[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](O)[C@H]1O	ZINC000008624588	205794828	/nfs/dbraw/zinc/79/48/28/205794828.db2.gz	NLGZKEHUTNREDI-LQKXBSAESA-N	0	0	388.442	-1.393	40	0	biogenic,in-vitro	GAABRN
COc1ccc(CNC(=O)C[C@@H]2O[C@H](CNS(C)(=O)=O)[C@@H](O)[C@H]2O)cc1	ZINC000008643431	560210658	/nfs/dbraw/zinc/21/06/58/560210658.db2.gz	RYSIQHLDIJHMFT-LQKXBSAESA-N	0	0	388.442	-1.260	40	0	biogenic,in-vitro	GAABRN
CC(=O)O[C@H](CO)C(NC(=O)N1C(=O)C=CC1=O)NC(=O)N1C(=O)C=CC1=O	ZINC000008649746	570536461	/nfs/dbraw/zinc/53/64/61/570536461.db2.gz	JIMJYEGKQLUQQY-MRVPVSSYSA-N	0	0	394.296	-2.494	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]2[C@H]1C[C@@H](O)[C@H]2C	ZINC000008681472	570724539	/nfs/dbraw/zinc/72/45/39/570724539.db2.gz	AMBQHHVBBHTQBF-ULXCGVIGSA-N	0	0	390.385	-2.151	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@H](O)C[C@@H]12	ZINC000008681473	1074861007	/nfs/dbraw/zinc/86/10/07/1074861007.db2.gz	AMBQHHVBBHTQBF-XGVQIJEXSA-N	0	0	390.385	-2.151	40	0		GAABRN
CNC(=O)c1cnn(-c2nc3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c(N)n2)c1	ZINC000011617063	209876664	/nfs/dbraw/zinc/87/66/64/209876664.db2.gz	LZPZPHGJDAGEJZ-QIPHIMSASA-N	0	0	390.360	-2.435	40	0	in-vitro	GAABRN
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1C(=S)N[C@H]2CS(=O)(=O)C[C@H]21	ZINC000012175622	206865146	/nfs/dbraw/zinc/86/51/46/206865146.db2.gz	FBKUHPAPHARZHG-JLIMGVALSA-N	0	0	397.500	-1.746	40	0		GAABRN
Nc1nc2c(nc(OCc3ccccc3)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000012318043	570805904	/nfs/dbraw/zinc/80/59/04/570805904.db2.gz	RNSGUQLXDMZREX-NYMYIZQJSA-N	0	0	389.368	-1.108	40	0		GAABRN
O=S1(=O)CCOCCOCCS(=O)(=O)NCCOCCOCCN1	ZINC000012363427	530173569	/nfs/dbraw/zinc/17/35/69/530173569.db2.gz	UEXZYFFMPLFIAI-UHFFFAOYSA-N	0	0	390.480	-2.095	40	0		GAABRN
CC1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000012407431	204405083	/nfs/dbraw/zinc/40/50/83/204405083.db2.gz	MLZAFEOJTFYGSN-GCDPNZCJSA-N	0	0	380.405	-1.450	40	0		GAABRN
CC(=O)N1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccc(CO)o3)[C@@H]2O)CC1	ZINC000012483124	560212237	/nfs/dbraw/zinc/21/22/37/560212237.db2.gz	PGMXIGXEZVZDLI-HSFUPAIVSA-N	0	0	381.429	-1.121	40	0	biogenic,in-vitro	GAABRN
CS(=O)(=O)N1CCNC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000012605035	221214334	/nfs/dbraw/zinc/21/43/34/221214334.db2.gz	BMTUJCRIPNLWAD-HUUCEWRRSA-N	0	0	393.469	-1.086	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000012871780	221239963	/nfs/dbraw/zinc/23/99/63/221239963.db2.gz	HLXRWTJXGMHOFN-OVKRQJQISA-N	0	0	388.369	-1.943	40	0	biogenic	GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12	ZINC000013407262	570754423	/nfs/dbraw/zinc/75/44/23/570754423.db2.gz	AMBQHHVBBHTQBF-BAGRVBBYSA-N	0	0	390.385	-2.151	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)[C@@H](O)C[C@H]12	ZINC000013407266	560216441	/nfs/dbraw/zinc/21/64/41/560216441.db2.gz	AMBQHHVBBHTQBF-SEOYNZOCSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)[C@@H](O)C[C@H]12	ZINC000013407270	570754439	/nfs/dbraw/zinc/75/44/39/570754439.db2.gz	AMBQHHVBBHTQBF-RPRUFVBVSA-N	0	0	390.385	-2.151	40	0		GAABRN
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CSCC[C@@H]([NH3+])C(=O)[O-])[C@H](O)[C@@H]1O	ZINC000013509082	210064595	/nfs/dbraw/zinc/06/45/95/210064595.db2.gz	ZJUKTBDSGOFHSH-NPLZWRLCSA-N	0	0	384.418	-1.437	40	0	in-vivo	GAABRN
NC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1	ZINC000013510327	570849620	/nfs/dbraw/zinc/84/96/20/570849620.db2.gz	MRCGMQJYYMLELE-UHFFFAOYSA-N	0	0	393.429	-1.336	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12	ZINC000013783742	570678037	/nfs/dbraw/zinc/67/80/37/570678037.db2.gz	AMBQHHVBBHTQBF-AQMGMDFYSA-N	0	0	390.385	-2.151	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C)CC(=O)[C@H]12	ZINC000013814978	1074824084	/nfs/dbraw/zinc/82/40/84/1074824084.db2.gz	HLXRWTJXGMHOFN-UDHWGNCTSA-N	0	0	388.369	-1.943	40	0		GAABRN
CN1CCN(C(=O)CC[C@@H]2CNC(=O)[C@@H]3C[C@H](NS(C)(=O)=O)CN32)CC1	ZINC000015708590	523871235	/nfs/dbraw/zinc/87/12/35/523871235.db2.gz	GKXRPWCDTWETFO-MJBXVCDLSA-N	0	0	387.506	-1.969	40	0	biogenic,in-vitro	GAABRN
Cn1nnnc1SC(C(=O)N1CCN(C)CC1)C(=O)N1CCN(C)CC1	ZINC000016363625	221362147	/nfs/dbraw/zinc/36/21/47/221362147.db2.gz	MUQVWSGCODYZFL-UHFFFAOYSA-N	0	0	382.494	-1.781	40	0		GAABRN
Cn1c2[nH]c(SCC(=O)NCCCN3CCOCC3)nc2c(=O)n(C)c1=O	ZINC000016363702	221361783	/nfs/dbraw/zinc/36/17/83/221361783.db2.gz	QVQXDLIFJYUQTD-UHFFFAOYSA-N	0	0	396.473	-1.109	40	0		GAABRN
NC(=O)C(Sc1nc2ccccc2nc1SC(C(N)=O)C(N)=O)C(N)=O	ZINC000016545179	210191645	/nfs/dbraw/zinc/19/16/45/210191645.db2.gz	CHUGHJVDGLDDKT-UHFFFAOYSA-N	0	0	394.438	-1.508	40	0		GAABRN
O=C(C[C@@H]([NH2+]CCCN1CCOCC1)C(=O)[O-])NCCCN1CCOCC1	ZINC000016778882	207078545	/nfs/dbraw/zinc/07/85/45/207078545.db2.gz	QNHQWDWZAWKDMP-MRXNPFEDSA-N	0	0	386.493	-1.020	40	0		GAABRN
O=C(C[C@H]([NH2+]CCCN1CCOCC1)C(=O)[O-])NCCCN1CCOCC1	ZINC000016778884	221371062	/nfs/dbraw/zinc/37/10/62/221371062.db2.gz	QNHQWDWZAWKDMP-INIZCTEOSA-N	0	0	386.493	-1.020	40	0		GAABRN
CS(=O)(=O)C(c1nc2nnc(N)n2[nH]c1=O)c1nc2nnc(N)n2[nH]c1=O	ZINC000016942985	207079782	/nfs/dbraw/zinc/07/97/82/207079782.db2.gz	GQHAKSSNKAFSKO-UHFFFAOYSA-N	0	0	394.337	-2.938	40	0		GAABRN
O=S1(=O)N[C@H]2CC[C@H]3NS(=O)(=O)N[C@@H]4CC[C@@H](N1)N4S(=O)(=O)N23	ZINC000017124436	530072865	/nfs/dbraw/zinc/07/28/65/530072865.db2.gz	XBPOYRLUVFMFID-DKXJUACHSA-N	0	0	388.453	-3.398	40	0	in-vitro	GAABRN
O=CN1CCN(c2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC000017208752	1074757858	/nfs/dbraw/zinc/75/78/58/1074757858.db2.gz	ZVKIXNVZKYYSCC-GCDPNZCJSA-N	0	0	380.361	-2.991	40	0		GAABRN
CCOC(=O)[C@@H]1CN(CCCN2C[C@H](C(=O)OCC)C(=O)C2=O)C(=O)C1=O	ZINC000017314091	204610473	/nfs/dbraw/zinc/61/04/73/204610473.db2.gz	IFWPNTJAGXCKEW-PHIMTYICSA-N	0	0	382.369	-1.442	40	0		GAABRN
CN1[C@@H]2OC(C3O[C@H]4[C@H](O3)N(C)S(=O)(=O)N4C)O[C@H]2N(C)S1(=O)=O	ZINC000018097818	210213738	/nfs/dbraw/zinc/21/37/38/210213738.db2.gz	QEGUSJJJVJHYON-ODANAHCNSA-N	0	0	386.408	-2.719	40	0		GAABRN
CN1[C@@H]2OC(C3O[C@@H]4[C@H](O3)N(C)S(=O)(=O)N4C)O[C@H]2N(C)S1(=O)=O	ZINC000018206312	207095693	/nfs/dbraw/zinc/09/56/93/207095693.db2.gz	QEGUSJJJVJHYON-FWKRNZJQSA-N	0	0	386.408	-2.719	40	0		GAABRN
CN1[C@@H]2OC3O[C@@H]4[C@H](OC3O[C@H]2N(C)S1(=O)=O)N(C)S(=O)(=O)N4C	ZINC000018255490	210218773	/nfs/dbraw/zinc/21/87/73/210218773.db2.gz	WYGDRTHBFXGXAZ-RMJMHHOKSA-N	0	0	386.408	-2.719	40	0		GAABRN
O=c1[nH]cnc2c1nc(N1CCN(CCO)CC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000019142457	207104154	/nfs/dbraw/zinc/10/41/54/207104154.db2.gz	NSJDMSBFUJXXCX-XDYICZGBSA-N	0	0	396.404	-3.155	40	0		GAABRN
O=c1[nH]cnc2c1nc(N1CCN(CCO)CC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000019142461	210229244	/nfs/dbraw/zinc/22/92/44/210229244.db2.gz	NSJDMSBFUJXXCX-LIBKGXAOSA-N	0	0	396.404	-3.155	40	0		GAABRN
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=O	ZINC000019323203	527625922	/nfs/dbraw/zinc/62/59/22/527625922.db2.gz	WOPHSSJTAPPKNL-DHEWMHCZSA-N	0	0	386.489	-1.753	40	0		GAABRN
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	ZINC000019323206	210239713	/nfs/dbraw/zinc/23/97/13/210239713.db2.gz	WOPHSSJTAPPKNL-JGZDFAKSSA-N	0	0	386.489	-1.753	40	0		GAABRN
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	ZINC000019323209	210240392	/nfs/dbraw/zinc/24/03/92/210240392.db2.gz	WOPHSSJTAPPKNL-GGYGEDTJSA-N	0	0	386.489	-1.753	40	0		GAABRN
CCCC12CN3CC(CCC)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=O	ZINC000019323231	207114691	/nfs/dbraw/zinc/11/46/91/207114691.db2.gz	NVVUTFHBWBIRLZ-DHEWMHCZSA-N	0	0	386.489	-1.465	40	0		GAABRN
CCCC12CN3CC(CCC)(CN(C1)C3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	ZINC000019323234	204636586	/nfs/dbraw/zinc/63/65/86/204636586.db2.gz	NVVUTFHBWBIRLZ-JGZDFAKSSA-N	0	0	386.489	-1.465	40	0		GAABRN
CCCC12CN3CC(CCC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	ZINC000019323236	1074755501	/nfs/dbraw/zinc/75/55/01/1074755501.db2.gz	NVVUTFHBWBIRLZ-GGYGEDTJSA-N	0	0	386.489	-1.465	40	0		GAABRN
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O	ZINC000019331354	207117241	/nfs/dbraw/zinc/11/72/41/207117241.db2.gz	WOPHSSJTAPPKNL-BZTCOXBISA-N	0	0	386.489	-1.753	40	0		GAABRN
O=C(CCN1CCOCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000019655163	210278310	/nfs/dbraw/zinc/27/83/10/210278310.db2.gz	SPUUWIMBMKOEQJ-UHFFFAOYSA-N	0	0	376.479	-1.570	40	0		GAABRN
CC(C)N1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1=O	ZINC000019656208	571023341	/nfs/dbraw/zinc/02/33/41/571023341.db2.gz	KROGPJVUWYPQBC-AWEZNQCLSA-N	0	0	388.490	-1.036	40	0		GAABRN
CC(C)N1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1=O	ZINC000019656210	207145584	/nfs/dbraw/zinc/14/55/84/207145584.db2.gz	KROGPJVUWYPQBC-CQSZACIVSA-N	0	0	388.490	-1.036	40	0		GAABRN
O=c1[nH]cnc2c1nc(N1CCN(CCO)CC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000020111426	204701731	/nfs/dbraw/zinc/70/17/31/204701731.db2.gz	NSJDMSBFUJXXCX-OXUWNYNTSA-N	0	0	396.404	-3.155	40	0		GAABRN
O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)c1cccs1	ZINC000020464788	530173229	/nfs/dbraw/zinc/17/32/29/530173229.db2.gz	ZOUXJRNHOXALNV-UVLXDEKHSA-N	0	0	378.472	-1.152	40	0	biogenic,in-vitro	GAABRN
O=S(=O)(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)c1ccc(F)cc1	ZINC000020464839	575367106	/nfs/dbraw/zinc/36/71/06/575367106.db2.gz	QJYBNOAFZDNXPE-FXUDXRNXSA-N	0	0	390.433	-1.075	40	0	biogenic,in-vitro	GAABRN
CN1CCN([C@H]2[C@@H](CNS(=O)(=O)c3cccs3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465137	530173243	/nfs/dbraw/zinc/17/32/43/530173243.db2.gz	SRLSEYJDTFMBOK-PAPYEOQZSA-N	0	0	391.515	-1.237	40	0	biogenic,in-vitro	GAABRN
CN1CCN([C@H]2[C@@H](CNS(=O)(=O)c3ccccc3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465140	575367377	/nfs/dbraw/zinc/36/73/77/575367377.db2.gz	PDVDYSPOHZOMMH-LTIDMASMSA-N	0	0	385.486	-1.299	40	0	biogenic,in-vitro	GAABRN
COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccn2)CC1	ZINC000020465595	136202677	/nfs/dbraw/zinc/20/26/77/136202677.db2.gz	HJCDHDCGTMVKQC-IDCJVQTKSA-N	0	0	380.445	-1.545	40	0	biogenic,in-vitro	GAABRN
CS(=O)(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccn2)CC1	ZINC000020465616	136202693	/nfs/dbraw/zinc/20/26/93/136202693.db2.gz	GWLJGVQJVVVCID-BFJAYTPKSA-N	0	0	386.474	-1.758	40	0	biogenic,in-vitro	GAABRN
CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)NCCN2CCOCC2)[C@H](O)[C@@H]1O	ZINC000020504099	560093764	/nfs/dbraw/zinc/09/37/64/560093764.db2.gz	XDUZMCMPCPRWDP-LQKXBSAESA-N	0	0	388.465	-1.978	40	0	biogenic,in-vitro	GAABRN
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(I)n1	ZINC000021984764	221549261	/nfs/dbraw/zinc/54/92/61/221549261.db2.gz	FJCGPOOOYFDJCM-UUOKFMHZSA-N	0	0	393.141	-1.375	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(OC)=CC[C@H]12	ZINC000021992874	1076259736	/nfs/dbraw/zinc/25/97/36/1076259736.db2.gz	OLWNFQDHCGPALB-JNJWYLLMSA-N	0	0	388.369	-1.618	40	0		GAABRN
Nc1ncnc2c1nc(I)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000022009446	207244949	/nfs/dbraw/zinc/24/49/49/207244949.db2.gz	CYOIMLAHGVOKIG-UUOKFMHZSA-N	0	0	393.141	-1.375	40	0		GAABRN
COC(=O)COC(=O)[C@@H]1[C@H](C(N)=O)N(CC(=O)OC)CCN1CC(=O)OC	ZINC000022859168	204791809	/nfs/dbraw/zinc/79/18/09/204791809.db2.gz	SVZUSFFHJJEQOI-OLZOCXBDSA-N	0	0	389.361	-3.111	40	0		GAABRN
CC(=O)OC[C@@H]1OC[C@@](OC(C)=O)(N2C=N[C@H]3C(=O)NC=N[C@@H]32)[C@@H]1OC(C)=O	ZINC000024718520	570390519	/nfs/dbraw/zinc/39/05/19/570390519.db2.gz	OZQYDSPHYVRXFI-YTBGYOSVSA-N	0	0	396.356	-1.664	40	0		GAABRN
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)(N2C=N[C@H]3C(=O)NC=N[C@@H]32)[C@@H]1OC(C)=O	ZINC000024718523	207294426	/nfs/dbraw/zinc/29/44/26/207294426.db2.gz	OZQYDSPHYVRXFI-PAURTPPISA-N	0	0	396.356	-1.664	40	0		GAABRN
Nc1nnc2[nH]c(=O)c(C3(c4nn5c(N)nnc5[nH]c4=O)CCCC3=O)nn12	ZINC000025585640	570416579	/nfs/dbraw/zinc/41/65/79/570416579.db2.gz	DAJKOXDMASJMEF-UHFFFAOYSA-N	0	0	384.320	-2.858	40	0		GAABRN
Nc1nc(I)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000026504975	530072651	/nfs/dbraw/zinc/07/26/51/530072651.db2.gz	MGEBVSZZNFOIRB-FULWYAMNSA-N	0	0	393.141	-1.375	40	0		GAABRN
Nc1nc(I)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000026504979	530072634	/nfs/dbraw/zinc/07/26/34/530072634.db2.gz	MGEBVSZZNFOIRB-HFXAWCPLSA-N	0	0	393.141	-1.375	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)[C@@H](O)C[C@H]12	ZINC000028538317	206044074	/nfs/dbraw/zinc/04/40/74/206044074.db2.gz	AMBQHHVBBHTQBF-DIQZWRSRSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
CC(=O)O[C@@H]1[C@@H]2OC(=O)[C@@H](OC(C)=O)[C@@H]2O[C@@H]1n1cnc2c1[nH]c(=O)[nH]c2=O	ZINC000030835802	570624712	/nfs/dbraw/zinc/62/47/12/570624712.db2.gz	KIADEQNQSFCQGC-LGMRYKSHSA-N	0	0	394.296	-1.489	40	0		GAABRN
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@H](OC(C)=O)[C@@H]2O[C@@H]1n1cnc2c1[nH]c(=O)[nH]c2=O	ZINC000030835808	570624822	/nfs/dbraw/zinc/62/48/22/570624822.db2.gz	KIADEQNQSFCQGC-YYLDOJIMSA-N	0	0	394.296	-1.489	40	0		GAABRN
CC(=O)O[C@@H]1[C@@H]2OC(=O)[C@@H](OC(C)=O)[C@@H]2O[C@@H]1n1cnc2nc[nH]c(=O)c21	ZINC000030835828	570624733	/nfs/dbraw/zinc/62/47/33/570624733.db2.gz	LQPLXQGQINRMSB-YBRCUDMCSA-N	0	0	378.297	-1.194	40	0		GAABRN
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@H](OC(C)=O)[C@@H]2O[C@@H]1n1cnc2nc[nH]c(=O)c21	ZINC000030835832	570624762	/nfs/dbraw/zinc/62/47/62/570624762.db2.gz	LQPLXQGQINRMSB-FDKVEUBTSA-N	0	0	378.297	-1.194	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@@]2(C)O	ZINC000031156303	560090628	/nfs/dbraw/zinc/09/06/28/560090628.db2.gz	XBGJTRDIWPEIMG-AYDWLWLASA-N	0	0	390.385	-2.007	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1CC[C@@]2(C)O	ZINC000031156311	560090604	/nfs/dbraw/zinc/09/06/04/560090604.db2.gz	XBGJTRDIWPEIMG-KYMQPQHFSA-N	0	0	390.385	-2.007	40	0	biogenic,in-vitro	GAABRN
COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1OC	ZINC000031156650	560090620	/nfs/dbraw/zinc/09/06/20/560090620.db2.gz	MLOMRDQPPYHSAX-QSDFBURQSA-N	0	0	384.337	-1.011	40	0	biogenic,in-vitro	GAABRN
OCCN1CN(c2nc(N3CN(CCO)C3)nc(N3CN(CCO)C3)n2)C1	ZINC000031870777	570507287	/nfs/dbraw/zinc/50/72/87/570507287.db2.gz	YNKOUMYYWLUZJS-UHFFFAOYSA-N	0	0	381.441	-3.041	40	0		GAABRN
Nc1ncnc2c([C@@H]3O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]3O)n[nH]c21	ZINC000032138281	570510004	/nfs/dbraw/zinc/51/00/04/570510004.db2.gz	IRJBTFARPMCXJX-ZIPCMVOOSA-N	0	0	384.418	-1.368	40	0		GAABRN
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC1=C[C@@H]2OC(=O)C=C(C)[C@@H]2C=C1	ZINC000032594422	570393134	/nfs/dbraw/zinc/39/31/34/570393134.db2.gz	LLFCSUYBSLLXPO-OYXXGHGKSA-N	0	0	381.381	-1.112	40	0		GAABRN
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC1=C[C@@H]2OC(=O)C=C(C)[C@@H]2C=C1	ZINC000032594423	570393202	/nfs/dbraw/zinc/39/32/02/570393202.db2.gz	LLFCSUYBSLLXPO-HYFQUOKESA-N	0	0	381.381	-1.112	40	0		GAABRN
CC(=O)N[C@H]1[C@@H](OC2=C[C@@H]3OC(=O)C=C(C)[C@@H]3C=C2)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000032594424	570643442	/nfs/dbraw/zinc/64/34/42/570643442.db2.gz	LLFCSUYBSLLXPO-DTAIDODQSA-N	0	0	381.381	-1.112	40	0		GAABRN
CC(=O)N[C@@H]1[C@@H](OC2=C[C@@H]3OC(=O)C=C(C)[C@@H]3C=C2)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000032594425	570393189	/nfs/dbraw/zinc/39/31/89/570393189.db2.gz	LLFCSUYBSLLXPO-XAKAWXPZSA-N	0	0	381.381	-1.112	40	0		GAABRN
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@H](O)[C@@H]1O	ZINC000033821013	570529235	/nfs/dbraw/zinc/52/92/35/570529235.db2.gz	ZJUKTBDSGOFHSH-GQJVVVIPSA-N	0	0	384.418	-1.437	40	0	in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000033830308	560088892	/nfs/dbraw/zinc/08/88/92/560088892.db2.gz	HLXRWTJXGMHOFN-JCODQTAESA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@H]12	ZINC000033830310	560088900	/nfs/dbraw/zinc/08/89/00/560088900.db2.gz	HLXRWTJXGMHOFN-GSVAQQCBSA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
O=C(NCC=Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O)C(F)(F)F	ZINC000033864886	570420802	/nfs/dbraw/zinc/42/08/02/570420802.db2.gz	DMXZSDJKAIYXMV-BMFRVBCKSA-N	0	0	395.290	-2.160	40	0		GAABRN
O=c1[nH]cnc2c1nc(N1CCN(CCO)CC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000033907378	570423859	/nfs/dbraw/zinc/42/38/59/570423859.db2.gz	NSJDMSBFUJXXCX-NFOTXUCKSA-N	0	0	396.404	-3.155	40	0		GAABRN
O=c1[nH]cnc2c1nc(N1CCN(CCO)CC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000033907379	570423781	/nfs/dbraw/zinc/42/37/81/570423781.db2.gz	NSJDMSBFUJXXCX-AYIJCJCZSA-N	0	0	396.404	-3.155	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1CC[C@]2(C)O	ZINC000034166788	560087457	/nfs/dbraw/zinc/08/74/57/560087457.db2.gz	XBGJTRDIWPEIMG-SCHFUKFYSA-N	0	0	390.385	-2.007	40	0	biogenic,in-vitro	GAABRN
CC(=O)OC[C@H]1O[C@@H](n2cnc(C(N)=O)c2N)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000034595620	210659930	/nfs/dbraw/zinc/65/99/30/210659930.db2.gz	ZGVQACKXOOWCLS-SDBHATRESA-N	0	0	384.345	-1.112	40	0	in-vitro	GAABRN
CC(=O)N[C@H]1[C@@H](OC2=C[C@@H]3OC(=O)C=C(C)[C@H]3C=C2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000035052808	570347203	/nfs/dbraw/zinc/34/72/03/570347203.db2.gz	LLFCSUYBSLLXPO-VERAILODSA-N	0	0	381.381	-1.112	40	0		GAABRN
CC(=O)N[C@H]1[C@@H](OC2=C[C@H]3OC(=O)C=C(C)[C@H]3C=C2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000035052810	570347172	/nfs/dbraw/zinc/34/71/72/570347172.db2.gz	LLFCSUYBSLLXPO-PIJGTTDRSA-N	0	0	381.381	-1.112	40	0		GAABRN
CC(=O)N[C@H]1[C@@H](OC2=C[C@@H]3OC(=O)C=C(C)[C@@H]3C=C2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000035052812	570347260	/nfs/dbraw/zinc/34/72/60/570347260.db2.gz	LLFCSUYBSLLXPO-YKDSCLPVSA-N	0	0	381.381	-1.112	40	0		GAABRN
CC(=O)N[C@H]1[C@@H](OC2=C[C@H]3OC(=O)C=C(C)[C@@H]3C=C2)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000035052814	570347180	/nfs/dbraw/zinc/34/71/80/570347180.db2.gz	LLFCSUYBSLLXPO-JMTSRPSESA-N	0	0	381.381	-1.112	40	0		GAABRN
COC(=O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000035363826	570476934	/nfs/dbraw/zinc/47/69/34/570476934.db2.gz	HLXRWTJXGMHOFN-XQMANAPWSA-N	0	0	388.369	-1.943	40	0		GAABRN
COC(=O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000035363827	570476814	/nfs/dbraw/zinc/47/68/14/570476814.db2.gz	HLXRWTJXGMHOFN-OAVQORNBSA-N	0	0	388.369	-1.943	40	0		GAABRN
CC(=O)OC[C@H]1OC[C@@](OC(C)=O)(N2C=N[C@H]3C(=O)NC=N[C@@H]32)[C@H]1OC(C)=O	ZINC000035618515	570556928	/nfs/dbraw/zinc/55/69/28/570556928.db2.gz	OZQYDSPHYVRXFI-SSZWKKLZSA-N	0	0	396.356	-1.664	40	0		GAABRN
CC(=O)OC[C@@H]1OC[C@@](OC(C)=O)(N2C=N[C@H]3C(=O)NC=N[C@@H]32)[C@H]1OC(C)=O	ZINC000035618517	204994256	/nfs/dbraw/zinc/99/42/56/204994256.db2.gz	OZQYDSPHYVRXFI-QKDZRIPBSA-N	0	0	396.356	-1.664	40	0		GAABRN
C[C@H]1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)CO)C[C@H](C)O1	ZINC000035855315	570434272	/nfs/dbraw/zinc/43/42/72/570434272.db2.gz	NNOKNVFDDHLUBH-SRVKXCTJSA-N	0	0	381.433	-1.604	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]2[C@H]1C[C@H](O)[C@H]2C	ZINC000036377990	212118975	/nfs/dbraw/zinc/11/89/75/212118975.db2.gz	AMBQHHVBBHTQBF-RDWPWBIASA-N	0	0	390.385	-2.151	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@@H]12	ZINC000036377991	570648521	/nfs/dbraw/zinc/64/85/21/570648521.db2.gz	AMBQHHVBBHTQBF-LDSCCJLBSA-N	0	0	390.385	-2.151	40	0		GAABRN
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1n[nH]c(=O)c2c(N)cccc12	ZINC000036532712	570565291	/nfs/dbraw/zinc/56/52/91/570565291.db2.gz	YLCXXNRWYKEOPP-CSTFGSAOSA-N	0	0	380.357	-2.172	40	0	in-vitro	GAABRN
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@H](OC(C)=O)[C@H]2O[C@@H]1n1cnc2c1[nH]c(=O)[nH]c2=O	ZINC000036644223	519757338	/nfs/dbraw/zinc/75/73/38/519757338.db2.gz	KIADEQNQSFCQGC-UNLLLRGISA-N	0	0	394.296	-1.489	40	0		GAABRN
CC(=O)O[C@@H]1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](n3cnc4c3[nH]c(=O)[nH]c4=O)O[C@H]12	ZINC000036644224	519756851	/nfs/dbraw/zinc/75/68/51/519756851.db2.gz	KIADEQNQSFCQGC-GUQUVYQDSA-N	0	0	394.296	-1.489	40	0		GAABRN
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@H](OC(C)=O)[C@H]2O[C@@H]1n1cnc2nc[nH]c(=O)c21	ZINC000036644235	519757235	/nfs/dbraw/zinc/75/72/35/519757235.db2.gz	LQPLXQGQINRMSB-JVWRJRKNSA-N	0	0	378.297	-1.194	40	0		GAABRN
CC(=O)O[C@@H]1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](n3cnc4nc[nH]c(=O)c43)O[C@H]12	ZINC000036644236	519756758	/nfs/dbraw/zinc/75/67/58/519756758.db2.gz	LQPLXQGQINRMSB-VITBEWHZSA-N	0	0	378.297	-1.194	40	0		GAABRN
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@H](OC(C)=O)[C@H]2O[C@@H]1n1cnc2[nH]c(=O)[nH]c(=O)c21	ZINC000036644248	519757470	/nfs/dbraw/zinc/75/74/70/519757470.db2.gz	ZECWZCNFRIDGKJ-UNLLLRGISA-N	0	0	394.296	-1.489	40	0		GAABRN
CC(=O)O[C@@H]1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@@H](n3cnc4[nH]c(=O)[nH]c(=O)c43)O[C@H]12	ZINC000036644249	519756615	/nfs/dbraw/zinc/75/66/15/519756615.db2.gz	ZECWZCNFRIDGKJ-GUQUVYQDSA-N	0	0	394.296	-1.489	40	0		GAABRN
CC(=O)O[C@@H]1[C@@H]2OC(=O)[C@@H](OC(C)=O)[C@H]2O[C@@H]1n1cnc2[nH]c(=O)[nH]c(=O)c21	ZINC000036644250	519757422	/nfs/dbraw/zinc/75/74/22/519757422.db2.gz	ZECWZCNFRIDGKJ-DUYQIWHPSA-N	0	0	394.296	-1.489	40	0		GAABRN
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H](OC(C)=O)[C@@H](n3cnc4[nH]c(=O)[nH]c(=O)c43)O[C@@H]21	ZINC000036644251	519757162	/nfs/dbraw/zinc/75/71/62/519757162.db2.gz	ZECWZCNFRIDGKJ-VQAIZDJRSA-N	0	0	394.296	-1.489	40	0		GAABRN
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(I)c(=O)[nH]c1=O	ZINC000038496188	530078481	/nfs/dbraw/zinc/07/84/81/530078481.db2.gz	PLVDDNNLEWFJNQ-JXOAFFINSA-N	0	0	384.126	-1.593	40	0		GAABRN
Nc1ncnc2c1nc(NCC[NH3+])n2[C@@H]1O[C@@H]2CO[P@](=O)([O-])O[C@H]2[C@H]1O	ZINC000038580927	570580993	/nfs/dbraw/zinc/58/09/93/570580993.db2.gz	KENHRXLWWBDXBT-IOSLPCCCSA-N	0	0	387.293	-1.447	40	0		GAABRN
CC(=O)N[C@@H](C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)SN=O	ZINC000038722774	221883734	/nfs/dbraw/zinc/88/37/34/221883734.db2.gz	QNMMQEFPNFRVFP-BNVVCWPGSA-N	0	0	381.407	-2.400	40	0	in-vitro	GAABRN
CC(=O)N[C@H](C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)SN=O	ZINC000038722777	207560451	/nfs/dbraw/zinc/56/04/51/207560451.db2.gz	QNMMQEFPNFRVFP-NGJUZXDCSA-N	0	0	381.407	-2.400	40	0	in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@H]12	ZINC000039945957	291091216	/nfs/dbraw/zinc/09/12/16/291091216.db2.gz	AMBQHHVBBHTQBF-HBNMMBHZSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
Nc1nc(I)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000040455052	530073692	/nfs/dbraw/zinc/07/36/92/530073692.db2.gz	MGEBVSZZNFOIRB-PXMDKTAGSA-N	0	0	393.141	-1.375	40	0		GAABRN
Nc1nc(I)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000040455056	205065350	/nfs/dbraw/zinc/06/53/50/205065350.db2.gz	MGEBVSZZNFOIRB-HAVMAKPUSA-N	0	0	393.141	-1.375	40	0		GAABRN
Cn1nc(C(=O)N2CCN(S(C)(=O)=O)CC2)c2c1CCS(=O)(=O)C2	ZINC000041070535	208383791	/nfs/dbraw/zinc/38/37/91/208383791.db2.gz	MQNGFLFVBVLTGT-UHFFFAOYSA-N	0	0	376.460	-1.392	40	0		GAABRN
CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(I)c(N)nc1=O	ZINC000043771797	530074228	/nfs/dbraw/zinc/07/42/28/530074228.db2.gz	JQWRBXTVVLSBBM-JXOAFFINSA-N	0	0	383.142	-1.304	40	0		GAABRN
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Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@H](O)[C@@H]1O	ZINC000045789230	205097357	/nfs/dbraw/zinc/09/73/57/205097357.db2.gz	ZJUKTBDSGOFHSH-XSTWQCECSA-N	0	0	384.418	-1.437	40	0	in-vitro	GAABRN
Nc1ncnc2c1ncn2[C@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@H](O)[C@@H]1O	ZINC000045789233	205097988	/nfs/dbraw/zinc/09/79/88/205097988.db2.gz	ZJUKTBDSGOFHSH-NVKGOPFYSA-N	0	0	384.418	-1.437	40	0	in-vitro	GAABRN
CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]35[C@H](C[C@@H]12)OC(=O)[C@@H](O)[C@H]5[C@@H](C)[C@H]4O	ZINC000059364489	210924618	/nfs/dbraw/zinc/92/46/18/210924618.db2.gz	YJIBLZYQKYKXFP-BUNSZYBOSA-N	0	0	396.436	-1.071	40	0		GAABRN
CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@@]35[C@H](C[C@@H]12)OC(=O)[C@@H](O)[C@H]5[C@H](C)[C@H]4O	ZINC000059364491	222056227	/nfs/dbraw/zinc/05/62/27/222056227.db2.gz	YJIBLZYQKYKXFP-JAMGTAKKSA-N	0	0	396.436	-1.071	40	0		GAABRN
CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@]35[C@@H]([C@@H](C)[C@H]4O)[C@H](O)C(=O)O[C@H]5C[C@@H]12	ZINC000059364493	222056086	/nfs/dbraw/zinc/05/60/86/222056086.db2.gz	YJIBLZYQKYKXFP-YICKPICHSA-N	0	0	396.436	-1.071	40	0		GAABRN
CC1=C[C@H](O)[C@H](O)[C@]2(C)[C@H]3[C@@]4(O)OC[C@]35[C@@H]([C@H](C)[C@H]4O)[C@H](O)C(=O)O[C@H]5C[C@@H]12	ZINC000059364495	222055846	/nfs/dbraw/zinc/05/58/46/222055846.db2.gz	YJIBLZYQKYKXFP-UPUDGWHUSA-N	0	0	396.436	-1.071	40	0		GAABRN
COC(=O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@@H]12	ZINC000059585773	291091227	/nfs/dbraw/zinc/09/12/27/291091227.db2.gz	IBFYXTRXDNAPMM-WBBDDUJZSA-N	0	0	388.369	-2.229	40	0	biogenic,in-vitro	GAABRN
COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)c(OC)c1	ZINC000062725170	1074794414	/nfs/dbraw/zinc/79/44/14/1074794414.db2.gz	JOUTXQPHNOCSOW-CLBVLKOUSA-N	0	0	385.369	-1.196	40	0		GAABRN
COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c(OC)c1	ZINC000062725172	1074794334	/nfs/dbraw/zinc/79/43/34/1074794334.db2.gz	JOUTXQPHNOCSOW-JBXGNFEISA-N	0	0	385.369	-1.196	40	0		GAABRN
COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)c(OC)c1	ZINC000062725174	1074794343	/nfs/dbraw/zinc/79/43/43/1074794343.db2.gz	JOUTXQPHNOCSOW-GHYKFQNRSA-N	0	0	385.369	-1.196	40	0		GAABRN
COC(=O)c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2NC(C)=O)c(OC)c1	ZINC000062725175	1074794420	/nfs/dbraw/zinc/79/44/20/1074794420.db2.gz	JOUTXQPHNOCSOW-XGYYKPKNSA-N	0	0	385.369	-1.196	40	0		GAABRN
CNC(=O)c1cnn(-c2nc3c(ncn3[C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c(N)n2)c1	ZINC000065748602	222135158	/nfs/dbraw/zinc/13/51/58/222135158.db2.gz	LZPZPHGJDAGEJZ-DXPNZXDVSA-N	0	0	390.360	-2.435	40	0	in-vitro	GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)C(=O)C[C@@H]12	ZINC000067912734	560049411	/nfs/dbraw/zinc/04/94/11/560049411.db2.gz	LPOVXLVQNSEZGE-IGCTVWQBSA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1CC(=O)[C@H]2C	ZINC000067912736	222167496	/nfs/dbraw/zinc/16/74/96/222167496.db2.gz	LPOVXLVQNSEZGE-MILFQFBUSA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)C(=O)C[C@@H]12	ZINC000067912737	560049415	/nfs/dbraw/zinc/04/94/15/560049415.db2.gz	LPOVXLVQNSEZGE-OLHXVJHTSA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1CC(=O)[C@H]2C	ZINC000067912740	560049414	/nfs/dbraw/zinc/04/94/14/560049414.db2.gz	LPOVXLVQNSEZGE-LIDGZUEPSA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
Cn1c2ncn(CC(=O)NCCn3c(=O)oc4cccnc43)c2c(=O)[nH]c1=O	ZINC000072343066	222232045	/nfs/dbraw/zinc/23/20/45/222232045.db2.gz	FUFGYYQTWPDPEE-UHFFFAOYSA-N	0	0	385.340	-1.457	40	0		GAABRN
Cn1c2ncn(CC(=O)NCCn3c(=O)oc4cccnc43)c2c(=O)n(C)c1=O	ZINC000072343072	211094061	/nfs/dbraw/zinc/09/40/61/211094061.db2.gz	DMIJOMQCTXIPFP-UHFFFAOYSA-N	0	0	399.367	-1.447	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000077257455	533270624	/nfs/dbraw/zinc/27/06/24/533270624.db2.gz	HLXRWTJXGMHOFN-AXUVWIDPSA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)CC(=O)[C@H]12	ZINC000077257457	560046944	/nfs/dbraw/zinc/04/69/44/560046944.db2.gz	HLXRWTJXGMHOFN-IDEWDWLNSA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
CNC(=O)c1cnn(-c2nc3c(ncn3[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c(N)n2)c1	ZINC000090697750	570410174	/nfs/dbraw/zinc/41/01/74/570410174.db2.gz	LZPZPHGJDAGEJZ-IEQSHNCZSA-N	0	0	390.360	-2.435	40	0		GAABRN
NC(=[NH2+])NCCC[C@H](NC(=O)CNC(=O)c1ccccc1)C(=O)NCC(=O)[O-]	ZINC000095871167	571095016	/nfs/dbraw/zinc/09/50/16/571095016.db2.gz	UQGBFLOYPRKSRP-LBPRGKRZSA-N	0	0	392.416	-1.635	40	0		GAABRN
CN(C)C(=O)CN1C[C@@]23CN(Cc4cnn(C)c4)C[C@@H](C[C@@H]2S1(=O)=O)O3	ZINC000096146110	570213832	/nfs/dbraw/zinc/21/38/32/570213832.db2.gz	SJISJNYSNHNNFI-YCPHGPKFSA-N	0	0	383.474	-1.134	40	0		GAABRN
CN(C)S(=O)(=O)N1CCO[C@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]21	ZINC000096248730	205549749	/nfs/dbraw/zinc/54/97/49/205549749.db2.gz	GFLVGMRROYOMLX-MNOVXSKESA-N	0	0	379.464	-1.700	40	0		GAABRN
COC(=O)CN1N=C(C)[C@@H](C)n2c1nc1c2c(=O)n(CC(=O)OC)c(=O)n1C	ZINC000096306518	205557604	/nfs/dbraw/zinc/55/76/04/205557604.db2.gz	JEIZSCIKCWRLLB-SECBINFHSA-N	0	0	392.372	-1.000	40	0		GAABRN
COC(=O)CN1N=C(C)[C@H](C)n2c1nc1c2c(=O)n(CC(=O)OC)c(=O)n1C	ZINC000096306519	570228949	/nfs/dbraw/zinc/22/89/49/570228949.db2.gz	JEIZSCIKCWRLLB-VIFPVBQESA-N	0	0	392.372	-1.000	40	0		GAABRN
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C2=O	ZINC000101998278	570286451	/nfs/dbraw/zinc/28/64/51/570286451.db2.gz	WOPHSSJTAPPKNL-PRMOIXRASA-N	0	0	386.489	-1.753	40	0		GAABRN
CC(C)C12CN3CC(C(C)C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)C2=O	ZINC000101998280	570286374	/nfs/dbraw/zinc/28/63/74/570286374.db2.gz	WOPHSSJTAPPKNL-CHSTZMOXSA-N	0	0	386.489	-1.753	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)[C@H](O)C[C@H]12	ZINC000103214646	211616624	/nfs/dbraw/zinc/61/66/24/211616624.db2.gz	AMBQHHVBBHTQBF-JXJJGCLCSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)[C@H](O)C[C@H]12	ZINC000103214651	570294665	/nfs/dbraw/zinc/29/46/65/570294665.db2.gz	AMBQHHVBBHTQBF-XATADCHISA-N	0	0	390.385	-2.151	40	0		GAABRN
Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)N[C@@H](CO)C[S@@](=O)C[S@](C)=O	ZINC000104187562	530077710	/nfs/dbraw/zinc/07/77/10/530077710.db2.gz	ZIMCIWWBWLSQCN-YBHVISBUSA-N	0	0	377.444	-1.229	40	0		GAABRN
Cc1[nH]c(=O)[nH]c(=O)c1C=CC(=O)N[C@H](CO)C[S@@](=O)C[S@](C)=O	ZINC000104187566	530077733	/nfs/dbraw/zinc/07/77/33/530077733.db2.gz	ZIMCIWWBWLSQCN-ORGDAMOCSA-N	0	0	377.444	-1.229	40	0		GAABRN
COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000105376865	222505778	/nfs/dbraw/zinc/50/57/78/222505778.db2.gz	HLXRWTJXGMHOFN-ZQLSWLFWSA-N	0	0	388.369	-1.943	40	0	biogenic	GAABRN
CC(=O)O[C@H]1C(=O)O[C@H]2[C@@H](OC(C)=O)[C@@H](n3cnc4c3[nH]c(=O)[nH]c4=O)O[C@@H]12	ZINC000105729527	570305447	/nfs/dbraw/zinc/30/54/47/570305447.db2.gz	KIADEQNQSFCQGC-ACDNLYMZSA-N	0	0	394.296	-1.901	40	0		GAABRN
CC(=O)O[C@H]1C(=O)O[C@@H]2[C@@H](OC(C)=O)[C@@H](n3cnc4c3[nH]c(=O)[nH]c4=O)O[C@@H]12	ZINC000105729533	570305461	/nfs/dbraw/zinc/30/54/61/570305461.db2.gz	KIADEQNQSFCQGC-LQHUWPKJSA-N	0	0	394.296	-1.901	40	0		GAABRN
COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000106754598	570967329	/nfs/dbraw/zinc/96/73/29/570967329.db2.gz	HLXRWTJXGMHOFN-SPLQKRJFSA-N	0	0	388.369	-1.943	40	0	biogenic	GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)C(=O)C[C@H]12	ZINC000137972545	565199389	/nfs/dbraw/zinc/19/93/89/565199389.db2.gz	LPOVXLVQNSEZGE-UHHUUYMLSA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
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Nc1ncnc2c1nc(I)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000167857731	530084044	/nfs/dbraw/zinc/08/40/44/530084044.db2.gz	CYOIMLAHGVOKIG-FJFJXFQQSA-N	0	0	393.141	-1.375	40	0		GAABRN
Nc1ncnc2c1nc(I)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	ZINC000167857829	530083405	/nfs/dbraw/zinc/08/34/05/530083405.db2.gz	CYOIMLAHGVOKIG-GFRUICAKSA-N	0	0	393.141	-1.375	40	0		GAABRN
Nc1ncnc2c1nc(I)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	ZINC000167857942	530083424	/nfs/dbraw/zinc/08/34/24/530083424.db2.gz	CYOIMLAHGVOKIG-FTWQFJAYSA-N	0	0	393.141	-1.375	40	0		GAABRN
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]C(=O)C(F)(F)F)c(=O)[nH]1	ZINC000169748268	570473708	/nfs/dbraw/zinc/47/37/08/570473708.db2.gz	DWVVZCNIKDWTEY-DXTOWSMRSA-N	0	0	378.267	-2.001	40	0		GAABRN
Nc1nc2c(ncn2COCCOCn2cnc3c2nc(N)[nH]c3=O)c(=O)[nH]1	ZINC000206174961	1076582161	/nfs/dbraw/zinc/58/21/61/1076582161.db2.gz	QPOMYCBJDYQVEA-UHFFFAOYSA-N	0	0	388.348	-1.635	40	0		GAABRN
COC(=O)c1ccc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c(OC)c1	ZINC000216303449	1074836985	/nfs/dbraw/zinc/83/69/85/1074836985.db2.gz	JOUTXQPHNOCSOW-KSXIZUIISA-N	0	0	385.369	-1.196	40	0		GAABRN
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c(OC)c1	ZINC000216303494	1074836893	/nfs/dbraw/zinc/83/68/93/1074836893.db2.gz	JOUTXQPHNOCSOW-LBKYZSNHSA-N	0	0	385.369	-1.196	40	0		GAABRN
COC(=O)c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2NC(C)=O)c(OC)c1	ZINC000216303542	1074836922	/nfs/dbraw/zinc/83/69/22/1074836922.db2.gz	JOUTXQPHNOCSOW-NMNMXBMNSA-N	0	0	385.369	-1.196	40	0		GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H]2[C@H](C)CC(=O)[C@@H]12	ZINC000217476866	570316625	/nfs/dbraw/zinc/31/66/25/570316625.db2.gz	HLXRWTJXGMHOFN-BAWMKVEZSA-N	0	0	388.369	-1.943	40	0		GAABRN
CC(=O)O[C@H]1C(=O)O[C@@H]2[C@@H](OC(C)=O)[C@@H](n3cnc4nc[nH]c(=O)c43)O[C@@H]12	ZINC000222021658	570406054	/nfs/dbraw/zinc/40/60/54/570406054.db2.gz	LQPLXQGQINRMSB-QDWKJQELSA-N	0	0	378.297	-1.194	40	0		GAABRN
CC(=O)O[C@H]1C(=O)O[C@H]2[C@@H](OC(C)=O)[C@@H](n3cnc4nc[nH]c(=O)c43)O[C@@H]12	ZINC000222021716	570405971	/nfs/dbraw/zinc/40/59/71/570405971.db2.gz	LQPLXQGQINRMSB-GIBVNIFISA-N	0	0	378.297	-1.194	40	0		GAABRN
O=C1CCCN1CCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(C3COC3)C2)C1=O	ZINC000225395025	206046387	/nfs/dbraw/zinc/04/63/87/206046387.db2.gz	RREGSFHGKUDQFE-CABCVRRESA-N	0	0	392.456	-1.744	40	0	biogenic,in-vitro	GAABRN
CC(=O)N[C@@H]1C[C@H](Cn2cc(CN3CCS(=O)(=O)CC3)nn2)[C@@H](O)[C@H]1O	ZINC000225498617	560042524	/nfs/dbraw/zinc/04/25/24/560042524.db2.gz	ZBTNSISQNMLJPX-NGFQHRJXSA-N	0	0	387.462	-2.245	40	0	biogenic,in-vitro	GAABRN
COCCNC(=O)NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCOCC3)O[C@@H]2[C@@H]1O	ZINC000225511773	208957477	/nfs/dbraw/zinc/95/74/77/208957477.db2.gz	KKCYLYIWNQWYCA-HGYYMRRCSA-N	0	0	387.433	-1.533	40	0	biogenic,in-vitro	GAABRN
O=C(C[C@@H]1C[C@H]2O[C@H](CNC(=O)N3CCOCC3)[C@@H](O)[C@H]2O1)N1CCOCC1	ZINC000225514726	560042213	/nfs/dbraw/zinc/04/22/13/560042213.db2.gz	NWMVUOGNPJWYIH-SZVRAQGESA-N	0	0	399.444	-1.437	40	0	biogenic,in-vitro	GAABRN
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)N3CCOCC3)[C@@H](O)[C@H]2O1	ZINC000225516275	560042204	/nfs/dbraw/zinc/04/22/04/560042204.db2.gz	MNEDMUMOCMFSGZ-HGYYMRRCSA-N	0	0	387.433	-1.533	40	0	biogenic,in-vitro	GAABRN
COCCNC(=O)C[C@@H]1C[C@H]2O[C@H](CNC(=O)NCCOC)[C@@H](O)[C@H]2O1	ZINC000225516476	206053246	/nfs/dbraw/zinc/05/32/46/206053246.db2.gz	SSLXDPKAXRHQBB-PRSHDEELSA-N	0	0	375.422	-1.630	40	0	biogenic,in-vitro	GAABRN
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000225701292	530173921	/nfs/dbraw/zinc/17/39/21/530173921.db2.gz	FBKUHPAPHARZHG-IMSYWVGJSA-N	0	0	397.500	-1.746	40	0		GAABRN
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000225701317	530173847	/nfs/dbraw/zinc/17/38/47/530173847.db2.gz	FBKUHPAPHARZHG-KATARQTJSA-N	0	0	397.500	-1.746	40	0		GAABRN
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000225701345	530173974	/nfs/dbraw/zinc/17/39/74/530173974.db2.gz	FBKUHPAPHARZHG-DOLQZWNJSA-N	0	0	397.500	-1.746	40	0		GAABRN
CCOC(=O)N[C@H]1CS(=O)(=O)C[C@H]1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000225701378	530174009	/nfs/dbraw/zinc/17/40/09/530174009.db2.gz	FBKUHPAPHARZHG-XFWSIPNHSA-N	0	0	397.500	-1.746	40	0		GAABRN
CC(=O)OC[C@@H]1OC[C@](OC(C)=O)(N2C=N[C@@H]3C(=O)NC=N[C@H]32)[C@H]1OC(C)=O	ZINC000226348841	206090754	/nfs/dbraw/zinc/09/07/54/206090754.db2.gz	OZQYDSPHYVRXFI-SMSYFYOWSA-N	0	0	396.356	-1.664	40	0		GAABRN
CC(=O)OC[C@@H]1OC[C@](OC(C)=O)(N2C=N[C@@H]3C(=O)NC=N[C@@H]32)[C@H]1OC(C)=O	ZINC000226348846	1073948870	/nfs/dbraw/zinc/94/88/70/1073948870.db2.gz	OZQYDSPHYVRXFI-GRYWWWGRSA-N	0	0	396.356	-1.664	40	0		GAABRN
CC(=O)N[C@@H]1[C@H](OCCN2C(=O)c3ccccc3C2=O)O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000245241651	570742305	/nfs/dbraw/zinc/74/23/05/570742305.db2.gz	MDZVGYXIHPWDNV-FQRJBHLQSA-N	0	0	394.380	-1.757	40	0		GAABRN
CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCCN1C(=O)c2ccccc2C1=O	ZINC000245241652	570742494	/nfs/dbraw/zinc/74/24/94/570742494.db2.gz	MDZVGYXIHPWDNV-KQVLKZGSSA-N	0	0	394.380	-1.757	40	0		GAABRN
CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1OCCN1C(=O)c2ccccc2C1=O	ZINC000245241653	570742445	/nfs/dbraw/zinc/74/24/45/570742445.db2.gz	MDZVGYXIHPWDNV-SUKQMUEJSA-N	0	0	394.380	-1.757	40	0		GAABRN
CC(=O)N[C@@H]1[C@H](OCCN2C(=O)c3ccccc3C2=O)O[C@H](CO)[C@H](O)[C@H]1O	ZINC000245241654	570742449	/nfs/dbraw/zinc/74/24/49/570742449.db2.gz	MDZVGYXIHPWDNV-ZFHCCXERSA-N	0	0	394.380	-1.757	40	0		GAABRN
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)[C@H](O)C[C@H]12	ZINC000253389203	560039324	/nfs/dbraw/zinc/03/93/24/560039324.db2.gz	AMBQHHVBBHTQBF-KQCYYMTHSA-N	0	0	390.385	-2.151	40	0	biogenic,in-vitro	GAABRN
COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)C(=O)C[C@H]12	ZINC000253389902	560039218	/nfs/dbraw/zinc/03/92/18/560039218.db2.gz	LPOVXLVQNSEZGE-FZSFNHNKSA-N	0	0	388.369	-1.943	40	0	biogenic,in-vitro	GAABRN
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1C(=S)N[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000253475995	530074179	/nfs/dbraw/zinc/07/41/79/530074179.db2.gz	FBKUHPAPHARZHG-JXUBOQSCSA-N	0	0	397.500	-1.746	40	0		GAABRN
CCOC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1N1C(=S)N[C@@H]2CS(=O)(=O)C[C@H]21	ZINC000253475996	530172252	/nfs/dbraw/zinc/17/22/52/530172252.db2.gz	FBKUHPAPHARZHG-KYXWUPHJSA-N	0	0	397.500	-1.746	40	0		GAABRN
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2NC(C)=O)c(OC)c1	ZINC000253476011	1074794870	/nfs/dbraw/zinc/79/48/70/1074794870.db2.gz	JOUTXQPHNOCSOW-JLHDYFKBSA-N	0	0	385.369	-1.196	40	0		GAABRN
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2NC(C)=O)c(OC)c1	ZINC000253476012	1074794862	/nfs/dbraw/zinc/79/48/62/1074794862.db2.gz	JOUTXQPHNOCSOW-LFYQSXPISA-N	0	0	385.369	-1.196	40	0		GAABRN
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)c(OC)c1	ZINC000253476013	1074794873	/nfs/dbraw/zinc/79/48/73/1074794873.db2.gz	JOUTXQPHNOCSOW-OWVAZHOYSA-N	0	0	385.369	-1.196	40	0		GAABRN
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)c(OC)c1	ZINC000253476014	570950352	/nfs/dbraw/zinc/95/03/52/570950352.db2.gz	JOUTXQPHNOCSOW-RUCLQGLUSA-N	0	0	385.369	-1.196	40	0		GAABRN
CC(=O)O[C@@H]1C(=O)O[C@H]2[C@H](OC(C)=O)[C@H](n3cnc4[nH]c(=O)[nH]c(=O)c43)O[C@@H]21	ZINC000253529602	1074691247	/nfs/dbraw/zinc/69/12/47/1074691247.db2.gz	ZECWZCNFRIDGKJ-STDGDXHASA-N	0	0	394.296	-1.076	40	0		GAABRN
CC(=O)O[C@@H]1[C@@H]2OC(=O)[C@@H](OC(C)=O)[C@H]2O[C@H]1n1cnc2[nH]c(=O)[nH]c(=O)c21	ZINC000253529603	519757249	/nfs/dbraw/zinc/75/72/49/519757249.db2.gz	ZECWZCNFRIDGKJ-WPYQSKQHSA-N	0	0	394.296	-1.076	40	0		GAABRN
O=CN1CCN(c2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1	ZINC000253579590	1074691744	/nfs/dbraw/zinc/69/17/44/1074691744.db2.gz	ZVKIXNVZKYYSCC-IDTAVKCVSA-N	0	0	380.361	-2.578	40	0		GAABRN
O=CN1CCN(c2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)CC1	ZINC000253579591	1074691713	/nfs/dbraw/zinc/69/17/13/1074691713.db2.gz	ZVKIXNVZKYYSCC-JMLLCIOISA-N	0	0	380.361	-2.578	40	0		GAABRN
O=CN1CCN(c2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)CC1	ZINC000253579592	1074691762	/nfs/dbraw/zinc/69/17/62/1074691762.db2.gz	ZVKIXNVZKYYSCC-RTOGKPCTSA-N	0	0	380.361	-2.578	40	0		GAABRN
CC1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)CC1	ZINC000253597953	570742287	/nfs/dbraw/zinc/74/22/87/570742287.db2.gz	MLZAFEOJTFYGSN-JMLLCIOISA-N	0	0	380.405	-1.038	40	0		GAABRN
CC1CCN(c2nc3c(nc(N)[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)CC1	ZINC000253597954	570742477	/nfs/dbraw/zinc/74/24/77/570742477.db2.gz	MLZAFEOJTFYGSN-RTOGKPCTSA-N	0	0	380.405	-1.038	40	0		GAABRN
NC(=O)[C@@H]1CN(C(=O)CCN2C(=O)COCC2=O)CCN1Cc1ccccc1	ZINC000257230808	212007228	/nfs/dbraw/zinc/00/72/28/212007228.db2.gz	GEALZSFZKZVQIJ-HNNXBMFYSA-N	0	0	388.424	-1.040	40	0		GAABRN
NC(=O)[C@H]1CN(C(=O)CCN2C(=O)COCC2=O)CCN1Cc1ccccc1	ZINC000257230809	206162586	/nfs/dbraw/zinc/16/25/86/206162586.db2.gz	GEALZSFZKZVQIJ-OAHLLOKOSA-N	0	0	388.424	-1.040	40	0		GAABRN
Cc1cn([C@H]2CN(C(=O)[C@@H]([NH3+])CC(=O)[O-])C[C@H](O)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257238673	570767345	/nfs/dbraw/zinc/76/73/45/570767345.db2.gz	HLZRWMHPMRINON-INLINHOESA-N	0	0	384.389	-2.055	40	0		GAABRN
Cc1cn([C@H]2CN(C(=O)CC[C@H]([NH3+])C(=O)[O-])C[C@H](O)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257240090	570767971	/nfs/dbraw/zinc/76/79/71/570767971.db2.gz	HRZVJZXWQPZDOD-QLQJRFMMSA-N	0	0	398.416	-1.665	40	0		GAABRN
Cc1cn([C@H]2CN(C(=O)CC[C@@H]([NH3+])C(=O)[O-])C[C@H](O)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257240091	570768047	/nfs/dbraw/zinc/76/80/47/570768047.db2.gz	HRZVJZXWQPZDOD-RHPZDQPFSA-N	0	0	398.416	-1.665	40	0		GAABRN
CNC(=O)[C@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCN1C	ZINC000257248283	209059122	/nfs/dbraw/zinc/05/91/22/209059122.db2.gz	JCYJNJWIPMFPCH-GFCCVEGCSA-N	0	0	380.426	-1.280	40	0		GAABRN
CNC(=O)[C@@H]1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CCN1C	ZINC000257248284	212011432	/nfs/dbraw/zinc/01/14/32/212011432.db2.gz	JCYJNJWIPMFPCH-LBPRGKRZSA-N	0	0	380.426	-1.280	40	0		GAABRN
C[C@@H](NC(=O)[C@H]1N2C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2SC1(C)C)C(N)=O	ZINC000257265365	212015045	/nfs/dbraw/zinc/01/50/45/212015045.db2.gz	LYJNEDITEJCLSC-ASLVIVTRSA-N	0	0	377.419	-3.518	40	0		GAABRN
O=C(NCCc1ccccc1)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	ZINC000257269096	570773142	/nfs/dbraw/zinc/77/31/42/570773142.db2.gz	MOOHJCVWLCRKNA-SGPHYXEKSA-N	0	0	382.438	-1.927	40	0		GAABRN
Cc1cn([C@@H]2CN(C(=O)CCN3C(=O)CCNC3=O)C[C@H]2O)c(=O)[nH]c1=O	ZINC000257270766	222768213	/nfs/dbraw/zinc/76/82/13/222768213.db2.gz	MVOXXAGOYOXKAS-GHMZBOCLSA-N	0	0	379.373	-1.666	40	0		GAABRN
CNC(=O)[C@@H]1CN(C(=O)CN2C(=O)COCC2=O)CCN1Cc1ccccc1	ZINC000257281590	570775547	/nfs/dbraw/zinc/77/55/47/570775547.db2.gz	OQALDHYXIJAOCN-HNNXBMFYSA-N	0	0	388.424	-1.169	40	0		GAABRN
CNC(=O)[C@H]1CN(C(=O)CN2C(=O)COCC2=O)CCN1Cc1ccccc1	ZINC000257281591	206171279	/nfs/dbraw/zinc/17/12/79/206171279.db2.gz	OQALDHYXIJAOCN-OAHLLOKOSA-N	0	0	388.424	-1.169	40	0		GAABRN
CC(=O)NC[C@@]1(O)COCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1	ZINC000257283493	209065901	/nfs/dbraw/zinc/06/59/01/209065901.db2.gz	OYORDDMWHMGLEC-KRWDZBQOSA-N	0	0	377.401	-1.006	40	0		GAABRN
CC(=O)NC[C@]1(O)COCCN(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1	ZINC000257283494	209066991	/nfs/dbraw/zinc/06/69/91/209066991.db2.gz	OYORDDMWHMGLEC-QGZVFWFLSA-N	0	0	377.401	-1.006	40	0		GAABRN
CS(=O)(=O)NCCNC(=O)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	ZINC000257287680	209068564	/nfs/dbraw/zinc/06/85/64/209068564.db2.gz	PRBLDJBTRIOOJA-YCEVYCCKSA-N	0	0	399.447	-4.621	40	0		GAABRN
COCC(=O)NC[C@@]1(O)COCCN(C(=O)Cc2c(C)nc(N)nc2C)C1	ZINC000257294367	209068226	/nfs/dbraw/zinc/06/82/26/209068226.db2.gz	QTUKJMJNJGIMSF-KRWDZBQOSA-N	0	0	381.433	-1.429	40	0		GAABRN
COCC(=O)NC[C@]1(O)COCCN(C(=O)Cc2c(C)nc(N)nc2C)C1	ZINC000257294368	212017902	/nfs/dbraw/zinc/01/79/02/212017902.db2.gz	QTUKJMJNJGIMSF-QGZVFWFLSA-N	0	0	381.433	-1.429	40	0		GAABRN
O=C(NCCN1CCOCC1)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	ZINC000257304530	209072396	/nfs/dbraw/zinc/07/23/96/209072396.db2.gz	SMBRSVZLTVABJZ-ANYOLZDRSA-N	0	0	391.446	-3.838	40	0		GAABRN
Cc1cn([C@H]2CN(C(=O)[C@@H]([NH3+])CCC(=O)[O-])C[C@H](O)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257306588	209072806	/nfs/dbraw/zinc/07/28/06/209072806.db2.gz	SUYOMEVZIQYZMM-QLQJRFMMSA-N	0	0	398.416	-1.665	40	0		GAABRN
COCC(=O)NC[C@@]1(O)COCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1	ZINC000257311728	212021210	/nfs/dbraw/zinc/02/12/10/212021210.db2.gz	UKTYDLKIROSVEU-AWEZNQCLSA-N	0	0	376.435	-1.459	40	0		GAABRN
COCC(=O)NC[C@]1(O)COCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1	ZINC000257311729	530093375	/nfs/dbraw/zinc/09/33/75/530093375.db2.gz	UKTYDLKIROSVEU-CQSZACIVSA-N	0	0	376.435	-1.459	40	0		GAABRN
CC(=O)N1CCN(C(=O)[C@@H]2CS[C@@H]3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N23)CC1	ZINC000257316231	570780559	/nfs/dbraw/zinc/78/05/59/570780559.db2.gz	VERWBAUHTIBGLG-ANYOLZDRSA-N	0	0	389.430	-3.596	40	0		GAABRN
CN(C(=O)CC[C@@H]([NH3+])C(=O)[O-])[C@H]1CC[C@@](O)(Cn2ccc(=O)[nH]c2=O)[C@H](O)C1	ZINC000257325875	570782045	/nfs/dbraw/zinc/78/20/45/570782045.db2.gz	WUUUWURGOPOMHV-SHFDMQKMSA-N	0	0	398.416	-1.756	40	0		GAABRN
COCC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c(=O)c3c2)C[C@H]1O	ZINC000257327620	570782337	/nfs/dbraw/zinc/78/23/37/570782337.db2.gz	XCBIMDPUNIBVFL-VXGBXAGGSA-N	0	0	398.397	-1.463	40	0		GAABRN
COCC(=O)NC[C@]1(O)COCCN(C(=O)CCc2c(C)nc(N)nc2C)C1	ZINC000257337029	212028410	/nfs/dbraw/zinc/02/84/10/212028410.db2.gz	YRBKTVVYAURSQB-GOSISDBHSA-N	0	0	395.460	-1.039	40	0		GAABRN
COCC(=O)NC[C@@]1(O)COCCN(C(=O)CCc2c(C)nc(N)nc2C)C1	ZINC000257337030	222778249	/nfs/dbraw/zinc/77/82/49/222778249.db2.gz	YRBKTVVYAURSQB-SFHVURJKSA-N	0	0	395.460	-1.039	40	0		GAABRN
CC(=O)NCC(=O)N[C@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@@H](C)CCC[NH3+]	ZINC000299754532	209081858	/nfs/dbraw/zinc/08/18/58/209081858.db2.gz	GUZSAGHLIHKDIF-CMPLNLGQSA-N	0	0	387.437	-2.168	40	0		GAABRN
CC(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@@H](C)CCC[NH3+]	ZINC000299754533	206184653	/nfs/dbraw/zinc/18/46/53/206184653.db2.gz	GUZSAGHLIHKDIF-JQWIXIFHSA-N	0	0	387.437	-2.168	40	0		GAABRN
CC(=O)NCC(=O)N[C@@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@H](C)CCC[NH3+]	ZINC000299754534	209081427	/nfs/dbraw/zinc/08/14/27/209081427.db2.gz	GUZSAGHLIHKDIF-PWSUYJOCSA-N	0	0	387.437	-2.168	40	0		GAABRN
CC(=O)NCC(=O)N[C@H](CCC(=O)[O-])C(=O)NCC(=O)N[C@H](C)CCC[NH3+]	ZINC000299754535	212031248	/nfs/dbraw/zinc/03/12/48/212031248.db2.gz	GUZSAGHLIHKDIF-ZYHUDNBSSA-N	0	0	387.437	-2.168	40	0		GAABRN
CC(=O)O[C@@]1(C)CC[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H]12	ZINC000390822296	570492904	/nfs/dbraw/zinc/49/29/04/570492904.db2.gz	BZSUBLJAJWNODC-GWKIAGMKSA-N	0	0	390.385	-1.864	40	0		GAABRN
CC(=O)O[C@@]1(C)CC[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	ZINC000390822297	570493245	/nfs/dbraw/zinc/49/32/45/570493245.db2.gz	BZSUBLJAJWNODC-XQDOSMROSA-N	0	0	390.385	-1.864	40	0		GAABRN
COCCNC(=O)CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000409004183	533000475	/nfs/dbraw/zinc/00/04/75/533000475.db2.gz	WVVIDMFXYNJEFF-UHFFFAOYSA-N	0	0	380.401	-1.092	40	0		GAABRN
COc1ccc(OC)c(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420568	530103321	/nfs/dbraw/zinc/10/33/21/530103321.db2.gz	CVCXRODLTXHENJ-NEPJUHHUSA-N	0	0	395.455	-1.155	40	0		GAABRN
COc1ccc(OC)c(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420573	530103256	/nfs/dbraw/zinc/10/32/56/530103256.db2.gz	CVCXRODLTXHENJ-NWDGAFQWSA-N	0	0	395.455	-1.155	40	0		GAABRN
COc1ccc(OC)c(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575420574	530103417	/nfs/dbraw/zinc/10/34/17/530103417.db2.gz	CVCXRODLTXHENJ-RYUDHWBXSA-N	0	0	395.455	-1.155	40	0		GAABRN
COc1ccc(OC)c(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575420575	530103427	/nfs/dbraw/zinc/10/34/27/530103427.db2.gz	CVCXRODLTXHENJ-VXGBXAGGSA-N	0	0	395.455	-1.155	40	0		GAABRN
COc1ccc(OC)c(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575424745	530103278	/nfs/dbraw/zinc/10/32/78/530103278.db2.gz	WQNNITLGHRBOGJ-NEPJUHHUSA-N	0	0	394.471	-1.270	40	0		GAABRN
COc1ccc(OC)c(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575424746	530103383	/nfs/dbraw/zinc/10/33/83/530103383.db2.gz	WQNNITLGHRBOGJ-NWDGAFQWSA-N	0	0	394.471	-1.270	40	0		GAABRN
COc1ccc(OC)c(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@@H]2O)c1	ZINC000575424747	530103158	/nfs/dbraw/zinc/10/31/58/530103158.db2.gz	WQNNITLGHRBOGJ-RYUDHWBXSA-N	0	0	394.471	-1.270	40	0		GAABRN
COc1ccc(OC)c(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@H]2O)c1	ZINC000575424748	530103299	/nfs/dbraw/zinc/10/32/99/530103299.db2.gz	WQNNITLGHRBOGJ-VXGBXAGGSA-N	0	0	394.471	-1.270	40	0		GAABRN
COc1ccc(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575426119	530103236	/nfs/dbraw/zinc/10/32/36/530103236.db2.gz	MZBRDMDMKVJSFY-NEPJUHHUSA-N	0	0	394.471	-1.270	40	0		GAABRN
COc1ccc(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575426120	530103275	/nfs/dbraw/zinc/10/32/75/530103275.db2.gz	MZBRDMDMKVJSFY-NWDGAFQWSA-N	0	0	394.471	-1.270	40	0		GAABRN
COc1ccc(S(=O)(=O)NCCN[C@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575426121	530103362	/nfs/dbraw/zinc/10/33/62/530103362.db2.gz	MZBRDMDMKVJSFY-RYUDHWBXSA-N	0	0	394.471	-1.270	40	0		GAABRN
COc1ccc(S(=O)(=O)NCCN[C@@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575426122	530103396	/nfs/dbraw/zinc/10/33/96/530103396.db2.gz	MZBRDMDMKVJSFY-VXGBXAGGSA-N	0	0	394.471	-1.270	40	0		GAABRN
COc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575426138	530103189	/nfs/dbraw/zinc/10/31/89/530103189.db2.gz	NERDWBFMMVMNGL-NEPJUHHUSA-N	0	0	395.455	-1.155	40	0		GAABRN
COc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575426139	530103209	/nfs/dbraw/zinc/10/32/09/530103209.db2.gz	NERDWBFMMVMNGL-NWDGAFQWSA-N	0	0	395.455	-1.155	40	0		GAABRN
COc1ccc(S(=O)(=O)N(CCO)[C@H]2CS(=O)(=O)C[C@@H]2O)c(OC)c1	ZINC000575426140	530103382	/nfs/dbraw/zinc/10/33/82/530103382.db2.gz	NERDWBFMMVMNGL-RYUDHWBXSA-N	0	0	395.455	-1.155	40	0		GAABRN
COc1ccc(S(=O)(=O)N(CCO)[C@@H]2CS(=O)(=O)C[C@H]2O)c(OC)c1	ZINC000575426141	530103273	/nfs/dbraw/zinc/10/32/73/530103273.db2.gz	NERDWBFMMVMNGL-VXGBXAGGSA-N	0	0	395.455	-1.155	40	0		GAABRN
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC[NH3+])[C@@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426163	530103267	/nfs/dbraw/zinc/10/32/67/530103267.db2.gz	NRVWTERJUQXGED-NEPJUHHUSA-N	0	0	392.455	-1.199	40	0		GAABRN
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC[NH3+])[C@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426164	530103290	/nfs/dbraw/zinc/10/32/90/530103290.db2.gz	NRVWTERJUQXGED-NWDGAFQWSA-N	0	0	392.455	-1.199	40	0		GAABRN
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC[NH3+])[C@H]1CS(=O)(=O)C[C@@H]1O	ZINC000575426165	530103259	/nfs/dbraw/zinc/10/32/59/530103259.db2.gz	NRVWTERJUQXGED-RYUDHWBXSA-N	0	0	392.455	-1.199	40	0		GAABRN
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC[NH3+])[C@@H]1CS(=O)(=O)C[C@H]1O	ZINC000575426166	530103146	/nfs/dbraw/zinc/10/31/46/530103146.db2.gz	NRVWTERJUQXGED-VXGBXAGGSA-N	0	0	392.455	-1.199	40	0		GAABRN
COC(=O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@@H]12	ZINC000584577870	1073875049	/nfs/dbraw/zinc/87/50/49/1073875049.db2.gz	IBFYXTRXDNAPMM-DCPBHOPZSA-N	0	0	388.369	-2.229	40	0		GAABRN
CC(=O)N1CCN(C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585291291	570259769	/nfs/dbraw/zinc/25/97/69/570259769.db2.gz	NBLKQUNMIUZXCW-SJORKVTESA-N	0	0	383.470	-1.053	40	0		GAABRN