smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[n+]1[O-]	ZINC000095577530	185011091	/nfs/dbraw/zinc/01/10/91/185011091.db2.gz	GFFPFDZXIVTAHU-XVFCMESISA-N	0	3	259.218	-3.325	1	0		CAAFHN
N[C@H](CCCC[NH3+])C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617763	185016131	/nfs/dbraw/zinc/01/61/31/185016131.db2.gz	BFDLYDRHDPSQHM-DJLDLDEBSA-N	0	3	259.306	-1.511	1	0	endogenous,in-man	CAAFHN
NC(=O)CC[C@H](N)C(=O)N[C@H](Cc1c[nH]cn1)C(N)=O	ZINC000096921278	185130808	/nfs/dbraw/zinc/13/08/08/185130808.db2.gz	PRWHDGWJTJKCMM-JGVFFNPUSA-N	0	3	282.304	-2.485	1	0		CAAFHN
NC(=O)CC[C@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O	ZINC000096921278	185130809	/nfs/dbraw/zinc/13/08/09/185130809.db2.gz	PRWHDGWJTJKCMM-JGVFFNPUSA-N	0	3	282.304	-2.485	1	0		CAAFHN
NC(=O)C[C@@H](NC(=O)[C@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000050027391	571767348	/nfs/dbraw/zinc/76/73/48/571767348.db2.gz	JPNRPAJITHRXRH-RNFRBKRXSA-N	0	3	260.294	-2.113	1	0	endogenous,in-man	CAAFHN
NC(=O)C1NN=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=O	ZINC000169329041	188658833	/nfs/dbraw/zinc/65/88/33/188658833.db2.gz	NDNYDLYERFFCMW-YHLBUKLKSA-N	0	3	259.218	-4.150	1	0		CAAFHN
Cn1c[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[n-]c(=O)c21	ZINC000005116717	170067992	/nfs/dbraw/zinc/06/79/92/170067992.db2.gz	VJNXUFOTKNTNPG-IOSLPCCCSA-O	0	3	283.264	-2.427	1	0	endogenous,in-man	CAAFHN
NC[C@H]1O[C@@H](n2cnc3c2nc(N)[nH]c3=O)[C@@H](O)[C@@H]1O	ZINC000006253028	170185710	/nfs/dbraw/zinc/18/57/10/170185710.db2.gz	JUWYSPSHBRXOGR-FJFJXFQQSA-N	0	3	282.260	-2.308	1	0		CAAFHN
CC(C)C[C@H](CO)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	ZINC000040379679	174250126	/nfs/dbraw/zinc/25/01/26/174250126.db2.gz	NFDKHBKGVOUFID-LZQZFOIKSA-N	0	3	263.334	-1.536	1	0		CAAFHN
NC(=O)CC(NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000100387398	574417942	/nfs/dbraw/zinc/41/79/42/574417942.db2.gz	JCNZAAYWNJHDLD-LURJTMIESA-N	0	3	260.294	-1.281	1	0	endogenous,in-vitro	CAAFHN
NC(=O)CC(NC(=O)[C@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000100387395	574417950	/nfs/dbraw/zinc/41/79/50/574417950.db2.gz	JCNZAAYWNJHDLD-ZCFIWIBFSA-N	0	3	260.294	-1.281	1	0	endogenous,in-vitro	CAAFHN
C[C@@H](O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000014855882	560227066	/nfs/dbraw/zinc/22/70/66/560227066.db2.gz	XNSKSTRGQIPTSE-DSYKOEDSSA-N	0	3	275.309	-2.473	1	0	endogenous,in-vitro	CAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000167908033	574419465	/nfs/dbraw/zinc/41/94/65/574419465.db2.gz	MRSWIKOMENDNCQ-FXQIFTODSA-N	0	3	287.320	-2.377	1	0	endogenous,in-vitro	CAAFHN
N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000202422766	574420054	/nfs/dbraw/zinc/42/00/54/574420054.db2.gz	BFDLYDRHDPSQHM-CIUDSAMLSA-N	0	3	259.306	-1.511	1	0	endogenous,in-vitro	CAAFHN
C[C@H](O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000014855884	560227160	/nfs/dbraw/zinc/22/71/60/560227160.db2.gz	XNSKSTRGQIPTSE-LYFYHCNISA-N	0	3	275.309	-2.473	1	0	endogenous,in-vitro	CAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000034018756	571748609	/nfs/dbraw/zinc/74/86/09/571748609.db2.gz	JSLGXODUIAFWCF-WDSKDSINSA-N	0	3	288.308	-2.978	1	0	endogenous,in-man	CAAFHN
NC(=O)CC[C@@H](N)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000034893633	571752623	/nfs/dbraw/zinc/75/26/23/571752623.db2.gz	CLSDNFWKGFJIBZ-HTQZYQBOSA-N	0	3	274.321	-1.722	1	0	endogenous,in-man	CAAFHN
NC(=O)CC[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000034951647	571752627	/nfs/dbraw/zinc/75/26/27/571752627.db2.gz	OAPNERBWQWUPTI-JGVFFNPUSA-N	0	3	274.321	-1.722	1	0	endogenous,in-man	CAAFHN
NC(=O)CC[C@H](N)C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000034893635	571752730	/nfs/dbraw/zinc/75/27/30/571752730.db2.gz	CLSDNFWKGFJIBZ-JGVFFNPUSA-N	0	3	274.321	-1.722	1	0	endogenous,in-man	CAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000261497196	571862742	/nfs/dbraw/zinc/86/27/42/571862742.db2.gz	MRSWIKOMENDNCQ-GJMOJQLCSA-N	0	3	287.320	-2.377	1	0	endogenous,in-vitro	CAAFHN
C[C@H](O)[C@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000013372532	574413194	/nfs/dbraw/zinc/41/31/94/574413194.db2.gz	XNSKSTRGQIPTSE-XVMARJQXSA-N	0	3	275.309	-2.473	1	0	endogenous,in-man	CAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000034018758	574414186	/nfs/dbraw/zinc/41/41/86/574414186.db2.gz	JSLGXODUIAFWCF-NTSWFWBYSA-N	0	3	288.308	-2.978	1	0	endogenous,in-vitro	CAAFHN
NC(=O)CC[C@H](N)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000034893637	574414270	/nfs/dbraw/zinc/41/42/70/574414270.db2.gz	LFFMZMYNSAJLIG-YUMQZZPRSA-N	0	3	274.321	-1.722	1	0	endogenous,in-vitro	CAAFHN
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000040439714	574414685	/nfs/dbraw/zinc/41/46/85/574414685.db2.gz	XNSKSTRGQIPTSE-VQVTYTSYSA-N	0	3	275.309	-2.473	1	0	endogenous,in-vitro	CAAFHN
O=C(CCc1ccccc1)NC[C@@H]1N[C@H](CO)[C@H](O)[C@H]1O	ZINC000026006349	581101800	/nfs/dbraw/zinc/10/18/00/581101800.db2.gz	XXVVDFLXGRVOFK-NEBZKDRISA-N	0	3	294.351	-1.210	1	0		CAAFHN
COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO	ZINC000096921288	185130947	/nfs/dbraw/zinc/13/09/47/185130947.db2.gz	NEIBBEQQLHWESX-JGVFFNPUSA-N	0	3	256.262	-2.070	1	0		CAAFHN
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CO	ZINC000096921288	185130948	/nfs/dbraw/zinc/13/09/48/185130948.db2.gz	NEIBBEQQLHWESX-JGVFFNPUSA-N	0	3	256.262	-2.070	1	0		CAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000100770801	571813500	/nfs/dbraw/zinc/81/35/00/571813500.db2.gz	MRSWIKOMENDNCQ-XLPZGREQSA-N	0	3	287.320	-2.377	1	0	endogenous,in-vitro	CAAFHN
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)C[NH3+])OC(C(=O)[O-])=C[C@@H]1N	ZINC000005884077	170149937	/nfs/dbraw/zinc/14/99/37/170149937.db2.gz	XDWUALXMEIYOQM-UFGQHTETSA-N	0	3	289.288	-3.134	1	0	in-vitro	CAAFHN
Nc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2N)c(=O)[nH]1	ZINC000006119310	170177792	/nfs/dbraw/zinc/17/77/92/170177792.db2.gz	ROPTVRLUGSPXNH-AQZRFWRFSA-N	0	3	282.260	-2.720	1	0		CAAFHN
COC[C@H]1N[C@@H](c2c[nH]c3c2ncnc3N)[C@@H](O)[C@@H]1O	ZINC000026970324	171504412	/nfs/dbraw/zinc/50/44/12/171504412.db2.gz	QQBMUXYOGUWFAJ-NGELQDPLSA-N	0	3	279.300	-1.079	1	0		CAAFHN
CC(=[NH2+])NCCS(=O)(=O)CC[C@@H](N)C(=O)[O-]	ZINC000027657297	171527660	/nfs/dbraw/zinc/52/76/60/171527660.db2.gz	PYEUMXNYKBZUOL-SSDOTTSWSA-N	0	3	251.308	-1.210	1	0		CAAFHN
[NH3+][C@@H](CCSC[C@H]1N[C@H](O)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000072114316	176318444	/nfs/dbraw/zinc/31/84/44/176318444.db2.gz	PVFUUTABCMYHIQ-SLBCVNJHSA-N	0	3	266.319	-2.466	1	0		CAAFHN
[NH3+]C[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@H](O)[C@@H]1O	ZINC000049052407	527241543	/nfs/dbraw/zinc/24/15/43/527241543.db2.gz	CFRPQDDBSNZLHF-UAKXSSHOSA-N	0	3	261.209	-2.746	1	0		CAAFHN
NC(=O)CC[C@@H](N)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000034893632	571752660	/nfs/dbraw/zinc/75/26/60/571752660.db2.gz	CLSDNFWKGFJIBZ-SFYZADRCSA-N	0	3	274.321	-1.722	1	0	endogenous,in-man	CAAFHN
NC(=O)CC[C@@H](NC(=O)[C@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000034951648	571752732	/nfs/dbraw/zinc/75/27/32/571752732.db2.gz	OAPNERBWQWUPTI-HTQZYQBOSA-N	0	3	274.321	-1.722	1	0	endogenous,in-man	CAAFHN
C[C@@H](O)[C@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000034039988	574414189	/nfs/dbraw/zinc/41/41/89/574414189.db2.gz	XNSKSTRGQIPTSE-QYNIQEEDSA-N	0	3	275.309	-2.473	1	0	endogenous,in-man	CAAFHN
NC(=O)CC[C@@H](N)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000034893636	574414254	/nfs/dbraw/zinc/41/42/54/574414254.db2.gz	LFFMZMYNSAJLIG-SFYZADRCSA-N	0	3	274.321	-1.722	1	0	endogenous,in-vitro	CAAFHN
N[C@@H](Cc1c[nH]cn1)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027950	574415222	/nfs/dbraw/zinc/41/52/22/574415222.db2.gz	RBIOJRGACNAXJZ-UWVGGRQHSA-N	0	3	283.332	-1.022	1	0	endogenous,in-vitro	CAAFHN
N[C@@H](Cc1cnc[nH]1)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027950	574415223	/nfs/dbraw/zinc/41/52/23/574415223.db2.gz	RBIOJRGACNAXJZ-UWVGGRQHSA-N	0	3	283.332	-1.022	1	0	endogenous,in-vitro	CAAFHN
N[C@H](Cc1c[nH]cn1)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050028044	574415311	/nfs/dbraw/zinc/41/53/11/574415311.db2.gz	RBIOJRGACNAXJZ-VHSXEESVSA-N	0	3	283.332	-1.022	1	0	endogenous,in-vitro	CAAFHN
N[C@H](Cc1cnc[nH]1)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050028044	574415312	/nfs/dbraw/zinc/41/53/12/574415312.db2.gz	RBIOJRGACNAXJZ-VHSXEESVSA-N	0	3	283.332	-1.022	1	0	endogenous,in-vitro	CAAFHN
Cc1[nH]c2c(nc[nH]c2=O)c1[C@@H]1N[C@H](CO)[C@H](O)[C@H]1O	ZINC000100882029	581093738	/nfs/dbraw/zinc/09/37/38/581093738.db2.gz	ITTNZSXWLCIQSE-QBPGDQDWSA-N	0	3	280.284	-1.349	1	0		CAAFHN
COc1ncnc2c([C@@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c[nH]c21	ZINC000101484212	581099608	/nfs/dbraw/zinc/09/96/08/581099608.db2.gz	BTGUZNGAGLEDAD-JGWOGQQGSA-N	0	3	280.284	-1.355	1	0		CAAFHN
O=C(CCc1ccccc1)NC[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O	ZINC000026006343	581101719	/nfs/dbraw/zinc/10/17/19/581101719.db2.gz	XXVVDFLXGRVOFK-MXYBEHONSA-N	0	3	294.351	-1.210	1	0		CAAFHN
C[C@@H](O)[C@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O	ZINC000096917169	185130272	/nfs/dbraw/zinc/13/02/72/185130272.db2.gz	XZVHOWNNZGEHDW-NJUXHZRNSA-N	0	3	255.278	-2.370	1	0		CAAFHN
COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CC(N)=O	ZINC000096921280	185131055	/nfs/dbraw/zinc/13/10/55/185131055.db2.gz	PQMRWSJXQOHQPH-JGVFFNPUSA-N	0	3	283.288	-2.187	1	0		CAAFHN
NC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O	ZINC000096921293	185131124	/nfs/dbraw/zinc/13/11/24/185131124.db2.gz	PRWHDGWJTJKCMM-YUMQZZPRSA-N	0	3	282.304	-2.485	1	0		CAAFHN
NC(=O)CC[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O	ZINC000096921293	185131126	/nfs/dbraw/zinc/13/11/26/185131126.db2.gz	PRWHDGWJTJKCMM-YUMQZZPRSA-N	0	3	282.304	-2.485	1	0		CAAFHN
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CO	ZINC000096921287	185131507	/nfs/dbraw/zinc/13/15/07/185131507.db2.gz	NEIBBEQQLHWESX-YUMQZZPRSA-N	0	3	256.262	-2.070	1	0		CAAFHN
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CO	ZINC000096921287	185131508	/nfs/dbraw/zinc/13/15/08/185131508.db2.gz	NEIBBEQQLHWESX-YUMQZZPRSA-N	0	3	256.262	-2.070	1	0		CAAFHN
N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000100771196	571813666	/nfs/dbraw/zinc/81/36/66/571813666.db2.gz	BFDLYDRHDPSQHM-HRDYMLBCSA-N	0	3	259.306	-1.511	1	0	endogenous,in-vitro	CAAFHN
N[C@@H](CCCC[NH3+])C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000100771193	571813474	/nfs/dbraw/zinc/81/34/74/571813474.db2.gz	BFDLYDRHDPSQHM-XHNCKOQMSA-N	0	3	259.306	-1.511	1	0	endogenous,in-vitro	CAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000100770800	571813682	/nfs/dbraw/zinc/81/36/82/571813682.db2.gz	MRSWIKOMENDNCQ-BIIVOSGPSA-N	0	3	287.320	-2.377	1	0	endogenous,in-vitro	CAAFHN
Cn1c[n+]([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[n-]c(=O)c21	ZINC000005116716	170068007	/nfs/dbraw/zinc/06/80/07/170068007.db2.gz	VJNXUFOTKNTNPG-FCKMSMMTSA-O	0	3	283.264	-2.839	1	0	endogenous,in-man	CAAFHN
O=[S@@](C[C@@H]1N[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1	ZINC000006582370	170215862	/nfs/dbraw/zinc/21/58/62/170215862.db2.gz	FFOKAWCUGNRSCI-YHJJZMCBSA-N	0	3	271.338	-1.151	1	0		CAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000050026874	574414878	/nfs/dbraw/zinc/41/48/78/574414878.db2.gz	IJYZHIOOBGIINM-NTSWFWBYSA-N	0	3	261.282	-2.861	1	0	endogenous,in-vitro	CAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000001575287	560182524	/nfs/dbraw/zinc/18/25/24/560182524.db2.gz	LQJAALCCPOTJGB-JGVFFNPUSA-N	0	3	271.321	-1.347	1	0	endogenous,in-vitro	CAAFHN
NC(=[NH2+])NCCC[C@H](N)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000167908138	574419467	/nfs/dbraw/zinc/41/94/67/574419467.db2.gz	MRSWIKOMENDNCQ-CSMHCCOUSA-N	0	3	287.320	-2.377	1	0	endogenous,in-vitro	CAAFHN
C[N+](=O)[N-]CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000410428637	560029012	/nfs/dbraw/zinc/02/90/12/560029012.db2.gz	UKNQHANFSUKARD-RLMOJYMMSA-N	0	3	253.231	-3.326	1	0	endogenous,in-man	CAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000050027440	571767621	/nfs/dbraw/zinc/76/76/21/571767621.db2.gz	IJYZHIOOBGIINM-RITPCOANSA-N	0	3	261.282	-2.861	1	0	endogenous,in-man	CAAFHN
C[C@@H](O)[C@@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000034039990	574414179	/nfs/dbraw/zinc/41/41/79/574414179.db2.gz	XNSKSTRGQIPTSE-FSDSQADBSA-N	0	3	275.309	-2.473	1	0	endogenous,in-vitro	CAAFHN
C[C@H](O)[C@@H](NC(=O)[C@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000034039989	574414197	/nfs/dbraw/zinc/41/41/97/574414197.db2.gz	XNSKSTRGQIPTSE-RRKCRQDMSA-N	0	3	275.309	-2.473	1	0	endogenous,in-vitro	CAAFHN
NC(=O)CC[C@H](N)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000034893639	574414278	/nfs/dbraw/zinc/41/42/78/574414278.db2.gz	LFFMZMYNSAJLIG-JGVFFNPUSA-N	0	3	274.321	-1.722	1	0	endogenous,in-vitro	CAAFHN
N[C@@H](Cc1c[nH]cn1)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027952	574415202	/nfs/dbraw/zinc/41/52/02/574415202.db2.gz	RBIOJRGACNAXJZ-ZJUUUORDSA-N	0	3	283.332	-1.022	1	0	endogenous,in-vitro	CAAFHN
N[C@@H](Cc1cnc[nH]1)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027952	574415203	/nfs/dbraw/zinc/41/52/03/574415203.db2.gz	RBIOJRGACNAXJZ-ZJUUUORDSA-N	0	3	283.332	-1.022	1	0	endogenous,in-vitro	CAAFHN
N[C@H](Cc1c[nH]cn1)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050028047	574415299	/nfs/dbraw/zinc/41/52/99/574415299.db2.gz	RBIOJRGACNAXJZ-NXEZZACHSA-N	0	3	283.332	-1.022	1	0	endogenous,in-vitro	CAAFHN
N[C@H](Cc1cnc[nH]1)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050028047	574415300	/nfs/dbraw/zinc/41/53/00/574415300.db2.gz	RBIOJRGACNAXJZ-NXEZZACHSA-N	0	3	283.332	-1.022	1	0	endogenous,in-vitro	CAAFHN
N[C@H](CCCC[NH3+])C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617764	185016380	/nfs/dbraw/zinc/01/63/80/185016380.db2.gz	BFDLYDRHDPSQHM-IWSPIJDZSA-N	0	3	259.306	-1.511	1	0	endogenous,in-man	CAAFHN
C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O	ZINC000096917171	185130404	/nfs/dbraw/zinc/13/04/04/185130404.db2.gz	XZVHOWNNZGEHDW-DTLFHODZSA-N	0	3	255.278	-2.370	1	0		CAAFHN
C[N+](=O)[N-]CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000410428638	290806167	/nfs/dbraw/zinc/80/61/67/290806167.db2.gz	UKNQHANFSUKARD-YOWKYNACSA-N	0	3	253.231	-3.326	1	0	endogenous,in-man	CAAFHN
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](O)[C@H]1N	ZINC000007996353	170312669	/nfs/dbraw/zinc/31/26/69/170312669.db2.gz	CQKMBZHLOYVGHW-OHTRTQPWSA-N	0	3	266.261	-2.014	1	0		CAAFHN
N[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O)CO	ZINC000017215975	170730397	/nfs/dbraw/zinc/73/03/97/170730397.db2.gz	HDLCWWILKKWNET-BUVSBJAHSA-N	0	3	257.246	-2.495	1	0		CAAFHN
[NH3+][C@@H](CCSC[C@H]1N[C@@H](O)[C@H](O)[C@@H]1O)C(=O)[O-]	ZINC000072114315	176318370	/nfs/dbraw/zinc/31/83/70/176318370.db2.gz	PVFUUTABCMYHIQ-WCMLQCRESA-N	0	3	266.319	-2.466	1	0		CAAFHN
N[C@@H](CCCC[NH3+])C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000164890726	574419422	/nfs/dbraw/zinc/41/94/22/574419422.db2.gz	BFDLYDRHDPSQHM-VGMNWLOBSA-N	0	3	259.306	-1.511	1	0	endogenous,in-vitro	CAAFHN
O=C1[C@@H](O)CC[C@@H]2[C@H]3C[C@H](O)CN4CCC[C@@](O)(CN12)[C@@H]34	ZINC000085645049	560067239	/nfs/dbraw/zinc/06/72/39/560067239.db2.gz	GAKOCTGJYCACJH-MYMCGMNMSA-N	0	3	296.367	-1.072	1	0	biogenic,in-vitro	CAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000034018757	571748811	/nfs/dbraw/zinc/74/88/11/571748811.db2.gz	JSLGXODUIAFWCF-RITPCOANSA-N	0	3	288.308	-2.978	1	0	endogenous,in-man	CAAFHN
NC(=O)CC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000003645319	571683460	/nfs/dbraw/zinc/68/34/60/571683460.db2.gz	OAPNERBWQWUPTI-YUMQZZPRSA-N	0	3	274.321	-1.722	1	0	endogenous,in-man	CAAFHN
NC(=O)CC[C@H](NC(=O)[C@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000034951645	571752440	/nfs/dbraw/zinc/75/24/40/571752440.db2.gz	OAPNERBWQWUPTI-SFYZADRCSA-N	0	3	274.321	-1.722	1	0	endogenous,in-man	CAAFHN
NC(=O)C[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000050026812	571764920	/nfs/dbraw/zinc/76/49/20/571764920.db2.gz	JPNRPAJITHRXRH-NKWVEPMBSA-N	0	3	260.294	-2.113	1	0	endogenous,in-man	CAAFHN
NC(=O)C[C@H](NC(=O)[C@H](N)CCCC[NH3+])C(=O)[O-]	ZINC000050027381	571767484	/nfs/dbraw/zinc/76/74/84/571767484.db2.gz	JPNRPAJITHRXRH-RQJHMYQMSA-N	0	3	260.294	-2.113	1	0	endogenous,in-man	CAAFHN
NC(=[NH2+])NCCC[C@@H](N)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000034018759	574414183	/nfs/dbraw/zinc/41/41/83/574414183.db2.gz	JSLGXODUIAFWCF-PHDIDXHHSA-N	0	3	288.308	-2.978	1	0	endogenous,in-vitro	CAAFHN
NC(=O)CC[C@@H](N)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000034893638	574414265	/nfs/dbraw/zinc/41/42/65/574414265.db2.gz	LFFMZMYNSAJLIG-HTQZYQBOSA-N	0	3	274.321	-1.722	1	0	endogenous,in-vitro	CAAFHN
C[C@H](O)[C@H](NC(=O)[C@@H](N)CCCNC(N)=[NH2+])C(=O)[O-]	ZINC000040439712	574414696	/nfs/dbraw/zinc/41/46/96/574414696.db2.gz	XNSKSTRGQIPTSE-ACZMJKKPSA-N	0	3	275.309	-2.473	1	0	endogenous,in-vitro	CAAFHN
Cc1[nH]c2c(nc[nH]c2=O)c1[C@@H]1N[C@H](CO)[C@H](O)[C@@H]1O	ZINC000100882034	581093694	/nfs/dbraw/zinc/09/36/94/581093694.db2.gz	ITTNZSXWLCIQSE-KDXPKDCSSA-N	0	3	280.284	-1.349	1	0		CAAFHN
COc1ncnc2c([C@@H]3N[C@H](CO)[C@H](O)[C@H]3O)c[nH]c21	ZINC000101484205	581099670	/nfs/dbraw/zinc/09/96/70/581099670.db2.gz	BTGUZNGAGLEDAD-PFSJRZQVSA-N	0	3	280.284	-1.355	1	0		CAAFHN