smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[P@@]([O-])(OC[C@H](O)CO)OC[C@@H](O)CO	ZINC000001529618	560180939	/nfs/dbraw/zinc/18/09/39/560180939.db2.gz	LLCSXHMJULHSJN-OLQVQODUSA-N	-1	1	246.152	-2.174	10	0	in-vitro	BAAEMM
CCCC[C@H](NC(=O)CNC(=O)CN)C(=O)[O-]	ZINC000001576192	169010651	/nfs/dbraw/zinc/01/06/51/169010651.db2.gz	CJFBXNAWQSHSGH-ZETCQYMHSA-N	-1	1	245.279	-1.179	10	0		BAAEMM
NCC(=O)NCC(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000001637984	181350843	/nfs/dbraw/zinc/35/08/43/181350843.db2.gz	BUEFQXUHTUZXHR-ZCFIWIBFSA-N	-1	1	229.236	-1.863	10	0		BAAEMM
N[C@@H](CO)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000002047236	571682744	/nfs/dbraw/zinc/68/27/44/571682744.db2.gz	WBAXJMCUFIXCNI-NTSWFWBYSA-N	-1	1	202.210	-1.618	10	0	endogenous,in-man	BAAEMM
CC(=O)N[C@@H]1NC[C@@H](C(=O)[O-])[C@@H](O)[C@H]1O	ZINC000002381648	187988705	/nfs/dbraw/zinc/98/87/05/187988705.db2.gz	DQTKLICLJUKNCG-GBNDHIKLSA-N	-1	1	218.209	-2.526	10	0		BAAEMM
CC(C)C[C@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000002516129	342782138	/nfs/dbraw/zinc/78/21/38/342782138.db2.gz	NFDYGNFETJVMSE-BQBZGAKWSA-N	-1	1	218.253	-1.079	10	0	endogenous,in-man	BAAEMM
NC(=O)C[C@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000002522616	181244977	/nfs/dbraw/zinc/24/49/77/181244977.db2.gz	LTFSLKWFMWZEBD-IMJSIDKUSA-N	-1	1	219.197	-3.249	10	0	endogenous,in-man	BAAEMM
NC(=O)CC[C@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000002522619	181228372	/nfs/dbraw/zinc/22/83/72/181228372.db2.gz	UJTZHGHXJKIAOS-WHFBIAKZSA-N	-1	1	233.224	-2.859	10	0	endogenous,in-man	BAAEMM
CN(CC(=O)[O-])C(=O)CN(C)C(=O)CN	ZINC000002561044	342786537	/nfs/dbraw/zinc/78/65/37/342786537.db2.gz	UUAYUNPQUMIFQH-UHFFFAOYSA-N	-1	1	217.225	-2.054	10	0		BAAEMM
CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000002561110	342732085	/nfs/dbraw/zinc/73/20/85/342732085.db2.gz	ILVGMCVCQBJPSH-WDSKDSINSA-N	-1	1	204.226	-1.469	10	0	endogenous,in-man	BAAEMM
C[C@@H](NC(=O)CN)C(=O)NCC(=O)[O-]	ZINC000002564530	175830622	/nfs/dbraw/zinc/83/06/22/175830622.db2.gz	UGVQELHRNUDMAA-SCSAIBSYSA-N	-1	1	203.198	-2.349	10	0		BAAEMM
CSCC[C@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000002575490	342732483	/nfs/dbraw/zinc/73/24/83/342732483.db2.gz	PBUXMVYWOSKHMF-WDSKDSINSA-N	-1	1	236.293	-1.372	10	0	endogenous,in-man	BAAEMM
CC(=O)N[C@@H]1NC[C@H](C(=O)[O-])[C@H](O)[C@@H]1O	ZINC000003808846	188198609	/nfs/dbraw/zinc/19/86/09/188198609.db2.gz	DQTKLICLJUKNCG-AXMZGBSTSA-N	-1	1	218.209	-2.526	10	0		BAAEMM
CC(C)[C@H](NC(=O)[C@H](N)[C@@H](C)O)C(=O)[O-]	ZINC000003913405	571684270	/nfs/dbraw/zinc/68/42/70/571684270.db2.gz	CKHWEVXPLJBEOZ-QYNIQEEDSA-N	-1	1	218.253	-1.080	10	0	endogenous,in-man	BAAEMM
O=[P@]1([O-])O[C@H]2[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O	ZINC000004096372	571685033	/nfs/dbraw/zinc/68/50/33/571685033.db2.gz	SXHMVNXROAUURW-FTYOSCRSSA-N	-1	1	242.120	-2.672	10	0	endogenous,in-man	BAAEMM
C[C@H](O)[C@H](O)[C@@H]1CN=c2nc(N)[n-]c(=O)c2=N1	ZINC000004228252	177013808	/nfs/dbraw/zinc/01/38/08/177013808.db2.gz	ZHQJVZLJDXWFFX-FKZODXBYSA-N	-1	1	239.235	-2.396	10	0	in-vitro	BAAEMM
C[C@H](O)[C@@H](O)[C@@H]1CN=c2nc(N)[n-]c(=O)c2=N1	ZINC000004228254	177007177	/nfs/dbraw/zinc/00/71/77/177007177.db2.gz	ZHQJVZLJDXWFFX-RVJQKOHUSA-N	-1	1	239.235	-2.396	10	0	in-vitro	BAAEMM
C[C@@H]([NH3+])C(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000004531655	571686349	/nfs/dbraw/zinc/68/63/49/571686349.db2.gz	XZWXFWBHYRFLEF-IYSWYEEDSA-N	-1	1	226.236	-1.131	10	0	endogenous,in-man	BAAEMM
NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000004899755	181349332	/nfs/dbraw/zinc/34/93/32/181349332.db2.gz	BUEFQXUHTUZXHR-LURJTMIESA-N	-1	1	229.236	-1.863	10	0		BAAEMM
C[C@H](O)[C@H](O)[C@H]1CN=c2nc(N)[n-]c(=O)c2=N1	ZINC000005115873	571688064	/nfs/dbraw/zinc/68/80/64/571688064.db2.gz	ZHQJVZLJDXWFFX-RPDRRWSUSA-N	-1	1	239.235	-3.285	10	0	endogenous,in-man	BAAEMM
NC(=O)CC[C@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000005273806	181227691	/nfs/dbraw/zinc/22/76/91/181227691.db2.gz	UJTZHGHXJKIAOS-UHNVWZDZSA-N	-1	1	233.224	-2.859	10	0	endogenous,in-man	BAAEMM
NC(=O)CC[C@@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000005273807	181228042	/nfs/dbraw/zinc/22/80/42/181228042.db2.gz	UJTZHGHXJKIAOS-RFZPGFLSSA-N	-1	1	233.224	-2.859	10	0	endogenous,in-man	BAAEMM
NC(=O)CC[C@@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000005273808	181226850	/nfs/dbraw/zinc/22/68/50/181226850.db2.gz	UJTZHGHXJKIAOS-CRCLSJGQSA-N	-1	1	233.224	-2.859	10	0	endogenous,in-man	BAAEMM
C[C@H](O)[C@H](N)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000005273937	177012901	/nfs/dbraw/zinc/01/29/01/177012901.db2.gz	GXDLGHLJTHMDII-YUPRTTJUSA-N	-1	1	206.198	-2.744	10	0	endogenous,in-man	BAAEMM
C[C@H](O)[C@@H](N)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000005273938	177006661	/nfs/dbraw/zinc/00/66/61/177006661.db2.gz	GXDLGHLJTHMDII-VAYJURFESA-N	-1	1	206.198	-2.744	10	0	endogenous,in-man	BAAEMM
O=[P@]1([O-])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1	ZINC000005411416	560201756	/nfs/dbraw/zinc/20/17/56/560201756.db2.gz	PUJJEEQZLDDQPG-VFUOTHLCSA-N	-1	1	242.120	-2.059	10	0	in-vitro	BAAEMM
O=C(C=C1SC(=O)[N-]C1=O)NCCO	ZINC000005516695	384118625	/nfs/dbraw/zinc/11/86/25/384118625.db2.gz	BNVFJQWUPKFENN-ARJAWSKDSA-N	-1	1	216.218	-1.038	10	0		BAAEMM
OC[C@]12[N-]C(=S)O[C@@H]1[C@@H](O)[C@@H](O)CO2	ZINC000005600629	183159714	/nfs/dbraw/zinc/15/97/14/183159714.db2.gz	RSOSCOKPERYRJU-MEOJTODESA-N	-1	1	221.234	-2.300	10	0		BAAEMM
Cc1nc2[nH]c(=O)n(C)c(=O)c2[n-]c1=O	ZINC000013480234	387428448	/nfs/dbraw/zinc/42/84/48/387428448.db2.gz	AIXDXHOBNAWTCY-UHFFFAOYSA-N	-1	1	208.177	-1.381	10	0		BAAEMM
Cc1nc2[n-]c(=O)n(C)c(=O)c2[nH]c1=O	ZINC000013480234	387428445	/nfs/dbraw/zinc/42/84/45/387428445.db2.gz	AIXDXHOBNAWTCY-UHFFFAOYSA-N	-1	1	208.177	-1.381	10	0		BAAEMM
[NH3+][C@@H](CNC(=O)C[P@](=O)([O-])O)C(=O)[O-]	ZINC000013542030	560219255	/nfs/dbraw/zinc/21/92/55/560219255.db2.gz	APNRRABVQKGHJL-VKHMYHEASA-N	-1	1	226.125	-2.308	10	0	in-vitro	BAAEMM
C[C@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000013542077	574413346	/nfs/dbraw/zinc/41/33/46/574413346.db2.gz	QOLYAJSZHIJCTO-ACZMJKKPSA-N	-1	1	216.237	-1.230	10	0	endogenous,in-vitro	BAAEMM
CC(=O)N[C@@H]1NC[C@H](C(=O)[O-])[C@@H](O)[C@@H]1O	ZINC000014419542	259305607	/nfs/dbraw/zinc/30/56/07/259305607.db2.gz	DQTKLICLJUKNCG-VZFHVOOUSA-N	-1	1	218.209	-2.526	10	0		BAAEMM
OC[C@@H](O)[C@@H]1O[C@@H]2[N-]C(=S)O[C@@H]2[C@@H]1O	ZINC000015962125	183114756	/nfs/dbraw/zinc/11/47/56/183114756.db2.gz	PKBVCSNCOXHULL-DVKNGEFBSA-N	-1	1	221.234	-2.301	10	0		BAAEMM
C[C@@H](O)[C@H](O)C1=Nc2c(nc(N)[n-]c2=O)NC1	ZINC000018155852	571739814	/nfs/dbraw/zinc/73/98/14/571739814.db2.gz	FEMXZDUTFRTWPE-CVYQJGLWSA-N	-1	1	239.235	-1.408	10	0	endogenous,in-man	BAAEMM
CC[N@H+]1C[C@@](N)(C(=O)[O-])C[C@@H]1C(=O)[O-]	ZINC000026157741	170032630	/nfs/dbraw/zinc/03/26/30/170032630.db2.gz	IDVBYGZWDIPMSF-SVGQVSJJSA-N	-1	1	202.210	-1.053	10	0		BAAEMM
C[C@H](C(=O)C[C@@H]([NH3+])C(=O)[O-])[P@](=O)([O-])O	ZINC000026576674	188010441	/nfs/dbraw/zinc/01/04/41/188010441.db2.gz	BVUSJSHRRIWZPI-QWWZWVQMSA-N	-1	1	225.137	-1.076	10	0		BAAEMM
[NH3+]C1(C(=O)[O-])CC([C@@H](O)C[P@](=O)([O-])O)C1	ZINC000027432363	181329505	/nfs/dbraw/zinc/32/95/05/181329505.db2.gz	KCPBGCGOZPDQAH-DGLNKRQFSA-N	-1	1	239.164	-1.283	10	0		BAAEMM
[NH3+]C1(C(=O)[O-])CC([C@H](O)C[P@](=O)([O-])O)C1	ZINC000027434610	181329166	/nfs/dbraw/zinc/32/91/66/181329166.db2.gz	KCPBGCGOZPDQAH-KPPVHYKDSA-N	-1	1	239.164	-1.283	10	0		BAAEMM
N[C@H](CO)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000027651638	571741417	/nfs/dbraw/zinc/74/14/17/571741417.db2.gz	WBAXJMCUFIXCNI-PHDIDXHHSA-N	-1	1	202.210	-1.618	10	0	endogenous,in-man	BAAEMM
N[C@H](CO)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000027651643	571741395	/nfs/dbraw/zinc/74/13/95/571741395.db2.gz	WBAXJMCUFIXCNI-RITPCOANSA-N	-1	1	202.210	-1.618	10	0	endogenous,in-man	BAAEMM
C[C@@H](NC(=O)[C@H](C)NC(=O)CN)C(=O)[O-]	ZINC000028631251	371625278	/nfs/dbraw/zinc/62/52/78/371625278.db2.gz	PYTZFYUXZZHOAD-CRCLSJGQSA-N	-1	1	217.225	-1.961	10	0		BAAEMM
CC(C)C[C@@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000028631755	571741439	/nfs/dbraw/zinc/74/14/39/571741439.db2.gz	NFDYGNFETJVMSE-NKWVEPMBSA-N	-1	1	218.253	-1.079	10	0	endogenous,in-man	BAAEMM
CC(C)C[C@@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000028631758	571741443	/nfs/dbraw/zinc/74/14/43/571741443.db2.gz	NFDYGNFETJVMSE-RNFRBKRXSA-N	-1	1	218.253	-1.079	10	0	endogenous,in-man	BAAEMM
CC(C)C[C@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000028631761	571741411	/nfs/dbraw/zinc/74/14/11/571741411.db2.gz	NFDYGNFETJVMSE-RQJHMYQMSA-N	-1	1	218.253	-1.079	10	0	endogenous,in-man	BAAEMM
CSCC[C@@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000028631778	571741458	/nfs/dbraw/zinc/74/14/58/571741458.db2.gz	PBUXMVYWOSKHMF-NTSWFWBYSA-N	-1	1	236.293	-1.372	10	0	endogenous,in-man	BAAEMM
CSCC[C@@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000028631780	571741560	/nfs/dbraw/zinc/74/15/60/571741560.db2.gz	PBUXMVYWOSKHMF-PHDIDXHHSA-N	-1	1	236.293	-1.372	10	0	endogenous,in-man	BAAEMM
CSCC[C@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000028631781	571741223	/nfs/dbraw/zinc/74/12/23/571741223.db2.gz	PBUXMVYWOSKHMF-RITPCOANSA-N	-1	1	236.293	-1.372	10	0	endogenous,in-man	BAAEMM
O=C(C[P@](=O)([O-])O)NC(CO)CO	ZINC000028898754	182006514	/nfs/dbraw/zinc/00/65/14/182006514.db2.gz	PRWNGVGSGZHTOM-UHFFFAOYSA-N	-1	1	213.126	-2.367	10	0		BAAEMM
CSCC(=O)NN1CC(=O)[N-]C1=O	ZINC000029019941	371698857	/nfs/dbraw/zinc/69/88/57/371698857.db2.gz	FSZAKKJCJWSUAW-UHFFFAOYSA-N	-1	1	203.223	-1.068	10	0		BAAEMM
CC(=O)N[C@H]1NCC(C(=O)[O-])=C[C@@H]1O	ZINC000033753340	188271384	/nfs/dbraw/zinc/27/13/84/188271384.db2.gz	FEWAMSIVMNWVLK-NKWVEPMBSA-N	-1	1	200.194	-1.576	10	0		BAAEMM
C[C@H](O)[C@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000034334763	177012936	/nfs/dbraw/zinc/01/29/36/177012936.db2.gz	QOLYAJSZHIJCTO-XVMARJQXSA-N	-1	1	216.237	-1.230	10	0	endogenous,in-man	BAAEMM
C[C@H](O)[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000034334765	177006328	/nfs/dbraw/zinc/00/63/28/177006328.db2.gz	QOLYAJSZHIJCTO-RRKCRQDMSA-N	-1	1	216.237	-1.230	10	0	endogenous,in-man	BAAEMM
O=C(NCO)N(CO)[C@@H]1NC(=O)[N-]C1=O	ZINC000035024565	351385665	/nfs/dbraw/zinc/38/56/65/351385665.db2.gz	NWTJKPIGLNSSTB-VKHMYHEASA-N	-1	1	218.169	-2.937	10	0		BAAEMM
CNC(=O)CN1CCN(CC(=O)[O-])CC1	ZINC000035126938	173274684	/nfs/dbraw/zinc/27/46/84/173274684.db2.gz	YZXLVJANHNSHJK-UHFFFAOYSA-N	-1	1	215.253	-1.565	10	0		BAAEMM
C[C@@H]1CN(C(=O)CNCC(=O)[O-])CCO1	ZINC000035384944	176247109	/nfs/dbraw/zinc/24/71/09/176247109.db2.gz	KCFLBQZYZRLNNE-SSDOTTSWSA-N	-1	1	216.237	-1.092	10	0		BAAEMM
C[C@H]1CN(C(=O)CNCC(=O)[O-])CCO1	ZINC000035384946	177217157	/nfs/dbraw/zinc/21/71/57/177217157.db2.gz	KCFLBQZYZRLNNE-ZETCQYMHSA-N	-1	1	216.237	-1.092	10	0		BAAEMM
NC(=O)[C@H]1CCCN(C(=O)CNCC(=O)[O-])C1	ZINC000035385577	181280424	/nfs/dbraw/zinc/28/04/24/181280424.db2.gz	DNSMBJXYETUNID-ZETCQYMHSA-N	-1	1	243.263	-1.616	10	0		BAAEMM
NC(=O)[C@@H]1CCCN(C(=O)CNCC(=O)[O-])C1	ZINC000035385579	181269953	/nfs/dbraw/zinc/26/99/53/181269953.db2.gz	DNSMBJXYETUNID-SSDOTTSWSA-N	-1	1	243.263	-1.616	10	0		BAAEMM
CN1CCN(C(=O)CNCC(=O)[O-])CC1	ZINC000035385677	173066660	/nfs/dbraw/zinc/06/66/60/173066660.db2.gz	WJJZULMWMIZJMQ-UHFFFAOYSA-N	-1	1	215.253	-1.565	10	0		BAAEMM
CNC(=O)NC(=O)[C@H](C)NCC(=O)[O-]	ZINC000035385805	173288604	/nfs/dbraw/zinc/28/86/04/173288604.db2.gz	DGTASTIRPNLYFA-BYPYZUCNSA-N	-1	1	203.198	-1.495	10	0		BAAEMM
CNC(=O)NC(=O)[C@@H](C)NCC(=O)[O-]	ZINC000035385807	173288198	/nfs/dbraw/zinc/28/81/98/173288198.db2.gz	DGTASTIRPNLYFA-SCSAIBSYSA-N	-1	1	203.198	-1.495	10	0		BAAEMM
CNC(=O)NC(=O)CN[C@@H](C)C(=O)[O-]	ZINC000035388265	173287902	/nfs/dbraw/zinc/28/79/02/173287902.db2.gz	GFLWRECZRXDOAT-BYPYZUCNSA-N	-1	1	203.198	-1.495	10	0		BAAEMM
CNC(=O)NC(=O)CN[C@H](C)C(=O)[O-]	ZINC000035388267	173287561	/nfs/dbraw/zinc/28/75/61/173287561.db2.gz	GFLWRECZRXDOAT-SCSAIBSYSA-N	-1	1	203.198	-1.495	10	0		BAAEMM
COCCNC(=O)NC(=O)CN[C@@H](C)C(=O)[O-]	ZINC000035388407	174323750	/nfs/dbraw/zinc/32/37/50/174323750.db2.gz	RXMZAOJADHJSTB-LURJTMIESA-N	-1	1	247.251	-1.479	10	0		BAAEMM
COCCNC(=O)NC(=O)CN[C@H](C)C(=O)[O-]	ZINC000035388409	174324323	/nfs/dbraw/zinc/32/43/23/174324323.db2.gz	RXMZAOJADHJSTB-ZCFIWIBFSA-N	-1	1	247.251	-1.479	10	0		BAAEMM
Cc1[nH]c(=O)sc1S(=O)(=O)[N-]N	ZINC000035431060	357241245	/nfs/dbraw/zinc/24/12/45/357241245.db2.gz	SRPSOGCISNBQMK-UHFFFAOYSA-N	-1	1	209.252	-1.103	10	0		BAAEMM
N[N-]S(=O)(=O)c1c[nH]c(=O)[nH]c1=O	ZINC000035431062	357241323	/nfs/dbraw/zinc/24/13/23/357241323.db2.gz	IEPVEYUKXUMSJF-UHFFFAOYSA-N	-1	1	206.183	-2.785	10	0		BAAEMM
CNC(=O)[C@H](C)N1CCN(CC(=O)[O-])CC1	ZINC000035680741	173301952	/nfs/dbraw/zinc/30/19/52/173301952.db2.gz	VGXVPCRFKBVLTR-QMMMGPOBSA-N	-1	1	229.280	-1.177	10	0		BAAEMM
CNC(=O)[C@@H](C)N1CCN(CC(=O)[O-])CC1	ZINC000035680742	173293999	/nfs/dbraw/zinc/29/39/99/173293999.db2.gz	VGXVPCRFKBVLTR-MRVPVSSYSA-N	-1	1	229.280	-1.177	10	0		BAAEMM
CC(=O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1	ZINC000036478810	571753529	/nfs/dbraw/zinc/75/35/29/571753529.db2.gz	PSNIIJBQEZDDMR-XINAWCOVSA-N	-1	1	239.235	-1.492	10	0	endogenous,in-man	BAAEMM
CN1CCN(CCNC(=O)/C=C/C(=O)[O-])CC1	ZINC000037759593	173082199	/nfs/dbraw/zinc/08/21/99/173082199.db2.gz	FSHWPMJEOYEEHR-NSCUHMNNSA-N	-1	1	241.291	-1.009	10	0		BAAEMM
CN(C(N)=[NH2+])[C@@H](C(=O)[O-])[P@](=O)([O-])O	ZINC000038609343	172291573	/nfs/dbraw/zinc/29/15/73/172291573.db2.gz	CFPWPNDPUSLDPF-UWTATZPHSA-N	-1	1	211.114	-1.600	10	0		BAAEMM
CN(C(N)=[NH2+])[C@H](C(=O)[O-])[P@](=O)([O-])O	ZINC000038609346	172291688	/nfs/dbraw/zinc/29/16/88/172291688.db2.gz	CFPWPNDPUSLDPF-REOHCLBHSA-N	-1	1	211.114	-1.600	10	0		BAAEMM
CC[C@H](NC(=O)[C@H](CC)NC(=O)CN)C(=O)[O-]	ZINC000039135838	343386002	/nfs/dbraw/zinc/38/60/02/343386002.db2.gz	LXVNWIGQICRMAC-BQBZGAKWSA-N	-1	1	245.279	-1.181	10	0		BAAEMM
CC[C@@H](NC(=O)CN)C(=O)N[C@@H](CC)C(=O)[O-]	ZINC000039135839	343386068	/nfs/dbraw/zinc/38/60/68/343386068.db2.gz	LXVNWIGQICRMAC-RQJHMYQMSA-N	-1	1	245.279	-1.181	10	0		BAAEMM
CC[C@@H](NC(=O)[C@H](CC)NC(=O)CN)C(=O)[O-]	ZINC000039135840	384108210	/nfs/dbraw/zinc/10/82/10/384108210.db2.gz	LXVNWIGQICRMAC-NKWVEPMBSA-N	-1	1	245.279	-1.181	10	0		BAAEMM
CC[C@@H](NC(=O)[C@@H](CC)NC(=O)CN)C(=O)[O-]	ZINC000039135841	384109438	/nfs/dbraw/zinc/10/94/38/384109438.db2.gz	LXVNWIGQICRMAC-RNFRBKRXSA-N	-1	1	245.279	-1.181	10	0		BAAEMM
NC(=O)C[C@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000039386843	181244881	/nfs/dbraw/zinc/24/48/81/181244881.db2.gz	LTFSLKWFMWZEBD-DMTCNVIQSA-N	-1	1	219.197	-3.249	10	0	endogenous,in-man	BAAEMM
NC(=O)C[C@@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000039386844	181241707	/nfs/dbraw/zinc/24/17/07/181241707.db2.gz	LTFSLKWFMWZEBD-QWWZWVQMSA-N	-1	1	219.197	-3.249	10	0	endogenous,in-man	BAAEMM
NC(=O)C[C@@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000039386845	181242302	/nfs/dbraw/zinc/24/23/02/181242302.db2.gz	LTFSLKWFMWZEBD-IUYQGCFVSA-N	-1	1	219.197	-3.249	10	0	endogenous,in-man	BAAEMM
C[C@@H](O)[C@H](NC(=O)[C@@H](N)[C@H](C)O)C(=O)[O-]	ZINC000039626634	177013399	/nfs/dbraw/zinc/01/33/99/177013399.db2.gz	DSGIVWSDDRDJIO-FSIIMWSLSA-N	-1	1	220.225	-2.355	10	0	endogenous,in-man	BAAEMM
C[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@@H](C)O	ZINC000039626636	571754852	/nfs/dbraw/zinc/75/48/52/571754852.db2.gz	DSGIVWSDDRDJIO-ZXXMMSQZSA-N	-1	1	220.225	-2.355	10	0	endogenous,in-man	BAAEMM
NCC(=O)NCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000039816786	181351612	/nfs/dbraw/zinc/35/16/12/181351612.db2.gz	YWAQATDNEKZFFK-BYPYZUCNSA-N	-1	1	219.197	-3.377	10	0		BAAEMM
N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)[O-]	ZINC000039817004	343392684	/nfs/dbraw/zinc/39/26/84/343392684.db2.gz	UIGMAMGZOJVTDN-WHFBIAKZSA-N	-1	1	249.223	-4.016	10	0		BAAEMM
CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)[O-]	ZINC000039817131	171398056	/nfs/dbraw/zinc/39/80/56/171398056.db2.gz	HMHRTKOWRUPPNU-RCOVLWMOSA-N	-1	1	245.279	-1.323	10	0		BAAEMM
NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)[O-]	ZINC000039819919	368330313	/nfs/dbraw/zinc/33/03/13/368330313.db2.gz	WCORRBXVISTKQL-WHFBIAKZSA-N	-1	1	249.223	-4.016	10	0		BAAEMM
NC(=O)C[C@H]([NH3+])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000040439643	181245014	/nfs/dbraw/zinc/24/50/14/181245014.db2.gz	HZYFHQOWCFUSOV-IMJSIDKUSA-N	-1	1	247.207	-2.767	10	0	endogenous,in-man	BAAEMM
CC[C@@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000040439698	571762070	/nfs/dbraw/zinc/76/20/70/571762070.db2.gz	BXLYSRPHVMCOPS-VQVTYTSYSA-N	-1	1	218.253	-1.079	10	0	endogenous,in-vitro	BAAEMM
CC[C@H](C)[C@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000040439700	171398564	/nfs/dbraw/zinc/39/85/64/171398564.db2.gz	BXLYSRPHVMCOPS-ACZMJKKPSA-N	-1	1	218.253	-1.079	10	0	endogenous,in-vitro	BAAEMM
C[C@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000040439703	571761967	/nfs/dbraw/zinc/76/19/67/571761967.db2.gz	LDEBVRIURYMKQS-YUPRTTJUSA-N	-1	1	206.198	-2.744	10	0	endogenous,in-vitro	BAAEMM
C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000040439705	571762059	/nfs/dbraw/zinc/76/20/59/571762059.db2.gz	LDEBVRIURYMKQS-WISUUJSJSA-N	-1	1	206.198	-2.744	10	0	endogenous,in-vitro	BAAEMM
C[C@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000040439733	571762089	/nfs/dbraw/zinc/76/20/89/571762089.db2.gz	UQTNIFUCMBFWEJ-FKZODXBYSA-N	-1	1	233.224	-2.861	10	0	endogenous,in-man	BAAEMM
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000040439735	571762131	/nfs/dbraw/zinc/76/21/31/571762131.db2.gz	UQTNIFUCMBFWEJ-IWGUZYHVSA-N	-1	1	233.224	-2.861	10	0	endogenous,in-man	BAAEMM
C[C@H](O)[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000040439738	574414694	/nfs/dbraw/zinc/41/46/94/574414694.db2.gz	DSGIVWSDDRDJIO-BXKVDMCESA-N	-1	1	220.225	-2.355	10	0	endogenous,in-vitro	BAAEMM
C[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)[O-])[C@H](C)O	ZINC000040439740	574414683	/nfs/dbraw/zinc/41/46/83/574414683.db2.gz	DSGIVWSDDRDJIO-VANKVMQKSA-N	-1	1	220.225	-2.355	10	0	endogenous,in-vitro	BAAEMM
CC(C)[C@H](NC(=O)[C@@H](N)[C@H](C)O)C(=O)[O-]	ZINC000040439746	574414699	/nfs/dbraw/zinc/41/46/99/574414699.db2.gz	CKHWEVXPLJBEOZ-ACZMJKKPSA-N	-1	1	218.253	-1.080	10	0	endogenous,in-vitro	BAAEMM
NCC(=O)NCC(=O)N1CSC[C@@H]1C(=O)[O-]	ZINC000040469392	181352050	/nfs/dbraw/zinc/35/20/50/181352050.db2.gz	OSWYIASOAVNGSA-RXMQYKEDSA-N	-1	1	247.276	-1.953	10	0		BAAEMM
NCC(=O)NCC(=O)N1CSC[C@H]1C(=O)[O-]	ZINC000040469393	181352164	/nfs/dbraw/zinc/35/21/64/181352164.db2.gz	OSWYIASOAVNGSA-YFKPBYRVSA-N	-1	1	247.276	-1.953	10	0		BAAEMM
NCC(=O)NCC(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000040470609	181351902	/nfs/dbraw/zinc/35/19/02/181351902.db2.gz	OOVDDBXADUBLSD-WDSKDSINSA-N	-1	1	245.235	-2.892	10	0		BAAEMM
NCC(=O)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000040470610	181351187	/nfs/dbraw/zinc/35/11/87/181351187.db2.gz	OOVDDBXADUBLSD-RITPCOANSA-N	-1	1	245.235	-2.892	10	0		BAAEMM
NCC(=O)NCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000040470611	181352478	/nfs/dbraw/zinc/35/24/78/181352478.db2.gz	OOVDDBXADUBLSD-NTSWFWBYSA-N	-1	1	245.235	-2.892	10	0		BAAEMM
NCC(=O)NCC(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000040470612	181351274	/nfs/dbraw/zinc/35/12/74/181351274.db2.gz	OOVDDBXADUBLSD-PHDIDXHHSA-N	-1	1	245.235	-2.892	10	0		BAAEMM
C[C@H](O)[C@H](NC(=O)N1CCNCC1)C(=O)[O-]	ZINC000042304946	177013687	/nfs/dbraw/zinc/01/36/87/177013687.db2.gz	NNIJBZKKSWNUHT-BQBZGAKWSA-N	-1	1	231.252	-1.565	10	0		BAAEMM
C[C@H](O)[C@@H](NC(=O)N1CCNCC1)C(=O)[O-]	ZINC000042304952	177007281	/nfs/dbraw/zinc/00/72/81/177007281.db2.gz	NNIJBZKKSWNUHT-NKWVEPMBSA-N	-1	1	231.252	-1.565	10	0		BAAEMM
NC(=O)C[C@H](NC(=O)N1CCNCC1)C(=O)[O-]	ZINC000042420194	181245334	/nfs/dbraw/zinc/24/53/34/181245334.db2.gz	PNIRTOVXVKRHTM-LURJTMIESA-N	-1	1	244.251	-2.070	10	0		BAAEMM
C[C@@H](NC(=O)[C@@H]1CNCCO1)C(=O)[O-]	ZINC000043800017	385004713	/nfs/dbraw/zinc/00/47/13/385004713.db2.gz	IGRPFOVSIRTESI-RITPCOANSA-N	-1	1	202.210	-1.436	10	0		BAAEMM
C[C@@H](NC(=O)[C@H]1CNCCO1)C(=O)[O-]	ZINC000043800023	385003923	/nfs/dbraw/zinc/00/39/23/385003923.db2.gz	IGRPFOVSIRTESI-PHDIDXHHSA-N	-1	1	202.210	-1.436	10	0		BAAEMM
CC(C)(NC(=O)[C@H]1CNCCO1)C(=O)[O-]	ZINC000043801159	187292832	/nfs/dbraw/zinc/29/28/32/187292832.db2.gz	JLMRKAFIWWMYLY-ZCFIWIBFSA-N	-1	1	216.237	-1.046	10	0		BAAEMM
CN1CC[C@H](NS(=O)(=O)CC(=O)[O-])C1	ZINC000044386106	173154330	/nfs/dbraw/zinc/15/43/30/173154330.db2.gz	LEUCDQZGBHJPCZ-LURJTMIESA-N	-1	1	222.266	-1.306	10	0		BAAEMM
NS(=O)(=O)[N-]c1ncnc2[nH]cnc21	ZINC000045817454	343535003	/nfs/dbraw/zinc/53/50/03/343535003.db2.gz	ZOPZTNPEGYFXIT-UHFFFAOYSA-N	-1	1	214.210	-1.032	10	0		BAAEMM
COCC(=O)N1CCN(CC(=O)[O-])CC1	ZINC000048631522	174043500	/nfs/dbraw/zinc/04/35/00/174043500.db2.gz	WFIWQNLIPBLWPW-UHFFFAOYSA-N	-1	1	216.237	-1.138	10	0		BAAEMM
C[C@H](O)[C@@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000050026965	571765697	/nfs/dbraw/zinc/76/56/97/571765697.db2.gz	LDEBVRIURYMKQS-VAYJURFESA-N	-1	1	206.198	-2.744	10	0	endogenous,in-vitro	BAAEMM
CC(C)[C@@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000050026968	571765572	/nfs/dbraw/zinc/76/55/72/571765572.db2.gz	ILVGMCVCQBJPSH-NTSWFWBYSA-N	-1	1	204.226	-1.469	10	0	endogenous,in-man	BAAEMM
CC[C@H](C)[C@@H](NC(=O)[C@@H](N)CO)C(=O)[O-]	ZINC000050026972	171373841	/nfs/dbraw/zinc/37/38/41/171373841.db2.gz	BXLYSRPHVMCOPS-LYFYHCNISA-N	-1	1	218.253	-1.079	10	0	endogenous,in-vitro	BAAEMM
NC(=O)C[C@H]([NH3+])C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027130	181244668	/nfs/dbraw/zinc/24/46/68/181244668.db2.gz	HZYFHQOWCFUSOV-IUYQGCFVSA-N	-1	1	247.207	-2.767	10	0	endogenous,in-man	BAAEMM
C[C@@H](O)[C@H](N)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000050027170	574414929	/nfs/dbraw/zinc/41/49/29/574414929.db2.gz	GXDLGHLJTHMDII-WDCZJNDASA-N	-1	1	206.198	-2.744	10	0	endogenous,in-vitro	BAAEMM
CC(C)[C@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000050027399	571767372	/nfs/dbraw/zinc/76/73/72/571767372.db2.gz	ILVGMCVCQBJPSH-RITPCOANSA-N	-1	1	204.226	-1.469	10	0	endogenous,in-man	BAAEMM
CC[C@H](C)[C@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000050027403	574415058	/nfs/dbraw/zinc/41/50/58/574415058.db2.gz	BXLYSRPHVMCOPS-XVMARJQXSA-N	-1	1	218.253	-1.079	10	0	endogenous,in-man	BAAEMM
C[C@H](O)[C@@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000050027413	574415029	/nfs/dbraw/zinc/41/50/29/574415029.db2.gz	LDEBVRIURYMKQS-VPENINKCSA-N	-1	1	206.198	-2.744	10	0	endogenous,in-man	BAAEMM
CC(C)[C@@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000050027416	571767559	/nfs/dbraw/zinc/76/75/59/571767559.db2.gz	ILVGMCVCQBJPSH-PHDIDXHHSA-N	-1	1	204.226	-1.469	10	0	endogenous,in-man	BAAEMM
CC[C@H](C)[C@@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000050027417	574415052	/nfs/dbraw/zinc/41/50/52/574415052.db2.gz	BXLYSRPHVMCOPS-RRKCRQDMSA-N	-1	1	218.253	-1.079	10	0	endogenous,in-man	BAAEMM
C[C@H](O)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000050027646	574415082	/nfs/dbraw/zinc/41/50/82/574415082.db2.gz	QOLYAJSZHIJCTO-LYFYHCNISA-N	-1	1	216.237	-1.230	10	0	endogenous,in-vitro	BAAEMM
C[C@H](O)[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000050027649	571768142	/nfs/dbraw/zinc/76/81/42/571768142.db2.gz	UQTNIFUCMBFWEJ-RVJQKOHUSA-N	-1	1	233.224	-2.861	10	0	endogenous,in-man	BAAEMM
CC(C)[C@H](NC(=O)[C@H](N)[C@H](C)O)C(=O)[O-]	ZINC000050027651	574415104	/nfs/dbraw/zinc/41/51/04/574415104.db2.gz	CKHWEVXPLJBEOZ-XVMARJQXSA-N	-1	1	218.253	-1.080	10	0	endogenous,in-vitro	BAAEMM
C[C@H](O)[C@@H](N)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000050027666	574415102	/nfs/dbraw/zinc/41/51/02/574415102.db2.gz	GXDLGHLJTHMDII-VPENINKCSA-N	-1	1	206.198	-2.744	10	0	endogenous,in-vitro	BAAEMM
C[C@H](O)[C@@H](N)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000050027682	574415098	/nfs/dbraw/zinc/41/50/98/574415098.db2.gz	UQTNIFUCMBFWEJ-MRKVFDINSA-N	-1	1	233.224	-2.861	10	0	endogenous,in-vitro	BAAEMM
NC(=O)C[C@@H]([NH3+])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027744	181242033	/nfs/dbraw/zinc/24/20/33/181242033.db2.gz	HZYFHQOWCFUSOV-DMTCNVIQSA-N	-1	1	247.207	-2.767	10	0	endogenous,in-man	BAAEMM
NC(=O)C[C@@H]([NH3+])C(=O)N[C@H](CC(=O)[O-])C(=O)[O-]	ZINC000050027753	181241170	/nfs/dbraw/zinc/24/11/70/181241170.db2.gz	HZYFHQOWCFUSOV-QWWZWVQMSA-N	-1	1	247.207	-2.767	10	0	endogenous,in-man	BAAEMM
COCC[C@@H](NC(=O)[C@@H]1CNCCO1)C(=O)[O-]	ZINC000052786538	174392574	/nfs/dbraw/zinc/39/25/74/174392574.db2.gz	IGUZEMKJNUBIDA-SFYZADRCSA-N	-1	1	246.263	-1.419	10	0		BAAEMM
COCC[C@@H](NC(=O)[C@H]1CNCCO1)C(=O)[O-]	ZINC000052786540	174394531	/nfs/dbraw/zinc/39/45/31/174394531.db2.gz	IGUZEMKJNUBIDA-HTQZYQBOSA-N	-1	1	246.263	-1.419	10	0		BAAEMM
CS(=O)(=O)Cc1nc(N)cc(=O)[n-]1	ZINC000052788559	386597727	/nfs/dbraw/zinc/59/77/27/386597727.db2.gz	ZVRVFPKFLLCHMS-UHFFFAOYSA-N	-1	1	203.223	-1.103	10	0		BAAEMM
C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CNCCO1	ZINC000054071122	175623141	/nfs/dbraw/zinc/62/31/41/175623141.db2.gz	XGNDBXJIOTXHRN-BQBZGAKWSA-N	-1	1	216.237	-1.094	10	0		BAAEMM
C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CNCCO1	ZINC000054071128	176582924	/nfs/dbraw/zinc/58/29/24/176582924.db2.gz	XGNDBXJIOTXHRN-RNFRBKRXSA-N	-1	1	216.237	-1.094	10	0		BAAEMM
O=C([O-])[C@@H](NC(=O)[C@@H]1CNCCO1)C1CC1	ZINC000054523945	182321764	/nfs/dbraw/zinc/32/17/64/182321764.db2.gz	RIHZKDLGZNLKGH-YUMQZZPRSA-N	-1	1	228.248	-1.046	10	0		BAAEMM
O=C([O-])[C@H](NC(=O)[C@@H]1CNCCO1)C1CC1	ZINC000054523946	182284383	/nfs/dbraw/zinc/28/43/83/182284383.db2.gz	RIHZKDLGZNLKGH-JGVFFNPUSA-N	-1	1	228.248	-1.046	10	0		BAAEMM
O=C([O-])[C@@H](NC(=O)[C@H]1CNCCO1)C1CC1	ZINC000054523947	182502362	/nfs/dbraw/zinc/50/23/62/182502362.db2.gz	RIHZKDLGZNLKGH-SFYZADRCSA-N	-1	1	228.248	-1.046	10	0		BAAEMM
O=C([O-])[C@H](NC(=O)[C@H]1CNCCO1)C1CC1	ZINC000054523948	182285088	/nfs/dbraw/zinc/28/50/88/182285088.db2.gz	RIHZKDLGZNLKGH-HTQZYQBOSA-N	-1	1	228.248	-1.046	10	0		BAAEMM
O=C([O-])[C@@H](NC(=O)NCc1nn[nH]n1)C1CC1	ZINC000054525627	182275565	/nfs/dbraw/zinc/27/55/65/182275565.db2.gz	OZNCCLPIFUOBSX-LURJTMIESA-N	-1	1	240.223	-1.138	10	0		BAAEMM
O=C([O-])[C@H](NC(=O)NCc1nn[nH]n1)C1CC1	ZINC000054525628	182276016	/nfs/dbraw/zinc/27/60/16/182276016.db2.gz	OZNCCLPIFUOBSX-ZCFIWIBFSA-N	-1	1	240.223	-1.138	10	0		BAAEMM
CS(=O)(=O)CCC(=O)Nc1ncn[n-]1	ZINC000058003417	371945313	/nfs/dbraw/zinc/94/53/13/371945313.db2.gz	PCVRPNUYAWRMQE-UHFFFAOYSA-N	-1	1	218.238	-1.400	10	0		BAAEMM
COC(=O)NC(=O)C[N@H+]1CC[C@H](O)C1	ZINC000061708983	345843393	/nfs/dbraw/zinc/84/33/93/345843393.db2.gz	GPPVXAVEQJDVPN-LURJTMIESA-N	-1	1	202.210	-1.064	10	0		BAAEMM
COC(=O)NC(=O)C[N@@H+]1CC[C@H](O)C1	ZINC000061708983	345843389	/nfs/dbraw/zinc/84/33/89/345843389.db2.gz	GPPVXAVEQJDVPN-LURJTMIESA-N	-1	1	202.210	-1.064	10	0		BAAEMM
COC(=O)NC(=O)C[N@H+]1CC[C@@H](O)C1	ZINC000061708984	345843577	/nfs/dbraw/zinc/84/35/77/345843577.db2.gz	GPPVXAVEQJDVPN-ZCFIWIBFSA-N	-1	1	202.210	-1.064	10	0		BAAEMM
COC(=O)NC(=O)C[N@@H+]1CC[C@@H](O)C1	ZINC000061708984	345843574	/nfs/dbraw/zinc/84/35/74/345843574.db2.gz	GPPVXAVEQJDVPN-ZCFIWIBFSA-N	-1	1	202.210	-1.064	10	0		BAAEMM
NCC(=O)NCC(=O)N1CC[C@@H](C(=O)[O-])C1	ZINC000062135869	181350615	/nfs/dbraw/zinc/35/06/15/181350615.db2.gz	ISBWFESRSSXFFO-ZCFIWIBFSA-N	-1	1	229.236	-2.006	10	0		BAAEMM
NCC(=O)NCC(=O)N1CC[C@H](C(=O)[O-])C1	ZINC000062135870	181350836	/nfs/dbraw/zinc/35/08/36/181350836.db2.gz	ISBWFESRSSXFFO-LURJTMIESA-N	-1	1	229.236	-2.006	10	0		BAAEMM
NC(=O)C1=Nc2c(nc(N)[n-]c2=O)NC1	ZINC000062611003	181216437	/nfs/dbraw/zinc/21/64/37/181216437.db2.gz	DLTHRVDCJOFAHC-UHFFFAOYSA-N	-1	1	208.181	-1.665	10	0	in-vitro	BAAEMM
Nc1nc(=O)n([C@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[n-]1	ZINC000065734440	386664716	/nfs/dbraw/zinc/66/47/16/386664716.db2.gz	XCMNLQJDDNSSFQ-UOWFLXDJSA-N	-1	1	244.207	-2.846	10	0	in-vitro	BAAEMM
CC[C@@H](C)[C@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000069485968	574415562	/nfs/dbraw/zinc/41/55/62/574415562.db2.gz	BXLYSRPHVMCOPS-QYNIQEEDSA-N	-1	1	218.253	-1.079	10	0	endogenous,in-man	BAAEMM
C[C@H](O)[C@H](NC(=O)[C@H](N)CO)C(=O)[O-]	ZINC000069485976	574415538	/nfs/dbraw/zinc/41/55/38/574415538.db2.gz	LDEBVRIURYMKQS-LMVFSUKVSA-N	-1	1	206.198	-2.744	10	0	endogenous,in-man	BAAEMM
C[C@H](O)[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)[O-]	ZINC000069485995	574415608	/nfs/dbraw/zinc/41/56/08/574415608.db2.gz	UQTNIFUCMBFWEJ-RPDRRWSUSA-N	-1	1	233.224	-2.861	10	0	endogenous,in-vitro	BAAEMM
C[C@@H](O)[C@@H](N)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000069486080	574415622	/nfs/dbraw/zinc/41/56/22/574415622.db2.gz	GXDLGHLJTHMDII-UOWFLXDJSA-N	-1	1	206.198	-2.744	10	0	endogenous,in-vitro	BAAEMM
C[C@H](O)[C@H](N)C(=O)N[C@H](CO)C(=O)[O-]	ZINC000069486083	574415656	/nfs/dbraw/zinc/41/56/56/574415656.db2.gz	GXDLGHLJTHMDII-LMVFSUKVSA-N	-1	1	206.198	-2.744	10	0	endogenous,in-vitro	BAAEMM
C[C@@H](O)[C@@H](NC(=O)[C@@H](N)[C@H](C)O)C(=O)[O-]	ZINC000069486101	177013406	/nfs/dbraw/zinc/01/34/06/177013406.db2.gz	DSGIVWSDDRDJIO-BGPJRJDNSA-N	-1	1	220.225	-2.355	10	0	endogenous,in-vitro	BAAEMM
C[C@H](O)[C@@H](NC(=O)[C@@H](N)[C@H](C)O)C(=O)[O-]	ZINC000069486103	574415632	/nfs/dbraw/zinc/41/56/32/574415632.db2.gz	DSGIVWSDDRDJIO-OMMKOOBNSA-N	-1	1	220.225	-2.355	10	0	endogenous,in-vitro	BAAEMM
CS(=O)(=O)C=C1NN=C([S-])N1N	ZINC000069714604	373645033	/nfs/dbraw/zinc/64/50/33/373645033.db2.gz	CSSSCVORVBBBGN-UHFFFAOYSA-N	-1	1	208.268	-1.175	10	0		BAAEMM
NC(=O)CC[C@H](NC(=O)c1cnn[nH]1)C(=O)[O-]	ZINC000071215050	181227519	/nfs/dbraw/zinc/22/75/19/181227519.db2.gz	XJYQLXKWLIFJNP-BYPYZUCNSA-N	-1	1	241.207	-1.747	10	0		BAAEMM
O=C(CNC(=O)c1cnn[nH]1)N1CC[NH2+]CC1	ZINC000071215198	182121646	/nfs/dbraw/zinc/12/16/46/182121646.db2.gz	PRKAJLCFWDSQJY-UHFFFAOYSA-N	-1	1	238.251	-2.034	10	0		BAAEMM
CN1CCN(c2nc(N)c(C=O)c(=O)[n-]2)CC1	ZINC000072416224	132397527	/nfs/dbraw/zinc/39/75/27/132397527.db2.gz	GXZWTUYNZWSRGD-UHFFFAOYSA-N	-1	1	237.263	-1.084	10	0		BAAEMM
Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](C(=O)[O-])CN2	ZINC000082304869	388587181	/nfs/dbraw/zinc/58/71/81/388587181.db2.gz	XAUVAYMHNAPWPN-GSVOUGTGSA-N	-1	1	239.191	-1.806	10	0		BAAEMM
Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](C(=O)[O-])CN2	ZINC000082304872	388586891	/nfs/dbraw/zinc/58/68/91/388586891.db2.gz	XAUVAYMHNAPWPN-VKHMYHEASA-N	-1	1	239.191	-1.806	10	0		BAAEMM
Nc1nc(S(=O)(=O)CCCO)n[n-]1	ZINC000085343341	644441377	/nfs/dbraw/zinc/44/13/77/644441377.db2.gz	BYIHFCTUMHSJHI-UHFFFAOYSA-N	-1	1	206.227	-1.457	10	0		BAAEMM
Nc1n[n-]c(S(=O)(=O)CCCO)n1	ZINC000085343341	644441372	/nfs/dbraw/zinc/44/13/72/644441372.db2.gz	BYIHFCTUMHSJHI-UHFFFAOYSA-N	-1	1	206.227	-1.457	10	0		BAAEMM
O=C([O-])[C@H]1CNCCN1C(=O)c1cnccn1	ZINC000088661605	383918039	/nfs/dbraw/zinc/91/80/39/383918039.db2.gz	UMINKHXFHNUENR-MRVPVSSYSA-N	-1	1	236.231	-1.025	10	0		BAAEMM
O=C([O-])[C@@H]1CNCCN1C(=O)c1cnccn1	ZINC000088661607	383918660	/nfs/dbraw/zinc/91/86/60/383918660.db2.gz	UMINKHXFHNUENR-QMMMGPOBSA-N	-1	1	236.231	-1.025	10	0		BAAEMM
CC[N@H+]1C[C@@](N)(C(=O)[O-])C[C@H]1C(=O)[O-]	ZINC000090459192	170032904	/nfs/dbraw/zinc/03/29/04/170032904.db2.gz	IDVBYGZWDIPMSF-YLWLKBPMSA-N	-1	1	202.210	-1.053	10	0		BAAEMM
O=C([O-])[C@@H]1CN(C(=O)c2cnccn2)CCN1	ZINC000095078114	384356114	/nfs/dbraw/zinc/35/61/14/384356114.db2.gz	HKSQEYQAXSOZAG-QMMMGPOBSA-N	-1	1	236.231	-1.025	10	0		BAAEMM
O=C([O-])[C@H]1CN(C(=O)c2cnccn2)CCN1	ZINC000095078115	384355987	/nfs/dbraw/zinc/35/59/87/384355987.db2.gz	HKSQEYQAXSOZAG-MRVPVSSYSA-N	-1	1	236.231	-1.025	10	0		BAAEMM
C[C@H](O)[C@@H](O)C1=Nc2c(nc(N)[n-]c2=O)NC1	ZINC000095617487	574416992	/nfs/dbraw/zinc/41/69/92/574416992.db2.gz	FEMXZDUTFRTWPE-BBIVZNJYSA-N	-1	1	239.235	-1.408	10	0	endogenous,in-man	BAAEMM
N[C@H](CO)C(=O)N1C[C@@H](O)C[C@H]1C(=O)[O-]	ZINC000095617786	574417006	/nfs/dbraw/zinc/41/70/06/574417006.db2.gz	IISAHBYOIFITKV-JKUQZMGJSA-N	-1	1	218.209	-2.648	10	0	endogenous,in-man	BAAEMM
N[C@H](CO)C(=O)N1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC000095617787	574417011	/nfs/dbraw/zinc/41/70/11/574417011.db2.gz	IISAHBYOIFITKV-PBXRRBTRSA-N	-1	1	218.209	-2.648	10	0	endogenous,in-man	BAAEMM
N[C@H](CO)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617788	571796065	/nfs/dbraw/zinc/79/60/65/571796065.db2.gz	IISAHBYOIFITKV-KVQBGUIXSA-N	-1	1	218.209	-2.648	10	0	endogenous,in-man	BAAEMM
N[C@H](CO)C(=O)N1C[C@H](O)C[C@@H]1C(=O)[O-]	ZINC000095617789	571796123	/nfs/dbraw/zinc/79/61/23/571796123.db2.gz	IISAHBYOIFITKV-HSUXUTPPSA-N	-1	1	218.209	-2.648	10	0	endogenous,in-man	BAAEMM
CS(=O)(=O)N1CC[N-]S1(=O)=O	ZINC000095934937	384412916	/nfs/dbraw/zinc/41/29/16/384412916.db2.gz	YCDNCHCPYAPGAP-UHFFFAOYSA-N	-1	1	200.241	-1.904	10	0		BAAEMM
n1nc(-c2nnc(C3=NNNN3)nn2)n[n-]1	ZINC000103937551	181185535	/nfs/dbraw/zinc/18/55/35/181185535.db2.gz	ORRMJBBFOFPMEC-UHFFFAOYSA-N	-1	1	220.160	-3.279	10	0		BAAEMM
C[N@H+]1CC[C@H](C(=O)N(CC(=O)[O-])CC(=O)[O-])C1	ZINC000104338922	173141004	/nfs/dbraw/zinc/14/10/04/173141004.db2.gz	WLJSINQCZWYNRU-ZETCQYMHSA-N	-1	1	244.247	-1.064	10	0		BAAEMM
C[N@H+]1CC[C@@H](C(=O)N(CC(=O)[O-])CC(=O)[O-])C1	ZINC000104338928	173109473	/nfs/dbraw/zinc/10/94/73/173109473.db2.gz	WLJSINQCZWYNRU-SSDOTTSWSA-N	-1	1	244.247	-1.064	10	0		BAAEMM
O=C([O-])[C@@H](N[C@H]1CC(=O)NC1=O)C1CC1	ZINC000105227926	182785045	/nfs/dbraw/zinc/78/50/45/182785045.db2.gz	KNNWMMVSFCDBES-FSPLSTOPSA-N	-1	1	212.205	-1.146	10	0		BAAEMM
COCCO[N-]C(=O)[C@H]1CNC(=O)C1	ZINC000122266977	589573783	/nfs/dbraw/zinc/57/37/83/589573783.db2.gz	ACFUTWFBSKCYOV-ZCFIWIBFSA-N	-1	1	202.210	-1.183	10	0		BAAEMM
COCCO[N-]C(=O)[C@@H]1CNC(=O)C1	ZINC000122267182	589573764	/nfs/dbraw/zinc/57/37/64/589573764.db2.gz	ACFUTWFBSKCYOV-LURJTMIESA-N	-1	1	202.210	-1.183	10	0		BAAEMM
Cn1ncnc1NS(=O)(=O)CC(=O)[O-]	ZINC000127114782	342914798	/nfs/dbraw/zinc/91/47/98/342914798.db2.gz	SNBOXRKABGUSDS-UHFFFAOYSA-N	-1	1	220.210	-1.359	10	0		BAAEMM
NC(=O)[C@@H]([NH3+])Cn1cc(Cl)c(=O)[nH]c1=O	ZINC000127850437	344667521	/nfs/dbraw/zinc/66/75/21/344667521.db2.gz	WHUZBSVELCZYMR-BYPYZUCNSA-N	-1	1	232.627	-1.997	10	0		BAAEMM
NC(=O)[C@H]([NH3+])Cn1cc(Cl)c(=O)[nH]c1=O	ZINC000127850649	344667866	/nfs/dbraw/zinc/66/78/66/344667866.db2.gz	WHUZBSVELCZYMR-SCSAIBSYSA-N	-1	1	232.627	-1.997	10	0		BAAEMM
NC(=O)NCCn1c(=O)[n-][nH]c1=S	ZINC000133604048	372081511	/nfs/dbraw/zinc/08/15/11/372081511.db2.gz	IRASYXZQJPAWQV-UHFFFAOYSA-N	-1	1	203.227	-1.472	10	0		BAAEMM
O=C([O-])CNC(CO)(CO)COP	ZINC000144442836	343134955	/nfs/dbraw/zinc/13/49/55/343134955.db2.gz	DKZUGFDKGVMOPM-UHFFFAOYSA-N	-1	1	211.154	-1.809	10	0		BAAEMM
C[C@H](O)[C@@H](O)[C@H]1CN=c2nc(N)[n-]c(=O)c2=N1	ZINC000147878321	368308403	/nfs/dbraw/zinc/30/84/03/368308403.db2.gz	ZHQJVZLJDXWFFX-MRKVFDINSA-N	-1	1	239.235	-3.285	10	0	in-vitro	BAAEMM
COC(=O)Cn1c(=O)cc([O-])[nH]c1=O	ZINC000157694697	342820292	/nfs/dbraw/zinc/82/02/92/342820292.db2.gz	IIGMWJGVRIHTBO-UHFFFAOYSA-N	-1	1	200.150	-1.372	10	0		BAAEMM
NC(=O)Cn1c([O-])c(F)c(=O)[nH]c1=O	ZINC000159068351	347000252	/nfs/dbraw/zinc/00/02/52/347000252.db2.gz	PMQVYYXPEMYHRA-GSVOUGTGSA-N	-1	1	203.129	-2.112	10	0		BAAEMM
NC(=O)Cn1c([O-])c(F)c(=O)[nH]c1=O	ZINC000159068473	347000442	/nfs/dbraw/zinc/00/04/42/347000442.db2.gz	PMQVYYXPEMYHRA-VKHMYHEASA-N	-1	1	203.129	-2.112	10	0		BAAEMM
CS(=O)(=O)CS(=O)(=O)[N-]c1nc[nH]n1	ZINC000167587388	346283135	/nfs/dbraw/zinc/28/31/35/346283135.db2.gz	RNBUCWLAMKKIJG-UHFFFAOYSA-N	-1	1	240.266	-1.452	10	0		BAAEMM
COC(=O)[N-]S(=O)(=O)Nc1nc[nH]n1	ZINC000168565929	356422312	/nfs/dbraw/zinc/42/23/12/356422312.db2.gz	BXFRJBPXBDSUTM-UHFFFAOYSA-N	-1	1	221.198	-1.183	10	0		BAAEMM
CN1C(=O)O[C@@]2(C(=O)[N-]C(=O)N2C)C1=O	ZINC000169390661	345846617	/nfs/dbraw/zinc/84/66/17/345846617.db2.gz	YVDNYQPEGUHPRH-ZETCQYMHSA-N	-1	1	213.149	-1.527	10	0		BAAEMM
CN1C(=O)O[C@]2(C(=O)[N-]C(=O)N2C)C1=O	ZINC000169390663	345846232	/nfs/dbraw/zinc/84/62/32/345846232.db2.gz	YVDNYQPEGUHPRH-SSDOTTSWSA-N	-1	1	213.149	-1.527	10	0		BAAEMM
C[C@H](O)[C@@H](C(=O)[O-])N(CCO)CCO	ZINC000205230260	177003062	/nfs/dbraw/zinc/00/30/62/177003062.db2.gz	DEICPOZNWHMPSR-BQBZGAKWSA-N	-1	1	207.226	-1.893	10	0		BAAEMM
C[C@H](O)[C@H](C(=O)[O-])N(CCO)CCO	ZINC000205230289	177010156	/nfs/dbraw/zinc/01/01/56/177010156.db2.gz	DEICPOZNWHMPSR-NKWVEPMBSA-N	-1	1	207.226	-1.893	10	0		BAAEMM
CC(=O)Nc1c([O-])n(C)c(=O)n(C)c1=O	ZINC000205602755	187303809	/nfs/dbraw/zinc/30/38/09/187303809.db2.gz	AIFQEQRGHFIZQO-UHFFFAOYSA-N	-1	1	213.193	-1.459	10	0		BAAEMM
CC(=O)N[C@@](C)(NC(=O)CN)C(=O)[O-]	ZINC000211763173	187830376	/nfs/dbraw/zinc/83/03/76/187830376.db2.gz	YFSYBIYWHQOQNU-ZETCQYMHSA-N	-1	1	203.198	-2.002	10	0		BAAEMM
NC(=O)C[N-]S(=O)(=O)c1ccc[nH]c1=O	ZINC000229008288	526889414	/nfs/dbraw/zinc/88/94/14/526889414.db2.gz	PSDCPJNXNKKXLY-UHFFFAOYSA-N	-1	1	231.233	-1.862	10	0		BAAEMM
O=C1C[C@@H](n2c(=O)[n-][nH]c2=S)CN1	ZINC000229024909	372109250	/nfs/dbraw/zinc/10/92/50/372109250.db2.gz	MENWALWAQTXCGT-GSVOUGTGSA-N	-1	1	200.223	-1.079	10	0		BAAEMM
O=C1C[C@H](n2c(=O)[n-][nH]c2=S)CN1	ZINC000229024918	372109157	/nfs/dbraw/zinc/10/91/57/372109157.db2.gz	MENWALWAQTXCGT-VKHMYHEASA-N	-1	1	200.223	-1.079	10	0		BAAEMM
CCS(=O)(=O)[N-]C(=O)[C@@H]1CNCCO1	ZINC000233809452	342884243	/nfs/dbraw/zinc/88/42/43/342884243.db2.gz	SQHGPJAMRDDDEP-LURJTMIESA-N	-1	1	222.266	-1.559	10	0		BAAEMM
CCS(=O)(=O)[N-]C(=O)[C@H]1CNCCO1	ZINC000233810724	343066366	/nfs/dbraw/zinc/06/63/66/343066366.db2.gz	SQHGPJAMRDDDEP-ZCFIWIBFSA-N	-1	1	222.266	-1.559	10	0		BAAEMM
CCS(=O)(=O)[N-]C(=O)c1nnc(N)[nH]1	ZINC000233811716	343066427	/nfs/dbraw/zinc/06/64/27/343066427.db2.gz	LBPIJVSCJWNUBI-UHFFFAOYSA-N	-1	1	219.226	-1.534	10	0		BAAEMM
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COC(=O)N1CCN[C@H](c2nn[n-]n2)C1	ZINC000616632601	351112955	/nfs/dbraw/zinc/11/29/55/351112955.db2.gz	RRSSQOORZAJXDA-YFKPBYRVSA-N	-1	1	212.213	-1.088	10	0		BAAEMM
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COC(=O)N1CCNC[C@H]1c1nn[n-]n1	ZINC000616635757	351121056	/nfs/dbraw/zinc/12/10/56/351121056.db2.gz	LXPSFJMDIQDXHH-YFKPBYRVSA-N	-1	1	212.213	-1.088	10	0		BAAEMM
COC(=O)N1CCNC[C@@H]1c1nn[n-]n1	ZINC000616636392	351126030	/nfs/dbraw/zinc/12/60/30/351126030.db2.gz	LXPSFJMDIQDXHH-RXMQYKEDSA-N	-1	1	212.213	-1.088	10	0		BAAEMM
CS(=O)(=O)N1CCNC[C@H]1c1nn[n-]n1	ZINC000616639686	351143304	/nfs/dbraw/zinc/14/33/04/351143304.db2.gz	YMXDHKHOMGNCPN-YFKPBYRVSA-N	-1	1	232.269	-1.894	10	0		BAAEMM
CS(=O)(=O)N1CCNC[C@@H]1c1nn[n-]n1	ZINC000616640218	351145528	/nfs/dbraw/zinc/14/55/28/351145528.db2.gz	YMXDHKHOMGNCPN-RXMQYKEDSA-N	-1	1	232.269	-1.894	10	0		BAAEMM
NS(=O)(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC000616640946	351148424	/nfs/dbraw/zinc/14/84/24/351148424.db2.gz	CYMFQNGQAKDJNY-SCSAIBSYSA-N	-1	1	234.241	-2.224	10	0		BAAEMM
CS(=O)(=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC000616641859	351152415	/nfs/dbraw/zinc/15/24/15/351152415.db2.gz	OZPWSCMVVDPUGV-RXMQYKEDSA-N	-1	1	233.253	-1.467	10	0		BAAEMM
CS(=O)(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC000616642545	351153096	/nfs/dbraw/zinc/15/30/96/351153096.db2.gz	OZPWSCMVVDPUGV-YFKPBYRVSA-N	-1	1	233.253	-1.467	10	0		BAAEMM
NS(=O)(=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC000616642633	351153953	/nfs/dbraw/zinc/15/39/53/351153953.db2.gz	CYMFQNGQAKDJNY-BYPYZUCNSA-N	-1	1	234.241	-2.224	10	0		BAAEMM
CS(=O)(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000616643989	351159934	/nfs/dbraw/zinc/15/99/34/351159934.db2.gz	NDJCBFIDDYACLT-YFKPBYRVSA-N	-1	1	233.253	-1.467	10	0		BAAEMM
NS(=O)(=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC000616644327	351163294	/nfs/dbraw/zinc/16/32/94/351163294.db2.gz	NLDLOSRSFARYAL-BYPYZUCNSA-N	-1	1	234.241	-2.224	10	0		BAAEMM
OCCN1CCCOC[C@H]1c1nn[n-]n1	ZINC000616645573	351168682	/nfs/dbraw/zinc/16/86/82/351168682.db2.gz	PAFRVQMZVJTPJO-ZETCQYMHSA-N	-1	1	213.241	-1.045	10	0		BAAEMM
CS(=O)(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000616645708	351168641	/nfs/dbraw/zinc/16/86/41/351168641.db2.gz	NDJCBFIDDYACLT-RXMQYKEDSA-N	-1	1	233.253	-1.467	10	0		BAAEMM
OCCN1CCCOC[C@@H]1c1nn[n-]n1	ZINC000616646169	351170646	/nfs/dbraw/zinc/17/06/46/351170646.db2.gz	PAFRVQMZVJTPJO-SSDOTTSWSA-N	-1	1	213.241	-1.045	10	0		BAAEMM
NS(=O)(=O)N1CCO[C@@H](c2nn[n-]n2)C1	ZINC000616646337	351170447	/nfs/dbraw/zinc/17/04/47/351170447.db2.gz	NLDLOSRSFARYAL-SCSAIBSYSA-N	-1	1	234.241	-2.224	10	0		BAAEMM
NS(=O)(=O)N1CCCOC[C@@H]1c1nn[n-]n1	ZINC000616646991	351164103	/nfs/dbraw/zinc/16/41/03/351164103.db2.gz	HRWNCZGXUYHPQG-RXMQYKEDSA-N	-1	1	248.268	-1.833	10	0		BAAEMM
CS(=O)(=O)N1CCCOC[C@@H]1c1nn[n-]n1	ZINC000616647532	351174295	/nfs/dbraw/zinc/17/42/95/351174295.db2.gz	GMMXBPRQDABECM-ZCFIWIBFSA-N	-1	1	247.280	-1.077	10	0		BAAEMM
CS(=O)(=O)N1CCCOC[C@H]1c1nn[n-]n1	ZINC000616647789	351174793	/nfs/dbraw/zinc/17/47/93/351174793.db2.gz	GMMXBPRQDABECM-LURJTMIESA-N	-1	1	247.280	-1.077	10	0		BAAEMM
CS(=O)(=O)N1CCCO[C@H](c2nn[n-]n2)C1	ZINC000616651565	351182776	/nfs/dbraw/zinc/18/27/76/351182776.db2.gz	VPDDVLJHTCIUGP-LURJTMIESA-N	-1	1	247.280	-1.077	10	0		BAAEMM
NS(=O)(=O)N1CCCOC[C@H]1c1nn[n-]n1	ZINC000616652016	351189802	/nfs/dbraw/zinc/18/98/02/351189802.db2.gz	HRWNCZGXUYHPQG-YFKPBYRVSA-N	-1	1	248.268	-1.833	10	0		BAAEMM
NS(=O)(=O)N1CCCO[C@H](c2nn[n-]n2)C1	ZINC000616652185	351190802	/nfs/dbraw/zinc/19/08/02/351190802.db2.gz	UKZJWGWWLFXEEZ-YFKPBYRVSA-N	-1	1	248.268	-1.833	10	0		BAAEMM
NS(=O)(=O)N1CCN[C@@H](c2nn[n-]n2)C1	ZINC000616653124	351186999	/nfs/dbraw/zinc/18/69/99/351186999.db2.gz	HYZLIBPJOQEYGH-SCSAIBSYSA-N	-1	1	233.257	-2.651	10	0		BAAEMM
OCCN1CCCO[C@@H](c2nnn[n-]2)C1	ZINC000616653356	343531988	/nfs/dbraw/zinc/53/19/88/343531988.db2.gz	MTYRSUHQTRHNFP-SSDOTTSWSA-N	-1	1	213.241	-1.045	10	0		BAAEMM
CS(=O)(=O)N1CCCO[C@@H](c2nn[n-]n2)C1	ZINC000616655173	351192836	/nfs/dbraw/zinc/19/28/36/351192836.db2.gz	VPDDVLJHTCIUGP-ZCFIWIBFSA-N	-1	1	247.280	-1.077	10	0		BAAEMM
NS(=O)(=O)N1CCOCC[C@H]1c1nn[n-]n1	ZINC000616657482	351198974	/nfs/dbraw/zinc/19/89/74/351198974.db2.gz	CSKYQPNMSXOQKK-YFKPBYRVSA-N	-1	1	248.268	-1.833	10	0		BAAEMM
OCCN1CCOCC[C@H]1c1nn[n-]n1	ZINC000616657887	351199678	/nfs/dbraw/zinc/19/96/78/351199678.db2.gz	ZAXGABXKSNBHCK-ZETCQYMHSA-N	-1	1	213.241	-1.045	10	0		BAAEMM
NS(=O)(=O)N1CCOCC[C@@H]1c1nn[n-]n1	ZINC000616658732	351205136	/nfs/dbraw/zinc/20/51/36/351205136.db2.gz	CSKYQPNMSXOQKK-RXMQYKEDSA-N	-1	1	248.268	-1.833	10	0		BAAEMM
NS(=O)(=O)N1CCCO[C@@H](c2nn[n-]n2)C1	ZINC000616660955	351213888	/nfs/dbraw/zinc/21/38/88/351213888.db2.gz	UKZJWGWWLFXEEZ-RXMQYKEDSA-N	-1	1	248.268	-1.833	10	0		BAAEMM
CS(=O)(=O)N1CCOCC[C@H]1c1nn[n-]n1	ZINC000616661137	351214172	/nfs/dbraw/zinc/21/41/72/351214172.db2.gz	ZKPRUBLTAAJHQT-LURJTMIESA-N	-1	1	247.280	-1.077	10	0		BAAEMM
CS(=O)(=O)N1CCOCC[C@@H]1c1nn[n-]n1	ZINC000616661821	343533926	/nfs/dbraw/zinc/53/39/26/343533926.db2.gz	ZKPRUBLTAAJHQT-ZCFIWIBFSA-N	-1	1	247.280	-1.077	10	0		BAAEMM
CS(=O)(=O)N1CCOC[C@@H](c2nn[n-]n2)C1	ZINC000616663272	351215387	/nfs/dbraw/zinc/21/53/87/351215387.db2.gz	KEUBIBDWGJZHBE-LURJTMIESA-N	-1	1	247.280	-1.425	10	0		BAAEMM
CS(=O)(=O)N1CCOC[C@H](c2nn[n-]n2)C1	ZINC000616663337	351215251	/nfs/dbraw/zinc/21/52/51/351215251.db2.gz	KEUBIBDWGJZHBE-ZCFIWIBFSA-N	-1	1	247.280	-1.425	10	0		BAAEMM
NC(=O)N1CCOC[C@H](c2nn[n-]n2)C1	ZINC000616664687	351220992	/nfs/dbraw/zinc/22/09/92/351220992.db2.gz	ZGEHUKDDQHMFPF-RXMQYKEDSA-N	-1	1	212.213	-1.306	10	0		BAAEMM
NC(=O)N1CCOC[C@@H](c2nn[n-]n2)C1	ZINC000616664807	351220668	/nfs/dbraw/zinc/22/06/68/351220668.db2.gz	ZGEHUKDDQHMFPF-YFKPBYRVSA-N	-1	1	212.213	-1.306	10	0		BAAEMM
CS(=O)(=O)N1CCO[C@@H](c2nn[n-]n2)CC1	ZINC000616665136	351221646	/nfs/dbraw/zinc/22/16/46/351221646.db2.gz	NZWOWACLFUAFNZ-ZCFIWIBFSA-N	-1	1	247.280	-1.077	10	0		BAAEMM
NS(=O)(=O)N1CCO[C@@H](c2nn[n-]n2)CC1	ZINC000616665333	351222215	/nfs/dbraw/zinc/22/22/15/351222215.db2.gz	SXWASKGIHCWVJE-RXMQYKEDSA-N	-1	1	248.268	-1.833	10	0		BAAEMM
OCCN1CCO[C@H](c2nnn[n-]2)CC1	ZINC000616665633	351223553	/nfs/dbraw/zinc/22/35/53/351223553.db2.gz	PLLYYEOZLCKBSH-ZETCQYMHSA-N	-1	1	213.241	-1.045	10	0		BAAEMM
OCC[N@H+]1CCO[C@H](c2nnn[n-]2)CC1	ZINC000616665633	351223549	/nfs/dbraw/zinc/22/35/49/351223549.db2.gz	PLLYYEOZLCKBSH-ZETCQYMHSA-N	-1	1	213.241	-1.045	10	0		BAAEMM
OCCN1CCO[C@@H](c2nnn[n-]2)CC1	ZINC000616666357	351226507	/nfs/dbraw/zinc/22/65/07/351226507.db2.gz	PLLYYEOZLCKBSH-SSDOTTSWSA-N	-1	1	213.241	-1.045	10	0		BAAEMM
CS(=O)(=O)N1CCO[C@H](c2nn[n-]n2)CC1	ZINC000616666628	351226599	/nfs/dbraw/zinc/22/65/99/351226599.db2.gz	NZWOWACLFUAFNZ-LURJTMIESA-N	-1	1	247.280	-1.077	10	0		BAAEMM
NS(=O)(=O)N1CCO[C@H](c2nn[n-]n2)CC1	ZINC000616666726	351227472	/nfs/dbraw/zinc/22/74/72/351227472.db2.gz	SXWASKGIHCWVJE-YFKPBYRVSA-N	-1	1	248.268	-1.833	10	0		BAAEMM
OCCN1CCCO[C@H](c2nnn[n-]2)C1	ZINC000616680083	369111562	/nfs/dbraw/zinc/11/15/62/369111562.db2.gz	MTYRSUHQTRHNFP-ZETCQYMHSA-N	-1	1	213.241	-1.045	10	0		BAAEMM
C[C@]1(C(=O)[N-]S(C)(=O)=O)CNCCO1	ZINC000710707862	712254768	/nfs/dbraw/zinc/25/47/68/712254768.db2.gz	BFDMOMFXDCQTLN-SSDOTTSWSA-N	-1	1	222.266	-1.559	10	0		BAAEMM
C[C@@]1(C(=O)[N-]S(C)(=O)=O)CNCCO1	ZINC000710707864	712255126	/nfs/dbraw/zinc/25/51/26/712255126.db2.gz	BFDMOMFXDCQTLN-ZETCQYMHSA-N	-1	1	222.266	-1.559	10	0		BAAEMM