smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC1=NC(=O)[C@H]2[C@@H](N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)[N-]1	ZINC000095607492	185015577	/nfs/dbraw/zinc/01/55/77/185015577.db2.gz	UZYDRUGLLKATSS-SLBCVNJHSA-N	-1	3	297.271	-3.493	1	0		CAAFHM
CC(C)COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])[C@@H](C)O	ZINC000096902548	185127954	/nfs/dbraw/zinc/12/79/54/185127954.db2.gz	MMZWGOHBSMLSIA-KHQFGBGNSA-N	-1	3	290.316	-1.147	1	0		CAAFHM
CCCCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])[C@@H](C)O	ZINC000096902554	185128584	/nfs/dbraw/zinc/12/85/84/185128584.db2.gz	LKALYQSHEGGNED-KHQFGBGNSA-N	-1	3	290.316	-1.003	1	0		CAAFHM
NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(=O)[O-]	ZINC000096917157	185130061	/nfs/dbraw/zinc/13/00/61/185130061.db2.gz	FFBHITQDPHRPPN-BQBZGAKWSA-N	-1	3	269.261	-2.276	1	0		CAAFHM
NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(=O)[O-]	ZINC000096917157	185130062	/nfs/dbraw/zinc/13/00/62/185130062.db2.gz	FFBHITQDPHRPPN-BQBZGAKWSA-N	-1	3	269.261	-2.276	1	0		CAAFHM
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)[O-]	ZINC000096921283	185131244	/nfs/dbraw/zinc/13/12/44/185131244.db2.gz	LVMKBISRUURZQP-IUCAKERBSA-N	-1	3	298.299	-1.198	1	0		CAAFHM
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(=O)[O-]	ZINC000096921283	185131246	/nfs/dbraw/zinc/13/12/46/185131246.db2.gz	LVMKBISRUURZQP-IUCAKERBSA-N	-1	3	298.299	-1.198	1	0		CAAFHM
NC(=O)CC[C@@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000050027624	571768502	/nfs/dbraw/zinc/76/85/02/571768502.db2.gz	JZOYFBPIEHCDFV-HTQZYQBOSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027624	571768505	/nfs/dbraw/zinc/76/85/05/571768505.db2.gz	JZOYFBPIEHCDFV-HTQZYQBOSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)c1[nH]nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1[O-]	ZINC000169329041	188658832	/nfs/dbraw/zinc/65/88/32/188658832.db2.gz	NDNYDLYERFFCMW-YHLBUKLKSA-N	-1	3	259.218	-4.150	1	0		CAAFHM
O=c1[nH]c(=O)c2n[n-]c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2o1	ZINC000005114001	170067330	/nfs/dbraw/zinc/06/73/30/170067330.db2.gz	FAIQCMQKVDJZSI-KUJIYDMHSA-N	-1	3	285.212	-2.642	1	0		CAAFHM
O=c1[n-]cnc2c1ncn2[C@H]1C=C(CO)[C@H](O)[C@@H]1O	ZINC000005605597	170118855	/nfs/dbraw/zinc/11/88/55/170118855.db2.gz	ZOGIBYIZRGKFQR-CNUIFLNQSA-N	-1	3	264.241	-1.685	1	0		CAAFHM
N[C@H](C(=O)[O-])[C@H]1C[C@@H](SC[C@H]([NH3+])C(=O)[O-])NO1	ZINC000006361516	170195016	/nfs/dbraw/zinc/19/50/16/170195016.db2.gz	YLODKYYPRFTBNK-KCDKBNATSA-N	-1	3	265.291	-1.837	1	0	in-vivo	CAAFHM
N[C@H](C(=O)[O-])[C@@H]1C[C@@H](SC[C@H]([NH3+])C(=O)[O-])NO1	ZINC000006361546	170195092	/nfs/dbraw/zinc/19/50/92/170195092.db2.gz	YLODKYYPRFTBNK-AZGQCCRYSA-N	-1	3	265.291	-1.837	1	0	in-vitro	CAAFHM
C[C@]1(C(=O)[O-])OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O1	ZINC000006415582	170199406	/nfs/dbraw/zinc/19/94/06/170199406.db2.gz	QVVFNJUJKXWFAU-BDIBXJNUSA-N	-1	3	250.203	-2.358	1	0	in-vivo	CAAFHM
O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO)[C@H](O)C2(F)F)cc1F	ZINC000006524131	170209909	/nfs/dbraw/zinc/20/99/09/170209909.db2.gz	LCGLRLKIEIEMRM-KZLJYQGOSA-N	-1	3	282.174	-1.438	1	0		CAAFHM
O=c1[n-]c(=O)n([C@H]2S[C@@H](CO)[C@H](O)[C@H]2O)cc1F	ZINC000006524124	170209933	/nfs/dbraw/zinc/20/99/33/170209933.db2.gz	FLAHATSCJQFZKB-FEEAIGFJSA-N	-1	3	278.261	-1.996	1	0		CAAFHM
O=c1[n-]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)C2(F)F)cc1F	ZINC000006523970	170209953	/nfs/dbraw/zinc/20/99/53/170209953.db2.gz	LCGLRLKIEIEMRM-VPLCAKHXSA-N	-1	3	282.174	-1.438	1	0		CAAFHM
O=c1[n-]c(=O)n([C@H]2O[C@@H](CO)[C@H](O)[C@H]2F)cc1Cl	ZINC000006524120	170210099	/nfs/dbraw/zinc/21/00/99/170210099.db2.gz	NEJVFDJYSZDPCD-GCJQMDKQSA-N	-1	3	280.639	-1.221	1	0		CAAFHM
NS(=O)(=O)c1ccccc1NC(=O)CNCC(=O)[O-]	ZINC000013472879	170554363	/nfs/dbraw/zinc/55/43/63/170554363.db2.gz	WVHGVHPTPWFFOJ-UHFFFAOYSA-N	-1	3	287.297	-1.053	1	0		CAAFHM
O=c1cc(-c2cncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nc[n-]1	ZINC000013490266	170556004	/nfs/dbraw/zinc/55/60/04/170556004.db2.gz	HWBGAHCSOWINAZ-HJQYOEGKSA-N	-1	3	294.267	-1.755	1	0		CAAFHM
CC(=O)N[C@H]1[C@H](C(=O)NCCO)OC(C(=O)[O-])=C[C@@H]1N	ZINC000013778718	170593243	/nfs/dbraw/zinc/59/32/43/170593243.db2.gz	HCUJGMBMEGUYNG-NBEYISGCSA-N	-1	3	287.272	-2.706	1	0		CAAFHM
NC(=O)c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[n-]c1=O	ZINC000045372877	175365193	/nfs/dbraw/zinc/36/51/93/175365193.db2.gz	BOFVRFUMKYMSBC-RRKCRQDMSA-N	-1	3	271.229	-2.724	1	0		CAAFHM
O=c1[n-]cnn2c1nnc2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000049016396	527623971	/nfs/dbraw/zinc/62/39/71/527623971.db2.gz	LZKDKXVFNVNOHA-KVTDHHQDSA-N	-1	3	269.217	-2.621	1	0		CAAFHM
NC(=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000166661528	574419460	/nfs/dbraw/zinc/41/94/60/574419460.db2.gz	HNXKAWFNQGNMNH-VQVTYTSYSA-N	-1	3	259.262	-2.374	1	0	endogenous,in-vitro	CAAFHM
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@@H](O)CO	ZINC000008551718	560209421	/nfs/dbraw/zinc/20/94/21/560209421.db2.gz	XKQZIXVJVUPORE-RVJQKOHUSA-N	-1	3	276.249	-3.868	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000034022547	571748505	/nfs/dbraw/zinc/74/85/05/571748505.db2.gz	CTCFZNBRZBNKAX-SFYZADRCSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000034022547	571748509	/nfs/dbraw/zinc/74/85/09/571748509.db2.gz	CTCFZNBRZBNKAX-SFYZADRCSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)C[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000033995142	571749122	/nfs/dbraw/zinc/74/91/22/571749122.db2.gz	WSDOHRLQDGAOGU-NKWVEPMBSA-N	-1	3	269.261	-2.276	1	0	endogenous,in-man	CAAFHM
NC(=O)C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000033995142	571749124	/nfs/dbraw/zinc/74/91/24/571749124.db2.gz	WSDOHRLQDGAOGU-NKWVEPMBSA-N	-1	3	269.261	-2.276	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000034361788	571751576	/nfs/dbraw/zinc/75/15/76/571751576.db2.gz	DXJZITDUDUPINW-UHNVWZDZSA-N	-1	3	260.250	-2.976	1	0	endogenous,in-man	CAAFHM
N[C@H](C[C@H](O)C(=O)N[C@@H]1OCC=C1CO)C(=O)[O-]	ZINC000014635163	571717151	/nfs/dbraw/zinc/71/71/51/571717151.db2.gz	FKPGGSOHTXQOGP-BKPPORCPSA-N	-1	3	260.246	-2.460	1	0	endogenous,in-man	CAAFHM
CSCC[C@@H](NC(=O)[C@H](N)CCC(N)=O)C(=O)[O-]	ZINC000050027609	571768403	/nfs/dbraw/zinc/76/84/03/571768403.db2.gz	SIGGQAHUPUBWNF-RNFRBKRXSA-N	-1	3	277.346	-1.098	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000050027108	571766434	/nfs/dbraw/zinc/76/64/34/571766434.db2.gz	WRPDZHJNLYNFFT-APQOSEDMSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
C[C@H](O)[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027108	571766438	/nfs/dbraw/zinc/76/64/38/571766438.db2.gz	WRPDZHJNLYNFFT-APQOSEDMSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000050027578	571768243	/nfs/dbraw/zinc/76/82/43/571768243.db2.gz	JZOYFBPIEHCDFV-SFYZADRCSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027578	571768246	/nfs/dbraw/zinc/76/82/46/571768246.db2.gz	JZOYFBPIEHCDFV-SFYZADRCSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
CSCC[C@H](NC(=O)[C@H](N)CCC(N)=O)C(=O)[O-]	ZINC000050027563	571768365	/nfs/dbraw/zinc/76/83/65/571768365.db2.gz	SIGGQAHUPUBWNF-RQJHMYQMSA-N	-1	3	277.346	-1.098	1	0	endogenous,in-man	CAAFHM
N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000261498881	571863177	/nfs/dbraw/zinc/86/31/77/571863177.db2.gz	WEUKYXZXBBLBOY-HLTSFMKQSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-vitro	CAAFHM
N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000261498881	571863178	/nfs/dbraw/zinc/86/31/78/571863178.db2.gz	WEUKYXZXBBLBOY-HLTSFMKQSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-vitro	CAAFHM
N[C@@H](CC(=O)[O-])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000002564474	574411897	/nfs/dbraw/zinc/41/18/97/574411897.db2.gz	HDIUZRCBILKQEH-BQBZGAKWSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
Nc1nc2c(c(=O)[n-]1)N[C@@H]([C@H](O)[C@H](O)CO)CN2	ZINC000005114090	574412422	/nfs/dbraw/zinc/41/24/22/574412422.db2.gz	XHIXPVCTDRNTTC-KODRXGBYSA-N	-1	3	257.250	-2.728	1	0	endogenous,in-man	CAAFHM
N[C@H](CC(=O)NCCCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000050027975	574415205	/nfs/dbraw/zinc/41/52/05/574415205.db2.gz	VNJVIQOAVBMTIB-NKWVEPMBSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
N[C@H](CCC(=O)[O-])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027969	574415207	/nfs/dbraw/zinc/41/52/07/574415207.db2.gz	DRGKVKLJFBFMED-SFYZADRCSA-N	-1	3	275.305	-1.123	1	0	endogenous,in-vitro	CAAFHM
C[C@@H](O)[C@@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000069486018	574415605	/nfs/dbraw/zinc/41/56/05/574415605.db2.gz	WXVIGTAUZBUDPZ-LPBLVHEISA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
C[C@@H](O)[C@@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000069486018	574415606	/nfs/dbraw/zinc/41/56/06/574415606.db2.gz	WXVIGTAUZBUDPZ-LPBLVHEISA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
NC(=O)C[C@H](N)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386049	574417425	/nfs/dbraw/zinc/41/74/25/574417425.db2.gz	LANRHYRSJHPOKO-LURJTMIESA-N	-1	3	269.261	-1.444	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@H](N)C(=O)NC(CC(N)=O)C(=O)[O-]	ZINC000100386398	574417554	/nfs/dbraw/zinc/41/75/54/574417554.db2.gz	GEGSDGAFIIZDFA-BYPYZUCNSA-N	-1	3	260.250	-2.144	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CCC(NC(=O)[C@@H](N)CCC(N)=O)C(=O)[O-]	ZINC000100386420	574417558	/nfs/dbraw/zinc/41/75/58/574417558.db2.gz	SUXSHSUZJLEPHZ-YFKPBYRVSA-N	-1	3	274.277	-1.754	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100386441	574417587	/nfs/dbraw/zinc/41/75/87/574417587.db2.gz	JVWXUMYBRQZASY-ZETCQYMHSA-N	-1	3	283.288	-1.054	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@H](N)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386441	574417588	/nfs/dbraw/zinc/41/75/88/574417588.db2.gz	JVWXUMYBRQZASY-ZETCQYMHSA-N	-1	3	283.288	-1.054	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC(NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000100386754	574417690	/nfs/dbraw/zinc/41/76/90/574417690.db2.gz	RKIBATPZOOEGKQ-ZCFIWIBFSA-N	-1	3	269.261	-1.444	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC(NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386754	574417691	/nfs/dbraw/zinc/41/76/91/574417691.db2.gz	RKIBATPZOOEGKQ-ZCFIWIBFSA-N	-1	3	269.261	-1.444	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CCC(NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000100386773	574417697	/nfs/dbraw/zinc/41/76/97/574417697.db2.gz	WQHSKNJIRMTCEP-ZETCQYMHSA-N	-1	3	283.288	-1.054	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CCC(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386773	574417698	/nfs/dbraw/zinc/41/76/98/574417698.db2.gz	WQHSKNJIRMTCEP-ZETCQYMHSA-N	-1	3	283.288	-1.054	1	0	endogenous,in-vitro	CAAFHM
NC1=NC(=O)[C@H]2[C@H](N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)[N-]1	ZINC000095607493	185014919	/nfs/dbraw/zinc/01/49/19/185014919.db2.gz	UZYDRUGLLKATSS-FMGWEMOISA-N	-1	3	297.271	-3.493	1	0		CAAFHM
NC1=NC(=O)[C@@H]2[C@@H](N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)[N-]1	ZINC000095607494	185015624	/nfs/dbraw/zinc/01/56/24/185015624.db2.gz	UZYDRUGLLKATSS-WCMLQCRESA-N	-1	3	297.271	-3.493	1	0		CAAFHM
N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617745	185016199	/nfs/dbraw/zinc/01/61/99/185016199.db2.gz	WEUKYXZXBBLBOY-IWSPIJDZSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-man	CAAFHM
N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617745	185016200	/nfs/dbraw/zinc/01/62/00/185016200.db2.gz	WEUKYXZXBBLBOY-IWSPIJDZSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-man	CAAFHM
O=c1[nH]cnc2c1[n-]c(F)c2[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O	ZINC000096901229	185126647	/nfs/dbraw/zinc/12/66/47/185126647.db2.gz	MIRJLTROAUGHCB-FVSOOKTBSA-N	-1	3	284.247	-1.883	1	0		CAAFHM
CCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])[C@@H](C)O	ZINC000096902639	185127420	/nfs/dbraw/zinc/12/74/20/185127420.db2.gz	DJHNPYOORSIIJS-GKROBHDKSA-N	-1	3	262.262	-1.783	1	0		CAAFHM
COC(=O)C1=C[C@H](O)CN(Cc2cc(=O)[n-]c(=O)[nH]2)C1	ZINC000096910943	185128945	/nfs/dbraw/zinc/12/89/45/185128945.db2.gz	XGHVQRUGHKPZNH-VIFPVBQESA-N	-1	3	281.268	-1.661	1	0		CAAFHM
NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CC(=O)[O-]	ZINC000096917159	185129704	/nfs/dbraw/zinc/12/97/04/185129704.db2.gz	FFBHITQDPHRPPN-NKWVEPMBSA-N	-1	3	269.261	-2.276	1	0		CAAFHM
NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(=O)[O-]	ZINC000096917159	185129705	/nfs/dbraw/zinc/12/97/05/185129705.db2.gz	FFBHITQDPHRPPN-NKWVEPMBSA-N	-1	3	269.261	-2.276	1	0		CAAFHM
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1c[nH]c(=O)[n-]c1=O	ZINC000084652810	178910094	/nfs/dbraw/zinc/91/00/94/178910094.db2.gz	WQOPYKXGDGQVCK-QGOVLLJGSA-N	-1	3	258.230	-2.393	1	0		CAAFHM
N[C@@H](CCC(=O)[O-])C(=O)N[C@@H](CCC[NH3+])C(=O)[O-]	ZINC000005113904	170066956	/nfs/dbraw/zinc/06/69/56/170066956.db2.gz	FCQBDQYWNGUTPD-BQBZGAKWSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-man	CAAFHM
C[C@@H](O)[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O	ZINC000005115960	170067028	/nfs/dbraw/zinc/06/70/28/170067028.db2.gz	GNEUXCLUOVTONK-RWONEVQGSA-N	-1	3	282.256	-1.880	1	0		CAAFHM
Nc1nc2c(c(=O)[n-]1)N[C@H]([C@H](O)[C@H](O)CO)CN2	ZINC000005114094	170067122	/nfs/dbraw/zinc/06/71/22/170067122.db2.gz	XHIXPVCTDRNTTC-RPDRRWSUSA-N	-1	3	257.250	-2.728	1	0	in-man	CAAFHM
Nc1nc2c(c(=O)[n-]1)N[C@H]([C@@H](O)[C@H](O)CO)CN2	ZINC000005114097	170067233	/nfs/dbraw/zinc/06/72/33/170067233.db2.gz	XHIXPVCTDRNTTC-MRKVFDINSA-N	-1	3	257.250	-2.728	1	0	in-man	CAAFHM
N[C@@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000005131863	170069347	/nfs/dbraw/zinc/06/93/47/170069347.db2.gz	HGTOXWOVJAONKK-DHGOSONXSA-N	-1	3	267.234	-3.785	1	0	in-vitro	CAAFHM
CC(=O)N[C@@H]1[C@H]([C@@H](O)[C@@H](O)CO)OC(C(=O)[O-])=C[C@@H]1N	ZINC000005160513	170072267	/nfs/dbraw/zinc/07/22/67/170072267.db2.gz	NKENBBIXEGPQLS-FACSAILSSA-N	-1	3	290.272	-3.100	1	0		CAAFHM
NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[n-]c1=O	ZINC000005809741	170142014	/nfs/dbraw/zinc/14/20/14/170142014.db2.gz	IBDDFHSAYJSBMH-SOVPELCUSA-N	-1	3	287.228	-3.753	1	0		CAAFHM
O=c1[n-]cnc2c1ncn2O[C@@H]1CS[C@@H](CO)O1	ZINC000005954969	170161966	/nfs/dbraw/zinc/16/19/66/170161966.db2.gz	RHFNUHKDMCCIEW-RITPCOANSA-N	-1	3	270.270	-1.044	1	0		CAAFHM
O=c1[n-]cnc2c1ncn2O[C@@H]1CO[C@@H](CO)O1	ZINC000005954967	170161984	/nfs/dbraw/zinc/16/19/84/170161984.db2.gz	BYPIQYANEITLDX-PHDIDXHHSA-N	-1	3	254.202	-1.761	1	0		CAAFHM
O=c1[n-]cnc2c1ncn2O[C@H]1CS[C@@H](CO)O1	ZINC000005954975	170162229	/nfs/dbraw/zinc/16/22/29/170162229.db2.gz	RHFNUHKDMCCIEW-WDSKDSINSA-N	-1	3	270.270	-1.044	1	0		CAAFHM
O=c1[n-]cnc2c1ncn2O[C@H]1CO[C@@H](CO)O1	ZINC000005954971	170162288	/nfs/dbraw/zinc/16/22/88/170162288.db2.gz	BYPIQYANEITLDX-RITPCOANSA-N	-1	3	254.202	-1.761	1	0		CAAFHM
COC(=O)/C=C/C(=O)NC[C@@H](NC(=O)CN)C(=O)[O-]	ZINC000006482118	170205120	/nfs/dbraw/zinc/20/51/20/170205120.db2.gz	NNBAAQACXFIWQJ-YRFDSLTASA-N	-1	3	273.245	-2.640	1	0		CAAFHM
COC(=O)/C=C/C(=O)NC[C@@H](NC(=O)[C@H](C)N)C(=O)[O-]	ZINC000006486888	170205375	/nfs/dbraw/zinc/20/53/75/170205375.db2.gz	FYTQCODELWEUGB-HKFDCFJWSA-N	-1	3	287.272	-2.252	1	0		CAAFHM
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@@H](O)[C@H](O)[C@@H](O)CO	ZINC000008551719	170340040	/nfs/dbraw/zinc/34/00/40/170340040.db2.gz	XKQZIXVJVUPORE-IWGUZYHVSA-N	-1	3	276.249	-3.868	1	0	endogenous,in-vitro	CAAFHM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H](F)[C@@H]2O)cc1F	ZINC000031871682	171651892	/nfs/dbraw/zinc/65/18/92/171651892.db2.gz	BXHWKGLMPCAUQA-PPSQTFTMSA-N	-1	3	294.210	-2.375	1	0		CAAFHM
O=c1[n-]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H](F)[C@@H]2O)cc1F	ZINC000031871681	171652211	/nfs/dbraw/zinc/65/22/11/171652211.db2.gz	BXHWKGLMPCAUQA-KPRJIFDWSA-N	-1	3	294.210	-2.375	1	0		CAAFHM
C[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@H](O)[C@H]1CN2C(=O)C[C@H]2O1	ZINC000071758597	176260545	/nfs/dbraw/zinc/26/05/45/176260545.db2.gz	HYVUCUGHACXFFU-MLBSCHOTSA-N	-1	3	287.272	-2.779	1	0	in-vitro	CAAFHM
NS(=O)(=O)[N-][C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000072175688	176334267	/nfs/dbraw/zinc/33/42/67/176334267.db2.gz	PZKYCVXHAFETAH-FPRJBGLDSA-N	-1	3	258.252	-4.421	1	0		CAAFHM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](F)[C@H]2O)cc1F	ZINC000049111596	527434149	/nfs/dbraw/zinc/43/41/49/527434149.db2.gz	BXHWKGLMPCAUQA-WENHOLORSA-N	-1	3	294.210	-2.375	1	0		CAAFHM
O=c1cc(-c2cncn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nc[n-]1	ZINC000049018342	527474654	/nfs/dbraw/zinc/47/46/54/527474654.db2.gz	HWBGAHCSOWINAZ-HKWIRBFKSA-N	-1	3	294.267	-1.755	1	0		CAAFHM
NC(=O)CC[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000166661418	574419457	/nfs/dbraw/zinc/41/94/57/574419457.db2.gz	HNXKAWFNQGNMNH-ACZMJKKPSA-N	-1	3	259.262	-2.374	1	0	endogenous,in-vitro	CAAFHM
Nc1nc2c(c(=O)[n-]1)N[C@@H]([C@@H](O)[C@@H](O)CO)CN2	ZINC000013523441	560218601	/nfs/dbraw/zinc/21/86/01/560218601.db2.gz	XHIXPVCTDRNTTC-ALEPSDHESA-N	-1	3	257.250	-2.728	1	0	endogenous,in-vitro	CAAFHM
C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000027206940	571740712	/nfs/dbraw/zinc/74/07/12/571740712.db2.gz	WXVIGTAUZBUDPZ-DTLFHODZSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000027206940	571740715	/nfs/dbraw/zinc/74/07/15/571740715.db2.gz	WXVIGTAUZBUDPZ-DTLFHODZSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000034002928	571748769	/nfs/dbraw/zinc/74/87/69/571748769.db2.gz	WRPDZHJNLYNFFT-DTLFHODZSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
C[C@@H](O)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000034002928	571748772	/nfs/dbraw/zinc/74/87/72/571748772.db2.gz	WRPDZHJNLYNFFT-DTLFHODZSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000034018549	571748855	/nfs/dbraw/zinc/74/88/55/571748855.db2.gz	CTCFZNBRZBNKAX-YUMQZZPRSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000034018549	571748868	/nfs/dbraw/zinc/74/88/68/571748868.db2.gz	CTCFZNBRZBNKAX-YUMQZZPRSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000034022548	571748899	/nfs/dbraw/zinc/74/88/99/571748899.db2.gz	CTCFZNBRZBNKAX-JGVFFNPUSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000034022548	571748904	/nfs/dbraw/zinc/74/89/04/571748904.db2.gz	CTCFZNBRZBNKAX-JGVFFNPUSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)C[C@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000033995141	571748983	/nfs/dbraw/zinc/74/89/83/571748983.db2.gz	WSDOHRLQDGAOGU-RQJHMYQMSA-N	-1	3	269.261	-2.276	1	0	endogenous,in-man	CAAFHM
NC(=O)C[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000033995141	571748987	/nfs/dbraw/zinc/74/89/87/571748987.db2.gz	WSDOHRLQDGAOGU-RQJHMYQMSA-N	-1	3	269.261	-2.276	1	0	endogenous,in-man	CAAFHM
N[C@H](C[C@@H](O)C(=O)N[C@@H]1OCC=C1CO)C(=O)[O-]	ZINC000014635160	571717238	/nfs/dbraw/zinc/71/72/38/571717238.db2.gz	FKPGGSOHTXQOGP-ZXFLCMHBSA-N	-1	3	260.246	-2.460	1	0	endogenous,in-man	CAAFHM
CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)[O-]	ZINC000040439667	571762082	/nfs/dbraw/zinc/76/20/82/571762082.db2.gz	SIGGQAHUPUBWNF-BQBZGAKWSA-N	-1	3	277.346	-1.098	1	0	endogenous,in-man	CAAFHM
C[C@@H](O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000069485847	574048876	/nfs/dbraw/zinc/04/88/76/574048876.db2.gz	WRPDZHJNLYNFFT-MHSYXAOVSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
C[C@@H](O)[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000069485847	574048877	/nfs/dbraw/zinc/04/88/77/574048877.db2.gz	WRPDZHJNLYNFFT-MHSYXAOVSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
Nc1nc2c(c(=O)[n-]1)N[C@@H]([C@@H](O)[C@H](O)CO)CN2	ZINC000005114091	574412427	/nfs/dbraw/zinc/41/24/27/574412427.db2.gz	XHIXPVCTDRNTTC-ZMIZWQJLSA-N	-1	3	257.250	-2.728	1	0	endogenous,in-man	CAAFHM
N[C@H](CC(=O)N[C@@H](CCCC[NH3+])C(=O)[O-])C(=O)[O-]	ZINC000032790154	574414073	/nfs/dbraw/zinc/41/40/73/574414073.db2.gz	QGNYWQOMJSTUQZ-RQJHMYQMSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
N[C@@H](CC(=O)N[C@H](CCCC[NH3+])C(=O)[O-])C(=O)[O-]	ZINC000032790156	574414086	/nfs/dbraw/zinc/41/40/86/574414086.db2.gz	QGNYWQOMJSTUQZ-NKWVEPMBSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
C[C@@H](O)[C@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000034279674	574414227	/nfs/dbraw/zinc/41/42/27/574414227.db2.gz	WRPDZHJNLYNFFT-NJUXHZRNSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@@H](O)[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000034279674	574414228	/nfs/dbraw/zinc/41/42/28/574414228.db2.gz	WRPDZHJNLYNFFT-NJUXHZRNSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000034279675	574414234	/nfs/dbraw/zinc/41/42/34/574414234.db2.gz	WRPDZHJNLYNFFT-UIISKDMLSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000034279675	574414235	/nfs/dbraw/zinc/41/42/35/574414235.db2.gz	WRPDZHJNLYNFFT-UIISKDMLSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
NC(=[NH2+])NCCC[C@@H](NC(=O)C[C@@H](N)C(=O)[O-])C(=O)[O-]	ZINC000050027289	574414950	/nfs/dbraw/zinc/41/49/50/574414950.db2.gz	QCGCETFHYOEVAI-PHDIDXHHSA-N	-1	3	289.292	-2.379	1	0	endogenous,in-vitro	CAAFHM
N[C@H](CC(=O)[O-])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027977	574415230	/nfs/dbraw/zinc/41/52/30/574415230.db2.gz	HDIUZRCBILKQEH-RNFRBKRXSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
NC(=O)C[C@@H](N)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386047	574417446	/nfs/dbraw/zinc/41/74/46/574417446.db2.gz	LANRHYRSJHPOKO-ZCFIWIBFSA-N	-1	3	269.261	-1.444	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@@H](N)C(=O)NC(Cc1c[nH]cn1)C(=O)[O-]	ZINC000100386439	574417579	/nfs/dbraw/zinc/41/75/79/574417579.db2.gz	JVWXUMYBRQZASY-SSDOTTSWSA-N	-1	3	283.288	-1.054	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@@H](N)C(=O)NC(Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386439	574417580	/nfs/dbraw/zinc/41/75/80/574417580.db2.gz	JVWXUMYBRQZASY-SSDOTTSWSA-N	-1	3	283.288	-1.054	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC(NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000100386759	574417704	/nfs/dbraw/zinc/41/77/04/574417704.db2.gz	RKIBATPZOOEGKQ-LURJTMIESA-N	-1	3	269.261	-1.444	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC(NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386759	574417705	/nfs/dbraw/zinc/41/77/05/574417705.db2.gz	RKIBATPZOOEGKQ-LURJTMIESA-N	-1	3	269.261	-1.444	1	0	endogenous,in-vitro	CAAFHM
NC1=NC(=O)[C@@H]2[C@H](N=CN2[C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)[N-]1	ZINC000095607495	185016225	/nfs/dbraw/zinc/01/62/25/185016225.db2.gz	UZYDRUGLLKATSS-SHGPDSBTSA-N	-1	3	297.271	-3.493	1	0		CAAFHM
N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617747	185016265	/nfs/dbraw/zinc/01/62/65/185016265.db2.gz	WEUKYXZXBBLBOY-DJLDLDEBSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-man	CAAFHM
N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617747	185016266	/nfs/dbraw/zinc/01/62/66/185016266.db2.gz	WEUKYXZXBBLBOY-DJLDLDEBSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-man	CAAFHM
CC(C)COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])[C@H](C)O	ZINC000096902549	185127287	/nfs/dbraw/zinc/12/72/87/185127287.db2.gz	MMZWGOHBSMLSIA-OYNCUSHFSA-N	-1	3	290.316	-1.147	1	0		CAAFHM
CCC[C@H](O)[C@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)OC	ZINC000096902540	185127862	/nfs/dbraw/zinc/12/78/62/185127862.db2.gz	WVFHKKPEMSBQKT-FJXKBIBVSA-N	-1	3	276.289	-1.393	1	0		CAAFHM
CCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])[C@H](C)O	ZINC000096902640	185128233	/nfs/dbraw/zinc/12/82/33/185128233.db2.gz	DJHNPYOORSIIJS-VMHSAVOQSA-N	-1	3	262.262	-1.783	1	0		CAAFHM
COC(=O)C1=C[C@@H](O)CN(Cc2cc(=O)[n-]c(=O)[nH]2)C1	ZINC000096910944	185129257	/nfs/dbraw/zinc/12/92/57/185129257.db2.gz	XGHVQRUGHKPZNH-SECBINFHSA-N	-1	3	281.268	-1.661	1	0		CAAFHM
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCC(=O)[O-]	ZINC000096921284	185130581	/nfs/dbraw/zinc/13/05/81/185130581.db2.gz	LVMKBISRUURZQP-DTWKUNHWSA-N	-1	3	298.299	-1.198	1	0		CAAFHM
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCC(=O)[O-]	ZINC000096921284	185130582	/nfs/dbraw/zinc/13/05/82/185130582.db2.gz	LVMKBISRUURZQP-DTWKUNHWSA-N	-1	3	298.299	-1.198	1	0		CAAFHM
N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000261498882	571863110	/nfs/dbraw/zinc/86/31/10/571863110.db2.gz	WEUKYXZXBBLBOY-YIZRAAEISA-N	-1	3	268.273	-1.674	1	0	endogenous,in-vitro	CAAFHM
N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000261498882	571863113	/nfs/dbraw/zinc/86/31/13/571863113.db2.gz	WEUKYXZXBBLBOY-YIZRAAEISA-N	-1	3	268.273	-1.674	1	0	endogenous,in-vitro	CAAFHM
O=c1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=S)[n-]1	ZINC000008869288	304818801	/nfs/dbraw/zinc/81/88/01/304818801.db2.gz	GJTBSTBJLVYKAU-VXUIKNBNSA-N	-1	3	260.271	-1.483	2	0		CAAFHM
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@@H](O)CO)OC(C(=O)[O-])=C[C@@H]1N	ZINC000005160431	170072114	/nfs/dbraw/zinc/07/21/14/170072114.db2.gz	NKENBBIXEGPQLS-LAVLCPKXSA-N	-1	3	290.272	-3.100	1	0		CAAFHM
COC(OC)[C@H]1OC[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H]1O	ZINC000005923103	170156091	/nfs/dbraw/zinc/15/60/91/170156091.db2.gz	QHZOWDCTTDCNGN-CSMHCCOUSA-N	-1	3	290.247	-1.405	1	0		CAAFHM
COC(=O)[C@H](C)[N-]S(=O)(=O)N[C@@H](C)C(=O)OC	ZINC000006182885	170181282	/nfs/dbraw/zinc/18/12/82/170181282.db2.gz	MWEAVUQELVYREJ-WDSKDSINSA-N	-1	3	268.291	-1.467	1	0		CAAFHM
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@H](O)[C@H](O)[C@@H](O)CO	ZINC000008551720	170339843	/nfs/dbraw/zinc/33/98/43/170339843.db2.gz	XKQZIXVJVUPORE-FKZODXBYSA-N	-1	3	276.249	-3.868	1	0	endogenous,in-vitro	CAAFHM
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@@H](O)[C@@H](O)[C@@H](O)CO	ZINC000008551717	170339955	/nfs/dbraw/zinc/33/99/55/170339955.db2.gz	XKQZIXVJVUPORE-ALEPSDHESA-N	-1	3	276.249	-3.868	1	0	endogenous,in-vitro	CAAFHM
O=c1[n-]cnc2c1nnn2[C@H]1C=C(CO)[C@@H](O)[C@@H]1O	ZINC000017212011	170730136	/nfs/dbraw/zinc/73/01/36/170730136.db2.gz	VMHPSTGSEJZZKZ-UIISKDMLSA-N	-1	3	265.229	-1.878	1	0		CAAFHM
CC(=O)N[C@H]1[C@H](N)C=C(C(=O)[O-])O[C@H]1[C@@H](O)[C@@H](O)CO	ZINC000028006293	171544074	/nfs/dbraw/zinc/54/40/74/171544074.db2.gz	NKENBBIXEGPQLS-OKJJWFQTSA-N	-1	3	290.272	-3.100	1	0		CAAFHM
C[C@@H](CC(=O)[O-])NC(=O)C[C@H](C)NC(=O)C[C@@H](N)CO	ZINC000028711765	171571430	/nfs/dbraw/zinc/57/14/30/171571430.db2.gz	PFJMROMLMKJXNW-XHNCKOQMSA-N	-1	3	289.332	-1.430	1	0		CAAFHM
N[C@@H](Cn1c2c(c(=O)[nH]c1=O)CSC2)C(=O)[O-]	ZINC000040423756	174258421	/nfs/dbraw/zinc/25/84/21/174258421.db2.gz	PETHBUJXGHVGGK-YFKPBYRVSA-N	-1	3	257.271	-1.305	1	0		CAAFHM
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@]2([O-])F)c(=O)n1	ZINC000040428916	174259001	/nfs/dbraw/zinc/25/90/01/174259001.db2.gz	PJWBTAIPBFWVHX-FJGDRVTGSA-N	-1	3	261.209	-2.266	1	0		CAAFHM
NS(=O)(=O)[N-][C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000072176829	176333987	/nfs/dbraw/zinc/33/39/87/176333987.db2.gz	PZKYCVXHAFETAH-VFUOTHLCSA-N	-1	3	258.252	-4.421	1	0		CAAFHM
NS(=O)(=O)[N-][C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000072175681	176334374	/nfs/dbraw/zinc/33/43/74/176334374.db2.gz	PZKYCVXHAFETAH-RWOPYEJCSA-N	-1	3	258.252	-4.421	1	0		CAAFHM
NC(=O)CC[C@@H](N)C(=O)NC(CC(N)=O)C(=O)[O-]	ZINC000100386395	574417546	/nfs/dbraw/zinc/41/75/46/574417546.db2.gz	GEGSDGAFIIZDFA-SCSAIBSYSA-N	-1	3	260.250	-2.144	1	0	endogenous,in-vitro	CAAFHM
C[C@H](O)[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@H](O)[C@@H]1O	ZINC000048998282	525849842	/nfs/dbraw/zinc/84/98/42/525849842.db2.gz	GNEUXCLUOVTONK-ZGAAAFHUSA-N	-1	3	282.256	-1.880	1	0		CAAFHM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H](F)[C@H]2O)cc1F	ZINC000049111594	527434310	/nfs/dbraw/zinc/43/43/10/527434310.db2.gz	BXHWKGLMPCAUQA-XLKNOJSPSA-N	-1	3	294.210	-2.375	1	0	in-vitro	CAAFHM
O=c1[n-]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](F)[C@@H]2O)cc1F	ZINC000049111598	527434324	/nfs/dbraw/zinc/43/43/24/527434324.db2.gz	BXHWKGLMPCAUQA-LFRCOYDSSA-N	-1	3	294.210	-2.375	1	0		CAAFHM
NC(=O)CC[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000034361789	571751914	/nfs/dbraw/zinc/75/19/14/571751914.db2.gz	DXJZITDUDUPINW-CRCLSJGQSA-N	-1	3	260.250	-2.976	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000027206945	571740552	/nfs/dbraw/zinc/74/05/52/571740552.db2.gz	WXVIGTAUZBUDPZ-GEVIPFJHSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000027206945	571740555	/nfs/dbraw/zinc/74/05/55/571740555.db2.gz	WXVIGTAUZBUDPZ-GEVIPFJHSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
CSCC[C@@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)[O-]	ZINC000050026936	571765579	/nfs/dbraw/zinc/76/55/79/571765579.db2.gz	SIGGQAHUPUBWNF-NKWVEPMBSA-N	-1	3	277.346	-1.098	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000050026947	571765787	/nfs/dbraw/zinc/76/57/87/571765787.db2.gz	JZOYFBPIEHCDFV-JGVFFNPUSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050026947	571765790	/nfs/dbraw/zinc/76/57/90/571765790.db2.gz	JZOYFBPIEHCDFV-JGVFFNPUSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@H](N)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000100770960	571813629	/nfs/dbraw/zinc/81/36/29/571813629.db2.gz	HNXKAWFNQGNMNH-LYFYHCNISA-N	-1	3	259.262	-2.374	1	0	endogenous,in-vitro	CAAFHM
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@H](O)[C@@H](O)[C@H](O)CO	ZINC000003869416	574412018	/nfs/dbraw/zinc/41/20/18/574412018.db2.gz	XKQZIXVJVUPORE-MRKVFDINSA-N	-1	3	276.249	-3.868	1	0	endogenous,in-man	CAAFHM
N[C@H](CC(=O)N[C@H](CCCC[NH3+])C(=O)[O-])C(=O)[O-]	ZINC000032790152	574414099	/nfs/dbraw/zinc/41/40/99/574414099.db2.gz	QGNYWQOMJSTUQZ-RNFRBKRXSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
C[C@H](O)[C@@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000050027691	574415093	/nfs/dbraw/zinc/41/50/93/574415093.db2.gz	WXVIGTAUZBUDPZ-UIISKDMLSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
C[C@H](O)[C@@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027691	574415094	/nfs/dbraw/zinc/41/50/94/574415094.db2.gz	WXVIGTAUZBUDPZ-UIISKDMLSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
N[C@@H](CCC(=O)[O-])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027891	574415155	/nfs/dbraw/zinc/41/51/55/574415155.db2.gz	DRGKVKLJFBFMED-JGVFFNPUSA-N	-1	3	275.305	-1.123	1	0	endogenous,in-vitro	CAAFHM
N[C@H](CC(=O)NCCCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000050027980	574415236	/nfs/dbraw/zinc/41/52/36/574415236.db2.gz	VNJVIQOAVBMTIB-RNFRBKRXSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CCC(NC(=O)[C@H](N)CCC(N)=O)C(=O)[O-]	ZINC000100386416	574417552	/nfs/dbraw/zinc/41/75/52/574417552.db2.gz	SUXSHSUZJLEPHZ-RXMQYKEDSA-N	-1	3	274.277	-1.754	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@@H](N)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617714	185016473	/nfs/dbraw/zinc/01/64/73/185016473.db2.gz	HNXKAWFNQGNMNH-RRKCRQDMSA-N	-1	3	259.262	-2.374	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@@H](N)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617715	185016496	/nfs/dbraw/zinc/01/64/96/185016496.db2.gz	HNXKAWFNQGNMNH-FSDSQADBSA-N	-1	3	259.262	-2.374	1	0	endogenous,in-man	CAAFHM
N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617744	185016506	/nfs/dbraw/zinc/01/65/06/185016506.db2.gz	WEUKYXZXBBLBOY-HRDYMLBCSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-man	CAAFHM
N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617744	185016507	/nfs/dbraw/zinc/01/65/07/185016507.db2.gz	WEUKYXZXBBLBOY-HRDYMLBCSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-man	CAAFHM
N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617746	185016600	/nfs/dbraw/zinc/01/66/00/185016600.db2.gz	WEUKYXZXBBLBOY-XHNCKOQMSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-man	CAAFHM
N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617746	185016602	/nfs/dbraw/zinc/01/66/02/185016602.db2.gz	WEUKYXZXBBLBOY-XHNCKOQMSA-N	-1	3	268.273	-1.674	1	0	endogenous,in-man	CAAFHM
O=c1[nH]cnc2c1[n-]c(F)c2[C@@H]1N[C@H](CO)[C@H](O)[C@H]1O	ZINC000096901228	185127164	/nfs/dbraw/zinc/12/71/64/185127164.db2.gz	MIRJLTROAUGHCB-UILNJHMOSA-N	-1	3	284.247	-1.883	1	0		CAAFHM
CCCCOC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)[O-])[C@H](C)O	ZINC000096902555	185127342	/nfs/dbraw/zinc/12/73/42/185127342.db2.gz	LKALYQSHEGGNED-OYNCUSHFSA-N	-1	3	290.316	-1.003	1	0		CAAFHM
CCC[C@@H](O)[C@H](NC(=O)[C@H](N)CC(=O)[O-])C(=O)OC	ZINC000096902541	185128260	/nfs/dbraw/zinc/12/82/60/185128260.db2.gz	WVFHKKPEMSBQKT-BHNWBGBOSA-N	-1	3	276.289	-1.393	1	0		CAAFHM
COC(=O)[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000005029780	170058048	/nfs/dbraw/zinc/05/80/48/170058048.db2.gz	ROKHWPNUILTGOS-XVMARJQXSA-N	-1	3	274.204	-1.503	1	0		CAAFHM
NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[n-]c1=O	ZINC000005809739	170142221	/nfs/dbraw/zinc/14/22/21/170142221.db2.gz	IBDDFHSAYJSBMH-LHKPINMVSA-N	-1	3	287.228	-3.753	1	0		CAAFHM
O=c1[n-]cnc2c1ncn2[C@H]1CO[C@@H](CO)[C@@H]1O	ZINC000005954933	170162035	/nfs/dbraw/zinc/16/20/35/170162035.db2.gz	VUDZUOKPXFETKY-VMHSAVOQSA-N	-1	3	252.230	-1.587	1	0		CAAFHM
NC(=O)[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O	ZINC000006090937	170175120	/nfs/dbraw/zinc/17/51/20/170175120.db2.gz	RJSHVMAAXSSKKK-JKUQZMGJSA-N	-1	3	259.193	-2.191	1	0		CAAFHM
[O-]N=c1nc[nH]c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000006119250	170177426	/nfs/dbraw/zinc/17/74/26/170177426.db2.gz	QROZCFCNYCVEDO-UHTZMRCNSA-N	-1	3	283.244	-1.761	1	0		CAAFHM
O=c1[n-]c(=O)n([C@@H]2S[C@@H](CO)[C@H](O)[C@H]2O)cc1F	ZINC000006524067	170210045	/nfs/dbraw/zinc/21/00/45/170210045.db2.gz	FLAHATSCJQFZKB-LZCNBPATSA-N	-1	3	278.261	-1.996	1	0		CAAFHM
N[C@H](C(=O)[O-])[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O	ZINC000006524829	170210060	/nfs/dbraw/zinc/21/00/60/170210060.db2.gz	OTBZTPBBZITZBP-TVNFTVLESA-N	-1	3	287.228	-3.432	1	0		CAAFHM
O=c1ccn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=S)[n-]1	ZINC000008869285	170357923	/nfs/dbraw/zinc/35/79/23/170357923.db2.gz	GJTBSTBJLVYKAU-MLQRGLMKSA-N	-1	3	260.271	-1.483	2	0		CAAFHM
O=c1[n-]cnc2c1ncn2O[C@@H]1CO[C@H](CO)O1	ZINC000026289830	171478808	/nfs/dbraw/zinc/47/88/08/171478808.db2.gz	BYPIQYANEITLDX-NTSWFWBYSA-N	-1	3	254.202	-1.761	1	0		CAAFHM
C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)[O-]	ZINC000039817418	174173643	/nfs/dbraw/zinc/17/36/43/174173643.db2.gz	FQKKPCWTZZEDIC-XPUUQOCRSA-N	-1	3	283.288	-2.015	1	0		CAAFHM
C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN)C(=O)[O-]	ZINC000039817418	174173646	/nfs/dbraw/zinc/17/36/46/174173646.db2.gz	FQKKPCWTZZEDIC-XPUUQOCRSA-N	-1	3	283.288	-2.015	1	0		CAAFHM
O=c1[n-]c(=O)n(COC(CO)CO)cc1Cl	ZINC000040762929	174397254	/nfs/dbraw/zinc/39/72/54/174397254.db2.gz	VYHOYJZPTHQAMU-UHFFFAOYSA-N	-1	3	250.638	-1.483	1	0		CAAFHM
C[C@]1(O)[C@@H](O)[C@H](n2cnc3c2[nH]cnc3=N[O-])O[C@@H]1CO	ZINC000071317140	176121965	/nfs/dbraw/zinc/12/19/65/176121965.db2.gz	JCNCXBKYHCZODL-ZGUVBZSNSA-N	-1	3	297.271	-1.371	1	0		CAAFHM
N[C@H](CC(=O)[O-])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027973	574415198	/nfs/dbraw/zinc/41/51/98/574415198.db2.gz	HDIUZRCBILKQEH-NKWVEPMBSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
O=c1[nH]cnc2c1[n-]nc2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000048999311	527045736	/nfs/dbraw/zinc/04/57/36/527045736.db2.gz	PJPXRJVAWSAZFX-PBXMGIMNSA-N	-1	3	268.229	-3.195	1	0		CAAFHM
O=C1O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c([O-])cc(O)cc21	ZINC000034150869	560087435	/nfs/dbraw/zinc/08/74/35/560087435.db2.gz	ASMJEFOVGPJHRZ-AZOIZPIDSA-N	-1	3	298.247	-1.209	1	0	biogenic,in-vitro	CAAFHM
Nc1nc2c(c(=O)[n-]1)N[C@H]([C@@H](O)[C@@H](O)CO)CN2	ZINC000013523437	560218568	/nfs/dbraw/zinc/21/85/68/560218568.db2.gz	XHIXPVCTDRNTTC-RVJQKOHUSA-N	-1	3	257.250	-2.728	1	0	endogenous,in-vitro	CAAFHM
N[C@H]1[C@H]([C@@H](O)[C@@H](O)CO)O[C@](O)(C(=O)[O-])C[C@@H]1O	ZINC000013545339	560219479	/nfs/dbraw/zinc/21/94/79/560219479.db2.gz	CERZMXAJYMMUDR-ZKLIOYSQSA-N	-1	3	267.234	-4.049	1	0	in-vitro	CAAFHM
NC(=O)CC[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000034022549	571748707	/nfs/dbraw/zinc/74/87/07/571748707.db2.gz	CTCFZNBRZBNKAX-HTQZYQBOSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000034022549	571748711	/nfs/dbraw/zinc/74/87/11/571748711.db2.gz	CTCFZNBRZBNKAX-HTQZYQBOSA-N	-1	3	283.288	-1.886	1	0	endogenous,in-man	CAAFHM
NC(=O)C[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000033995143	571748745	/nfs/dbraw/zinc/74/87/45/571748745.db2.gz	WSDOHRLQDGAOGU-RNFRBKRXSA-N	-1	3	269.261	-2.276	1	0	endogenous,in-man	CAAFHM
NC(=O)C[C@@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000033995143	571748747	/nfs/dbraw/zinc/74/87/47/571748747.db2.gz	WSDOHRLQDGAOGU-RNFRBKRXSA-N	-1	3	269.261	-2.276	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000034248033	571750076	/nfs/dbraw/zinc/75/00/76/571750076.db2.gz	WXVIGTAUZBUDPZ-APQOSEDMSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000034248033	571750080	/nfs/dbraw/zinc/75/00/80/571750080.db2.gz	WXVIGTAUZBUDPZ-APQOSEDMSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@@H](O)[C@@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000034248035	571750850	/nfs/dbraw/zinc/75/08/50/571750850.db2.gz	WXVIGTAUZBUDPZ-MHSYXAOVSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@@H](O)[C@@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000034248035	571750855	/nfs/dbraw/zinc/75/08/55/571750855.db2.gz	WXVIGTAUZBUDPZ-MHSYXAOVSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
NC(=O)CC[C@@H](N)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000034361790	571751721	/nfs/dbraw/zinc/75/17/21/571751721.db2.gz	DXJZITDUDUPINW-RFZPGFLSSA-N	-1	3	260.250	-2.976	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000040439621	571761919	/nfs/dbraw/zinc/76/19/19/571761919.db2.gz	WRPDZHJNLYNFFT-GEVIPFJHSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
C[C@H](O)[C@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000040439621	571761921	/nfs/dbraw/zinc/76/19/21/571761921.db2.gz	WRPDZHJNLYNFFT-GEVIPFJHSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CC[C@H](N)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000100770962	571813731	/nfs/dbraw/zinc/81/37/31/571813731.db2.gz	HNXKAWFNQGNMNH-DSYKOEDSSA-N	-1	3	259.262	-2.374	1	0	endogenous,in-vitro	CAAFHM
C[C@@H](O)[C@@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000034279676	574414211	/nfs/dbraw/zinc/41/42/11/574414211.db2.gz	WRPDZHJNLYNFFT-LPBLVHEISA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@@H](O)[C@@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000034279676	574414212	/nfs/dbraw/zinc/41/42/12/574414212.db2.gz	WRPDZHJNLYNFFT-LPBLVHEISA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@H](NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000034279673	574414245	/nfs/dbraw/zinc/41/42/45/574414245.db2.gz	WRPDZHJNLYNFFT-ARDNSNSESA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
C[C@H](O)[C@H](NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000034279673	574414246	/nfs/dbraw/zinc/41/42/46/574414246.db2.gz	WRPDZHJNLYNFFT-ARDNSNSESA-N	-1	3	256.262	-1.770	1	0	endogenous,in-man	CAAFHM
NC(=[NH2+])NCCC[C@@H](NC(=O)C[C@H](N)C(=O)[O-])C(=O)[O-]	ZINC000050026835	574414893	/nfs/dbraw/zinc/41/48/93/574414893.db2.gz	QCGCETFHYOEVAI-NTSWFWBYSA-N	-1	3	289.292	-2.379	1	0	endogenous,in-vitro	CAAFHM
C[C@@H](O)[C@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000050027188	574414910	/nfs/dbraw/zinc/41/49/10/574414910.db2.gz	WXVIGTAUZBUDPZ-NJUXHZRNSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
C[C@@H](O)[C@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000050027188	574414911	/nfs/dbraw/zinc/41/49/11/574414911.db2.gz	WXVIGTAUZBUDPZ-NJUXHZRNSA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
N[C@@H](CC(=O)[O-])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027906	574415180	/nfs/dbraw/zinc/41/51/80/574415180.db2.gz	HDIUZRCBILKQEH-RQJHMYQMSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
N[C@@H](CC(=O)NCCCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000050027909	574415182	/nfs/dbraw/zinc/41/51/82/574415182.db2.gz	VNJVIQOAVBMTIB-RQJHMYQMSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
N[C@@H](CC(=O)NCCCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]	ZINC000050027904	574415188	/nfs/dbraw/zinc/41/51/88/574415188.db2.gz	VNJVIQOAVBMTIB-BQBZGAKWSA-N	-1	3	261.278	-1.513	1	0	endogenous,in-vitro	CAAFHM
N[C@H](CCC(=O)[O-])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027972	574415232	/nfs/dbraw/zinc/41/52/32/574415232.db2.gz	DRGKVKLJFBFMED-HTQZYQBOSA-N	-1	3	275.305	-1.123	1	0	endogenous,in-vitro	CAAFHM
C[C@H](O)[C@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)[O-]	ZINC000069486025	574415585	/nfs/dbraw/zinc/41/55/85/574415585.db2.gz	WXVIGTAUZBUDPZ-ARDNSNSESA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
C[C@H](O)[C@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000069486025	574415586	/nfs/dbraw/zinc/41/55/86/574415586.db2.gz	WXVIGTAUZBUDPZ-ARDNSNSESA-N	-1	3	256.262	-1.770	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CCC(NC(=O)[C@H](N)Cc1c[nH]cn1)C(=O)[O-]	ZINC000100386769	574417671	/nfs/dbraw/zinc/41/76/71/574417671.db2.gz	WQHSKNJIRMTCEP-SSDOTTSWSA-N	-1	3	283.288	-1.054	1	0	endogenous,in-vitro	CAAFHM
NC(=O)CCC(NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)[O-]	ZINC000100386769	574417672	/nfs/dbraw/zinc/41/76/72/574417672.db2.gz	WQHSKNJIRMTCEP-SSDOTTSWSA-N	-1	3	283.288	-1.054	1	0	endogenous,in-vitro	CAAFHM